USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 953 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN : amide:sc= -0.0902 X(o=-0.12,f=0.05) USER MOD Set 1.2: A 29 GLN : amide:sc= -0.0315 K(o=-0.12,f=-2.2!) USER MOD Set 2.1: A 25 THR OG1 : rot 174:sc= 1.22 USER MOD Set 2.2: A 27 HIS : no HD1:sc= -0.216 X(o=5.2,f=5.2) USER MOD Set 2.3: A 117 TYR OH : rot -73:sc= 2.34 USER MOD Set 2.4: A 121 CYS SG : rot 125:sc= 1.87 USER MOD Set 3.1: A 7 THR OG1 : rot -73:sc= 0.714 USER MOD Set 3.2: A 9 THR OG1 : rot 102:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00979) USER MOD Single : A 3 MET CE :methyl 176:sc= 0 (180deg=-0.0232) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 2.21 (180deg=2.21) USER MOD Single : A 6 TYR OH : rot 132:sc= 1.04 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.506 K(o=-0.51,f=-1.8) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -172:sc= -1.21 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -52:sc= 1.14 USER MOD Single : A 58 SER OG : rot 110:sc= 0.0796 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0604 USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.435) USER MOD Single : A 77 ASN : amide:sc= 0.496 K(o=0.5,f=-1.5) USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= -0.0869 (180deg=-0.453) USER MOD Single : A 82 THR OG1 : rot -5:sc= 0.769 USER MOD Single : A 88 ASN : amide:sc= 0.786 K(o=0.79,f=0) USER MOD Single : A 89 LYS NZ :NH3+ -125:sc= -0.147 (180deg=-0.59) USER MOD Single : A 99 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.03) USER MOD Single : A 100 MET CE :methyl -173:sc= -1.28 (180deg=-1.59) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.490 -3.320 -11.229 1.00 0.00 N ATOM 2 CA MET A 1 17.125 -1.979 -11.701 1.00 0.00 C ATOM 3 C MET A 1 15.617 -1.824 -11.528 1.00 0.00 C ATOM 4 O MET A 1 14.859 -2.494 -12.237 1.00 0.00 O ATOM 5 CB MET A 1 17.607 -1.776 -13.149 1.00 0.00 C ATOM 6 CG MET A 1 17.971 -0.326 -13.464 1.00 0.00 C ATOM 7 SD MET A 1 16.557 0.780 -13.634 1.00 0.00 S ATOM 8 CE MET A 1 17.394 2.261 -14.254 1.00 0.00 C ATOM 0 H1 MET A 1 18.515 -3.458 -11.334 1.00 0.00 H new ATOM 0 H2 MET A 1 17.228 -3.419 -10.227 1.00 0.00 H new ATOM 0 H3 MET A 1 16.985 -4.035 -11.791 1.00 0.00 H new ATOM 0 HA MET A 1 17.615 -1.198 -11.120 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.476 -2.409 -13.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.826 -2.105 -13.835 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.619 0.052 -12.674 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.548 -0.302 -14.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.662 3.052 -14.416 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.133 2.594 -13.525 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.892 2.030 -15.195 1.00 0.00 H new ATOM 18 N LYS A 2 15.169 -1.007 -10.558 1.00 0.00 N ATOM 19 CA LYS A 2 13.771 -0.905 -10.078 1.00 0.00 C ATOM 20 C LYS A 2 13.341 -2.228 -9.409 1.00 0.00 C ATOM 21 O LYS A 2 13.973 -3.271 -9.617 1.00 0.00 O ATOM 22 CB LYS A 2 12.826 -0.427 -11.204 1.00 0.00 C ATOM 23 CG LYS A 2 13.297 0.891 -11.863 1.00 0.00 C ATOM 24 CD LYS A 2 13.153 0.924 -13.388 1.00 0.00 C ATOM 25 CE LYS A 2 11.769 1.413 -13.806 1.00 0.00 C ATOM 26 NZ LYS A 2 11.685 2.885 -13.708 1.00 0.00 N ATOM 0 H LYS A 2 15.795 -0.371 -10.063 1.00 0.00 H new ATOM 0 HA LYS A 2 13.704 -0.137 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.754 -1.203 -11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.825 -0.287 -10.797 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.728 1.718 -11.439 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.343 1.058 -11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.915 1.577 -13.813 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.326 -0.073 -13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.560 1.099 -14.829 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.009 0.957 -13.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.700 3.165 -13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.290 3.216 -12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.005 3.311 -14.601 1.00 0.00 H new ATOM 40 N MET A 3 12.327 -2.218 -8.541 1.00 0.00 N ATOM 41 CA MET A 3 12.001 -3.344 -7.657 1.00 0.00 C ATOM 42 C MET A 3 10.558 -3.256 -7.143 1.00 0.00 C ATOM 43 O MET A 3 9.885 -2.238 -7.321 1.00 0.00 O ATOM 44 CB MET A 3 13.005 -3.378 -6.491 1.00 0.00 C ATOM 45 CG MET A 3 13.036 -2.104 -5.646 1.00 0.00 C ATOM 46 SD MET A 3 14.686 -1.543 -5.151 1.00 0.00 S ATOM 47 CE MET A 3 15.299 -0.882 -6.721 1.00 0.00 C ATOM 0 H MET A 3 11.701 -1.420 -8.429 1.00 0.00 H new ATOM 0 HA MET A 3 12.077 -4.272 -8.224 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.764 -4.222 -5.845 1.00 0.00 H new ATOM 0 HB3 MET A 3 14.003 -3.558 -6.892 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.551 -1.304 -6.206 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.442 -2.269 -4.747 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.280 -0.432 -6.568 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.379 -1.689 -7.449 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.607 -0.126 -7.092 1.00 0.00 H new ATOM 57 N LYS A 4 10.063 -4.332 -6.527 1.00 0.00 N ATOM 58 CA LYS A 4 8.665 -4.511 -6.149 1.00 0.00 C ATOM 59 C LYS A 4 8.546 -5.582 -5.053 1.00 0.00 C ATOM 60 O LYS A 4 8.099 -6.699 -5.336 1.00 0.00 O ATOM 61 CB LYS A 4 7.858 -4.855 -7.416 1.00 0.00 C ATOM 62 CG LYS A 4 6.345 -4.989 -7.195 1.00 0.00 C ATOM 63 CD LYS A 4 5.745 -5.996 -8.182 1.00 0.00 C ATOM 64 CE LYS A 4 4.281 -5.660 -8.445 1.00 0.00 C ATOM 65 NZ LYS A 4 4.149 -4.641 -9.503 1.00 0.00 N ATOM 0 H LYS A 4 10.647 -5.128 -6.270 1.00 0.00 H new ATOM 0 HA LYS A 4 8.255 -3.594 -5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.035 -4.083 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.236 -5.791 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.148 -5.312 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.866 -4.018 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.304 -5.978 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.828 -7.006 -7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.745 -6.563 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.818 -5.297 -7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.142 -4.432 -9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.641 -3.772 -9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.570 -4.999 -10.384 1.00 0.00 H new ATOM 79 N LYS A 5 8.993 -5.316 -3.816 1.00 0.00 N ATOM 80 CA LYS A 5 8.737 -6.260 -2.710 1.00 0.00 C ATOM 81 C LYS A 5 7.326 -6.106 -2.101 1.00 0.00 C ATOM 82 O LYS A 5 6.566 -5.244 -2.531 1.00 0.00 O ATOM 83 CB LYS A 5 9.856 -6.154 -1.670 1.00 0.00 C ATOM 84 CG LYS A 5 11.249 -6.500 -2.257 1.00 0.00 C ATOM 85 CD LYS A 5 12.069 -7.537 -1.470 1.00 0.00 C ATOM 86 CE LYS A 5 11.833 -8.961 -1.974 1.00 0.00 C ATOM 87 NZ LYS A 5 12.559 -9.969 -1.173 1.00 0.00 N ATOM 0 H LYS A 5 9.519 -4.481 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 5 8.749 -7.272 -3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.877 -5.142 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.639 -6.825 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.112 -6.869 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.831 -5.581 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.129 -7.296 -1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.807 -7.479 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.766 -9.180 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.148 -9.032 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.368 -10.918 -1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.580 -9.778 -1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.241 -9.922 -0.184 1.00 0.00 H new ATOM 101 N TYR A 6 6.958 -6.957 -1.133 1.00 0.00 N ATOM 102 CA TYR A 6 5.620 -7.114 -0.536 1.00 0.00 C ATOM 103 C TYR A 6 5.683 -7.155 0.992 1.00 0.00 C ATOM 104 O TYR A 6 6.746 -7.404 1.570 1.00 0.00 O ATOM 105 CB TYR A 6 4.979 -8.422 -1.027 1.00 0.00 C ATOM 106 CG TYR A 6 4.519 -8.388 -2.461 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.479 -8.322 -3.480 1.00 0.00 C ATOM 108 CD2 TYR A 6 3.147 -8.370 -2.777 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.083 -8.054 -4.789 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.741 -8.201 -4.111 1.00 0.00 C ATOM 111 CZ TYR A 6 3.714 -7.955 -5.102 1.00 0.00 C ATOM 112 OH TYR A 6 3.347 -7.572 -6.345 1.00 0.00 O ATOM 0 H TYR A 6 7.632 -7.599 -0.716 1.00 0.00 H new ATOM 0 HA TYR A 6 5.026 -6.253 -0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.698 -9.232 -0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.126 -8.656 -0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.523 -8.478 -3.251 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.410 -8.486 -1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.825 -7.922 -5.562 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.695 -8.259 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 6 2.663 -8.184 -6.687 1.00 0.00 H new ATOM 122 N THR A 7 4.555 -6.919 1.667 1.00 0.00 N ATOM 123 CA THR A 7 4.460 -6.818 3.112 1.00 0.00 C ATOM 124 C THR A 7 3.861 -8.098 3.677 1.00 0.00 C ATOM 125 O THR A 7 3.359 -8.977 2.972 1.00 0.00 O ATOM 126 CB THR A 7 3.531 -5.660 3.529 1.00 0.00 C ATOM 127 OG1 THR A 7 2.250 -5.974 3.040 1.00 0.00 O ATOM 128 CG2 THR A 7 3.945 -4.270 3.062 1.00 0.00 C ATOM 0 H THR A 7 3.657 -6.790 1.200 1.00 0.00 H new ATOM 0 HA THR A 7 5.466 -6.645 3.494 1.00 0.00 H new ATOM 0 HB THR A 7 3.574 -5.587 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.233 -5.854 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.219 -3.537 3.413 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.928 -4.029 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.984 -4.249 1.973 1.00 0.00 H new ATOM 136 N LYS A 8 3.799 -8.098 4.997 1.00 0.00 N ATOM 137 CA LYS A 8 3.112 -9.067 5.827 1.00 0.00 C ATOM 138 C LYS A 8 1.766 -8.477 6.302 1.00 0.00 C ATOM 139 O LYS A 8 1.194 -8.959 7.280 1.00 0.00 O ATOM 140 CB LYS A 8 4.057 -9.515 6.964 1.00 0.00 C ATOM 141 CG LYS A 8 5.554 -9.656 6.571 1.00 0.00 C ATOM 142 CD LYS A 8 6.207 -11.014 6.809 1.00 0.00 C ATOM 143 CE LYS A 8 6.122 -11.443 8.267 1.00 0.00 C ATOM 144 NZ LYS A 8 7.254 -12.312 8.626 1.00 0.00 N ATOM 0 H LYS A 8 4.257 -7.374 5.551 1.00 0.00 H new ATOM 0 HA LYS A 8 2.858 -9.968 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.980 -8.798 7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.708 -10.474 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.651 -9.414 5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.121 -8.906 7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.723 -11.763 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.253 -10.971 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.116 -10.562 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.184 -11.970 8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.174 -12.591 9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.243 -13.162 8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.146 -11.798 8.481 1.00 0.00 H new ATOM 158 N THR A 9 1.248 -7.438 5.633 1.00 0.00 N ATOM 159 CA THR A 9 -0.003 -6.751 5.954 1.00 0.00 C ATOM 160 C THR A 9 -0.827 -6.541 4.675 1.00 0.00 C ATOM 161 O THR A 9 -1.377 -5.467 4.456 1.00 0.00 O ATOM 162 CB THR A 9 0.305 -5.425 6.691 1.00 0.00 C ATOM 163 OG1 THR A 9 1.134 -4.566 5.927 1.00 0.00 O ATOM 164 CG2 THR A 9 1.011 -5.662 8.030 1.00 0.00 C ATOM 0 H THR A 9 1.713 -7.038 4.818 1.00 0.00 H new ATOM 0 HA THR A 9 -0.606 -7.362 6.626 1.00 0.00 H new ATOM 0 HB THR A 9 -0.667 -4.960 6.853 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.588 -3.862 5.519 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.208 -4.704 8.512 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.375 -6.269 8.674 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.954 -6.182 7.857 1.00 0.00 H new ATOM 172 N HIS A 10 -0.927 -7.564 3.814 1.00 0.00 N ATOM 173 CA HIS A 10 -1.687 -7.550 2.553 1.00 0.00 C ATOM 174 C HIS A 10 -1.533 -6.234 1.769 1.00 0.00 C ATOM 175 O HIS A 10 -2.513 -5.562 1.418 1.00 0.00 O ATOM 176 CB HIS A 10 -3.154 -7.957 2.810 1.00 0.00 C ATOM 177 CG HIS A 10 -3.819 -7.180 3.905 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.127 -5.841 3.835 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.061 -7.620 5.172 1.00 0.00 C ATOM 180 CE1 HIS A 10 -4.545 -5.464 5.054 1.00 0.00 C ATOM 181 NE2 HIS A 10 -4.542 -6.535 5.875 1.00 0.00 N ATOM 0 H HIS A 10 -0.464 -8.457 3.982 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.256 -8.300 1.890 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.723 -7.827 1.889 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.188 -9.018 3.059 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.052 -5.245 3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.907 -8.620 5.550 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.837 -4.462 5.333 1.00 0.00 H new ATOM 190 N GLU A 11 -0.281 -5.881 1.499 1.00 0.00 N ATOM 191 CA GLU A 11 0.152 -4.690 0.793 1.00 0.00 C ATOM 192 C GLU A 11 1.377 -5.074 -0.052 1.00 0.00 C ATOM 193 O GLU A 11 2.273 -5.772 0.427 1.00 0.00 O ATOM 194 CB GLU A 11 0.474 -3.570 1.807 1.00 0.00 C ATOM 195 CG GLU A 11 -0.765 -2.887 2.397 1.00 0.00 C ATOM 196 CD GLU A 11 -0.386 -2.042 3.613 1.00 0.00 C ATOM 197 OE1 GLU A 11 0.018 -0.885 3.375 1.00 0.00 O ATOM 198 OE2 GLU A 11 -0.419 -2.548 4.761 1.00 0.00 O ATOM 0 H GLU A 11 0.507 -6.460 1.788 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.630 -4.308 0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.067 -3.990 2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.092 -2.818 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.234 -2.257 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.499 -3.639 2.685 1.00 0.00 H new ATOM 205 N TRP A 12 1.419 -4.654 -1.313 1.00 0.00 N ATOM 206 CA TRP A 12 2.599 -4.690 -2.175 1.00 0.00 C ATOM 207 C TRP A 12 3.342 -3.356 -2.071 1.00 0.00 C ATOM 208 O TRP A 12 2.825 -2.391 -1.490 1.00 0.00 O ATOM 209 CB TRP A 12 2.149 -4.934 -3.619 1.00 0.00 C ATOM 210 CG TRP A 12 1.088 -4.012 -4.122 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.224 -4.314 -4.136 1.00 0.00 C ATOM 212 CD2 TRP A 12 1.187 -2.649 -4.638 1.00 0.00 C ATOM 213 NE1 TRP A 12 -0.937 -3.236 -4.593 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.123 -2.206 -4.970 1.00 0.00 C ATOM 215 CE3 TRP A 12 2.231 -1.735 -4.875 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.382 -0.968 -5.557 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.968 -0.451 -5.382 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.670 -0.072 -5.750 1.00 0.00 C ATOM 0 H TRP A 12 0.601 -4.264 -1.782 1.00 0.00 H new ATOM 0 HA TRP A 12 3.269 -5.492 -1.865 1.00 0.00 H new ATOM 0 HB2 TRP A 12 3.018 -4.851 -4.272 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.785 -5.958 -3.700 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.649 -5.260 -3.834 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -1.955 -3.207 -4.645 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.250 -2.025 -4.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.385 -0.706 -5.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.779 0.254 -5.490 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.486 0.902 -6.178 1.00 0.00 H new ATOM 229 N VAL A 13 4.523 -3.268 -2.677 1.00 0.00 N ATOM 230 CA VAL A 13 5.325 -2.059 -2.759 1.00 0.00 C ATOM 231 C VAL A 13 5.912 -2.008 -4.164 1.00 0.00 C ATOM 232 O VAL A 13 6.218 -3.053 -4.733 1.00 0.00 O ATOM 233 CB VAL A 13 6.483 -2.130 -1.704 1.00 0.00 C ATOM 234 CG1 VAL A 13 7.223 -0.822 -1.432 1.00 0.00 C ATOM 235 CG2 VAL A 13 6.078 -2.736 -0.353 1.00 0.00 C ATOM 0 H VAL A 13 4.959 -4.066 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 13 4.724 -1.172 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 13 7.171 -2.803 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.001 -0.992 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.677 -0.462 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.520 -0.077 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.940 -2.746 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.282 -2.137 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.724 -3.756 -0.503 1.00 0.00 H new ATOM 245 N SER A 14 6.117 -0.809 -4.706 1.00 0.00 N ATOM 246 CA SER A 14 6.619 -0.625 -6.066 1.00 0.00 C ATOM 247 C SER A 14 7.653 0.495 -6.139 1.00 0.00 C ATOM 248 O SER A 14 7.300 1.656 -6.348 1.00 0.00 O ATOM 249 CB SER A 14 5.437 -0.304 -6.967 1.00 0.00 C ATOM 250 OG SER A 14 5.034 -1.431 -7.718 1.00 0.00 O ATOM 0 H SER A 14 5.939 0.065 -4.212 1.00 0.00 H new ATOM 0 HA SER A 14 7.114 -1.540 -6.390 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.602 0.048 -6.361 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.704 0.508 -7.643 1.00 0.00 H new ATOM 0 HG SER A 14 4.272 -1.191 -8.285 1.00 0.00 H new ATOM 256 N ILE A 15 8.930 0.173 -5.978 1.00 0.00 N ATOM 257 CA ILE A 15 10.030 1.126 -5.912 1.00 0.00 C ATOM 258 C ILE A 15 10.627 1.230 -7.304 1.00 0.00 C ATOM 259 O ILE A 15 11.311 0.328 -7.783 1.00 0.00 O ATOM 260 CB ILE A 15 11.012 0.723 -4.793 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.312 1.053 -3.464 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.361 1.464 -4.863 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.845 0.318 -2.244 1.00 0.00 C ATOM 0 H ILE A 15 9.239 -0.795 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 15 9.705 2.128 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 15 11.251 -0.335 -4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 15 10.395 2.125 -3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.250 0.828 -3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.002 1.131 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.846 1.248 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.191 2.537 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.283 0.623 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.736 -0.757 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.899 0.560 -2.105 1.00 0.00 H new ATOM 275 N GLU A 16 10.292 2.318 -7.993 1.00 0.00 N ATOM 276 CA GLU A 16 10.901 2.636 -9.274 1.00 0.00 C ATOM 277 C GLU A 16 12.276 3.250 -9.038 1.00 0.00 C ATOM 278 O GLU A 16 13.268 2.538 -9.190 1.00 0.00 O ATOM 279 CB GLU A 16 9.943 3.439 -10.173 1.00 0.00 C ATOM 280 CG GLU A 16 9.231 4.676 -9.573 1.00 0.00 C ATOM 281 CD GLU A 16 7.798 4.875 -10.108 1.00 0.00 C ATOM 282 OE1 GLU A 16 7.513 4.505 -11.274 1.00 0.00 O ATOM 283 OE2 GLU A 16 6.927 5.360 -9.347 1.00 0.00 O ATOM 0 H GLU A 16 9.597 2.996 -7.680 1.00 0.00 H new ATOM 0 HA GLU A 16 11.079 1.731 -9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.507 3.771 -11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.174 2.755 -10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.196 4.575 -8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.820 5.567 -9.791 1.00 0.00 H new ATOM 290 N ASP A 17 12.359 4.520 -8.634 1.00 0.00 N ATOM 291 CA ASP A 17 13.653 5.154 -8.376 1.00 0.00 C ATOM 292 C ASP A 17 13.851 5.294 -6.877 1.00 0.00 C ATOM 293 O ASP A 17 14.431 4.411 -6.248 1.00 0.00 O ATOM 294 CB ASP A 17 13.824 6.455 -9.192 1.00 0.00 C ATOM 295 CG ASP A 17 15.278 6.721 -9.610 1.00 0.00 C ATOM 296 OD1 ASP A 17 16.119 5.792 -9.563 1.00 0.00 O ATOM 297 OD2 ASP A 17 15.581 7.848 -10.058 1.00 0.00 O ATOM 0 H ASP A 17 11.552 5.125 -8.480 1.00 0.00 H new ATOM 0 HA ASP A 17 14.465 4.521 -8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.200 6.401 -10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.463 7.297 -8.601 1.00 0.00 H new ATOM 302 N LYS A 18 13.287 6.341 -6.279 1.00 0.00 N ATOM 303 CA LYS A 18 13.450 6.654 -4.855 1.00 0.00 C ATOM 304 C LYS A 18 12.105 6.689 -4.137 1.00 0.00 C ATOM 305 O LYS A 18 12.010 7.214 -3.031 1.00 0.00 O ATOM 306 CB LYS A 18 14.199 7.985 -4.698 1.00 0.00 C ATOM 307 CG LYS A 18 15.578 7.962 -5.382 1.00 0.00 C ATOM 308 CD LYS A 18 16.247 9.335 -5.444 1.00 0.00 C ATOM 309 CE LYS A 18 16.448 9.960 -4.059 1.00 0.00 C ATOM 310 NZ LYS A 18 15.828 11.292 -3.970 1.00 0.00 N ATOM 0 H LYS A 18 12.695 7.007 -6.774 1.00 0.00 H new ATOM 0 HA LYS A 18 14.040 5.864 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.599 8.790 -5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.325 8.206 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.230 7.272 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.467 7.574 -6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.214 9.241 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.639 10.003 -6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.019 9.307 -3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.514 10.039 -3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.984 11.685 -3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.255 11.922 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.807 11.212 -4.148 1.00 0.00 H new ATOM 324 N VAL A 19 11.053 6.178 -4.773 1.00 0.00 N ATOM 325 CA VAL A 19 9.682 6.301 -4.316 1.00 0.00 C ATOM 326 C VAL A 19 9.023 4.937 -4.515 1.00 0.00 C ATOM 327 O VAL A 19 9.073 4.396 -5.622 1.00 0.00 O ATOM 328 CB VAL A 19 8.983 7.443 -5.093 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.507 7.575 -4.707 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.641 8.813 -4.847 1.00 0.00 C ATOM 0 H VAL A 19 11.139 5.654 -5.644 1.00 0.00 H new ATOM 0 HA VAL A 19 9.613 6.568 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 19 9.081 7.169 -6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.054 8.388 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.988 6.643 -4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.427 7.789 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.112 9.578 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.595 9.053 -3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.683 8.779 -5.166 1.00 0.00 H new ATOM 340 N ALA A 20 8.429 4.378 -3.455 1.00 0.00 N ATOM 341 CA ALA A 20 7.471 3.286 -3.562 1.00 0.00 C ATOM 342 C ALA A 20 6.083 3.868 -3.736 1.00 0.00 C ATOM 343 O ALA A 20 5.748 4.928 -3.201 1.00 0.00 O ATOM 344 CB ALA A 20 7.434 2.422 -2.290 1.00 0.00 C ATOM 0 H ALA A 20 8.604 4.676 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 20 7.775 2.670 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.706 1.621 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.420 1.992 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.150 3.040 -1.438 1.00 0.00 H new ATOM 350 N THR A 21 5.244 3.054 -4.349 1.00 0.00 N ATOM 351 CA THR A 21 3.799 3.135 -4.234 1.00 0.00 C ATOM 352 C THR A 21 3.351 1.957 -3.347 1.00 0.00 C ATOM 353 O THR A 21 4.058 0.949 -3.253 1.00 0.00 O ATOM 354 CB THR A 21 3.202 3.130 -5.653 1.00 0.00 C ATOM 355 OG1 THR A 21 3.866 4.080 -6.460 1.00 0.00 O ATOM 356 CG2 THR A 21 1.716 3.483 -5.630 1.00 0.00 C ATOM 0 H THR A 21 5.557 2.297 -4.957 1.00 0.00 H new ATOM 0 HA THR A 21 3.446 4.051 -3.761 1.00 0.00 H new ATOM 0 HB THR A 21 3.329 2.126 -6.058 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.401 4.161 -7.319 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.323 3.471 -6.647 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.178 2.753 -5.025 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.585 4.477 -5.202 1.00 0.00 H new ATOM 364 N VAL A 22 2.200 2.081 -2.694 1.00 0.00 N ATOM 365 CA VAL A 22 1.448 1.101 -1.909 1.00 0.00 C ATOM 366 C VAL A 22 0.011 1.174 -2.462 1.00 0.00 C ATOM 367 O VAL A 22 -0.465 2.268 -2.778 1.00 0.00 O ATOM 368 CB VAL A 22 1.469 1.456 -0.386 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.329 0.285 0.597 1.00 0.00 C ATOM 370 CG2 VAL A 22 2.563 2.457 0.073 1.00 0.00 C ATOM 0 H VAL A 22 1.712 2.977 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 22 1.877 0.102 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 22 0.525 1.998 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.358 0.662 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.380 -0.223 0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.149 -0.417 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.476 2.624 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.548 2.048 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.434 3.403 -0.453 1.00 0.00 H new ATOM 380 N GLY A 23 -0.696 0.047 -2.565 1.00 0.00 N ATOM 381 CA GLY A 23 -2.121 0.087 -2.950 1.00 0.00 C ATOM 382 C GLY A 23 -2.998 -1.099 -2.634 1.00 0.00 C ATOM 383 O GLY A 23 -3.968 -1.368 -3.327 1.00 0.00 O ATOM 0 H GLY A 23 -0.323 -0.887 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.566 0.961 -2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.166 0.252 -4.026 1.00 0.00 H new ATOM 387 N ILE A 24 -2.659 -1.725 -1.525 1.00 0.00 N ATOM 388 CA ILE A 24 -3.088 -2.994 -0.977 1.00 0.00 C ATOM 389 C ILE A 24 -3.161 -4.140 -1.996 1.00 0.00 C ATOM 390 O ILE A 24 -3.114 -3.944 -3.200 1.00 0.00 O ATOM 391 CB ILE A 24 -4.353 -2.895 -0.101 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.570 -2.376 -0.879 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.122 -2.071 1.170 1.00 0.00 C ATOM 394 CD1 ILE A 24 -6.886 -2.675 -0.153 1.00 0.00 C ATOM 0 H ILE A 24 -1.979 -1.291 -0.901 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.277 -3.270 -0.304 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.577 -3.916 0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.474 -1.300 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.590 -2.833 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.043 -2.032 1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.336 -2.535 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.822 -1.059 0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.720 -2.290 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.996 -3.752 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.879 -2.196 0.826 1.00 0.00 H new ATOM 406 N THR A 25 -3.201 -5.384 -1.538 1.00 0.00 N ATOM 407 CA THR A 25 -3.211 -6.530 -2.442 1.00 0.00 C ATOM 408 C THR A 25 -4.646 -6.978 -2.742 1.00 0.00 C ATOM 409 O THR A 25 -5.610 -6.534 -2.109 1.00 0.00 O ATOM 410 CB THR A 25 -2.346 -7.625 -1.826 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.764 -7.861 -0.500 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.860 -7.245 -1.823 1.00 0.00 C ATOM 0 H THR A 25 -3.227 -5.627 -0.548 1.00 0.00 H new ATOM 0 HA THR A 25 -2.787 -6.267 -3.411 1.00 0.00 H new ATOM 0 HB THR A 25 -2.465 -8.523 -2.432 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.282 -8.633 -0.137 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.279 -8.052 -1.376 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.524 -7.080 -2.847 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.719 -6.332 -1.244 1.00 0.00 H new ATOM 420 N ASN A 26 -4.823 -7.891 -3.697 1.00 0.00 N ATOM 421 CA ASN A 26 -6.151 -8.368 -4.077 1.00 0.00 C ATOM 422 C ASN A 26 -6.799 -9.193 -2.956 1.00 0.00 C ATOM 423 O ASN A 26 -8.013 -9.125 -2.756 1.00 0.00 O ATOM 424 CB ASN A 26 -6.073 -9.159 -5.388 1.00 0.00 C ATOM 425 CG ASN A 26 -7.017 -8.586 -6.429 1.00 0.00 C ATOM 426 OD1 ASN A 26 -6.591 -7.904 -7.353 1.00 0.00 O ATOM 427 ND2 ASN A 26 -8.307 -8.816 -6.304 1.00 0.00 N ATOM 0 H ASN A 26 -4.059 -8.316 -4.223 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.792 -7.501 -4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.052 -9.139 -5.768 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.323 -10.203 -5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.963 -8.425 -6.980 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.651 -9.385 -5.531 1.00 0.00 H new ATOM 434 N HIS A 27 -5.999 -9.904 -2.153 1.00 0.00 N ATOM 435 CA HIS A 27 -6.450 -10.574 -0.929 1.00 0.00 C ATOM 436 C HIS A 27 -7.046 -9.580 0.073 1.00 0.00 C ATOM 437 O HIS A 27 -7.854 -9.984 0.910 1.00 0.00 O ATOM 438 CB HIS A 27 -5.258 -11.341 -0.322 1.00 0.00 C ATOM 439 CG HIS A 27 -5.541 -12.158 0.911 1.00 0.00 C ATOM 440 ND1 HIS A 27 -5.601 -13.537 0.969 1.00 0.00 N ATOM 441 CD2 HIS A 27 -5.692 -11.679 2.181 1.00 0.00 C ATOM 442 CE1 HIS A 27 -5.804 -13.888 2.254 1.00 0.00 C ATOM 443 NE2 HIS A 27 -5.884 -12.770 3.001 1.00 0.00 N ATOM 0 H HIS A 27 -5.004 -10.032 -2.339 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.247 -11.275 -1.175 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.855 -12.006 -1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.476 -10.621 -0.082 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.666 -10.643 2.485 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.889 -14.899 2.624 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.058 -12.736 4.006 1.00 0.00 H new ATOM 452 N ALA A 28 -6.676 -8.298 0.010 1.00 0.00 N ATOM 453 CA ALA A 28 -7.215 -7.276 0.885 1.00 0.00 C ATOM 454 C ALA A 28 -8.628 -6.866 0.445 1.00 0.00 C ATOM 455 O ALA A 28 -9.544 -6.946 1.270 1.00 0.00 O ATOM 456 CB ALA A 28 -6.263 -6.084 0.934 1.00 0.00 C ATOM 0 H ALA A 28 -5.989 -7.947 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.304 -7.679 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.672 -5.318 1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.294 -6.408 1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.142 -5.673 -0.068 1.00 0.00 H new ATOM 462 N GLN A 29 -8.817 -6.465 -0.827 1.00 0.00 N ATOM 463 CA GLN A 29 -10.112 -5.989 -1.344 1.00 0.00 C ATOM 464 C GLN A 29 -11.223 -7.019 -1.138 1.00 0.00 C ATOM 465 O GLN A 29 -12.373 -6.644 -0.945 1.00 0.00 O ATOM 466 CB GLN A 29 -10.028 -5.471 -2.806 1.00 0.00 C ATOM 467 CG GLN A 29 -9.537 -6.402 -3.911 1.00 0.00 C ATOM 468 CD GLN A 29 -10.590 -7.376 -4.422 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.497 -7.054 -5.187 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.454 -8.629 -4.053 1.00 0.00 N ATOM 0 H GLN A 29 -8.074 -6.463 -1.525 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.383 -5.119 -0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.024 -5.128 -3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.378 -4.596 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.180 -5.799 -4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.683 -6.969 -3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.701 -8.895 -3.418 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.101 -9.336 -4.401 1.00 0.00 H new ATOM 479 N GLU A 30 -10.866 -8.303 -1.074 1.00 0.00 N ATOM 480 CA GLU A 30 -11.747 -9.422 -0.817 1.00 0.00 C ATOM 481 C GLU A 30 -12.515 -9.225 0.500 1.00 0.00 C ATOM 482 O GLU A 30 -13.748 -9.257 0.534 1.00 0.00 O ATOM 483 CB GLU A 30 -10.860 -10.665 -0.766 1.00 0.00 C ATOM 484 CG GLU A 30 -10.737 -11.420 -2.086 1.00 0.00 C ATOM 485 CD GLU A 30 -11.976 -12.126 -2.631 1.00 0.00 C ATOM 486 OE1 GLU A 30 -13.099 -11.574 -2.531 1.00 0.00 O ATOM 487 OE2 GLU A 30 -11.786 -13.215 -3.212 1.00 0.00 O ATOM 0 H GLU A 30 -9.898 -8.596 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.502 -9.518 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.863 -10.369 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.255 -11.345 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.396 -10.714 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.952 -12.167 -1.970 1.00 0.00 H new ATOM 494 N GLN A 31 -11.780 -8.993 1.593 1.00 0.00 N ATOM 495 CA GLN A 31 -12.315 -8.956 2.949 1.00 0.00 C ATOM 496 C GLN A 31 -13.341 -7.827 3.094 1.00 0.00 C ATOM 497 O GLN A 31 -14.448 -8.049 3.595 1.00 0.00 O ATOM 498 CB GLN A 31 -11.186 -8.791 3.984 1.00 0.00 C ATOM 499 CG GLN A 31 -9.992 -9.750 3.838 1.00 0.00 C ATOM 500 CD GLN A 31 -10.343 -11.216 4.076 1.00 0.00 C ATOM 501 OE1 GLN A 31 -10.578 -11.970 3.135 1.00 0.00 O ATOM 502 NE2 GLN A 31 -10.314 -11.676 5.318 1.00 0.00 N ATOM 0 H GLN A 31 -10.775 -8.823 1.553 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.814 -9.906 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.814 -7.768 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.611 -8.920 4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.574 -9.645 2.837 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.213 -9.454 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.118 -11.042 6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.488 -12.664 5.500 1.00 0.00 H new ATOM 511 N LEU A 32 -12.978 -6.621 2.645 1.00 0.00 N ATOM 512 CA LEU A 32 -13.830 -5.432 2.690 1.00 0.00 C ATOM 513 C LEU A 32 -15.010 -5.612 1.732 1.00 0.00 C ATOM 514 O LEU A 32 -16.143 -5.250 2.071 1.00 0.00 O ATOM 515 CB LEU A 32 -13.021 -4.172 2.312 1.00 0.00 C ATOM 516 CG LEU A 32 -12.002 -3.600 3.332 1.00 0.00 C ATOM 517 CD1 LEU A 32 -12.518 -2.372 4.078 1.00 0.00 C ATOM 518 CD2 LEU A 32 -11.467 -4.591 4.366 1.00 0.00 C ATOM 0 H LEU A 32 -12.063 -6.442 2.231 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.207 -5.303 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.478 -4.393 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.734 -3.381 2.079 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.173 -3.327 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.756 -2.023 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.745 -1.581 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.421 -2.634 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.764 -4.084 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.296 -4.987 4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.960 -5.410 3.856 1.00 0.00 H new ATOM 530 N GLY A 33 -14.751 -6.219 0.572 1.00 0.00 N ATOM 531 CA GLY A 33 -15.631 -6.284 -0.572 1.00 0.00 C ATOM 532 C GLY A 33 -15.775 -4.897 -1.160 1.00 0.00 C ATOM 533 O GLY A 33 -14.779 -4.285 -1.569 1.00 0.00 O ATOM 0 H GLY A 33 -13.868 -6.703 0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.229 -6.970 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.606 -6.671 -0.276 1.00 0.00 H new ATOM 537 N ASP A 34 -17.009 -4.394 -1.167 1.00 0.00 N ATOM 538 CA ASP A 34 -17.242 -3.009 -1.549 1.00 0.00 C ATOM 539 C ASP A 34 -16.579 -2.080 -0.540 1.00 0.00 C ATOM 540 O ASP A 34 -16.346 -2.441 0.621 1.00 0.00 O ATOM 541 CB ASP A 34 -18.727 -2.622 -1.649 1.00 0.00 C ATOM 542 CG ASP A 34 -18.978 -1.523 -2.691 1.00 0.00 C ATOM 543 OD1 ASP A 34 -17.999 -0.970 -3.240 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.155 -1.158 -2.913 1.00 0.00 O ATOM 0 H ASP A 34 -17.848 -4.918 -0.916 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.813 -2.905 -2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.313 -3.504 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.077 -2.281 -0.675 1.00 0.00 H new ATOM 549 N VAL A 35 -16.346 -0.849 -0.966 1.00 0.00 N ATOM 550 CA VAL A 35 -15.884 0.240 -0.139 1.00 0.00 C ATOM 551 C VAL A 35 -16.758 1.465 -0.440 1.00 0.00 C ATOM 552 O VAL A 35 -17.792 1.391 -1.107 1.00 0.00 O ATOM 553 CB VAL A 35 -14.378 0.500 -0.358 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.840 1.408 0.756 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.525 -0.752 -0.305 1.00 0.00 C ATOM 0 H VAL A 35 -16.481 -0.576 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.984 -0.006 0.918 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.310 0.943 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.777 1.588 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.375 2.357 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.985 0.924 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.480 -0.488 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.632 -1.224 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.849 -1.446 -1.081 1.00 0.00 H new ATOM 565 N VAL A 36 -16.365 2.592 0.131 1.00 0.00 N ATOM 566 CA VAL A 36 -17.058 3.849 0.240 1.00 0.00 C ATOM 567 C VAL A 36 -16.049 4.970 0.508 1.00 0.00 C ATOM 568 O VAL A 36 -16.252 6.085 0.030 1.00 0.00 O ATOM 569 CB VAL A 36 -18.075 3.776 1.393 1.00 0.00 C ATOM 570 CG1 VAL A 36 -19.353 3.010 1.005 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.531 3.179 2.693 1.00 0.00 C ATOM 0 H VAL A 36 -15.449 2.645 0.577 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.584 4.056 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.307 4.824 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.036 2.988 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.835 3.509 0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.094 1.990 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.319 3.169 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.190 2.160 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.696 3.783 3.049 1.00 0.00 H new ATOM 581 N TYR A 37 -14.977 4.697 1.264 1.00 0.00 N ATOM 582 CA TYR A 37 -13.999 5.728 1.641 1.00 0.00 C ATOM 583 C TYR A 37 -12.582 5.176 1.868 1.00 0.00 C ATOM 584 O TYR A 37 -12.368 3.962 1.934 1.00 0.00 O ATOM 585 CB TYR A 37 -14.524 6.472 2.880 1.00 0.00 C ATOM 586 CG TYR A 37 -13.635 7.597 3.387 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.214 8.623 2.516 1.00 0.00 C ATOM 588 CD2 TYR A 37 -13.146 7.557 4.706 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.249 9.557 2.937 1.00 0.00 C ATOM 590 CE2 TYR A 37 -12.202 8.504 5.140 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.718 9.484 4.246 1.00 0.00 C ATOM 592 OH TYR A 37 -10.768 10.358 4.671 1.00 0.00 O ATOM 0 H TYR A 37 -14.764 3.768 1.628 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.897 6.420 0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.506 6.884 2.647 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.664 5.750 3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.633 8.692 1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.497 6.796 5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.914 10.329 2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.846 8.482 6.159 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.526 10.153 5.598 1.00 0.00 H new ATOM 602 N VAL A 38 -11.595 6.077 1.905 1.00 0.00 N ATOM 603 CA VAL A 38 -10.177 5.816 2.097 1.00 0.00 C ATOM 604 C VAL A 38 -9.556 7.080 2.666 1.00 0.00 C ATOM 605 O VAL A 38 -9.684 8.187 2.133 1.00 0.00 O ATOM 606 CB VAL A 38 -9.474 5.252 0.828 1.00 0.00 C ATOM 607 CG1 VAL A 38 -10.329 5.355 -0.439 1.00 0.00 C ATOM 608 CG2 VAL A 38 -8.106 5.866 0.497 1.00 0.00 C ATOM 0 H VAL A 38 -11.785 7.073 1.793 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.034 5.006 2.812 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.325 4.211 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.778 4.944 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.253 4.794 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.565 6.401 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.707 5.401 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.218 6.938 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.420 5.696 1.327 1.00 0.00 H new ATOM 618 N ASP A 39 -8.916 6.869 3.805 1.00 0.00 N ATOM 619 CA ASP A 39 -8.116 7.847 4.505 1.00 0.00 C ATOM 620 C ASP A 39 -6.769 7.932 3.806 1.00 0.00 C ATOM 621 O ASP A 39 -6.254 6.900 3.373 1.00 0.00 O ATOM 622 CB ASP A 39 -8.000 7.451 5.992 1.00 0.00 C ATOM 623 CG ASP A 39 -6.689 7.849 6.675 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.416 9.058 6.834 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.974 6.954 7.182 1.00 0.00 O ATOM 0 H ASP A 39 -8.945 5.969 4.284 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.575 8.835 4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.827 7.905 6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.120 6.371 6.074 1.00 0.00 H new ATOM 630 N LEU A 40 -6.208 9.135 3.658 1.00 0.00 N ATOM 631 CA LEU A 40 -4.911 9.338 3.031 1.00 0.00 C ATOM 632 C LEU A 40 -4.107 10.385 3.801 1.00 0.00 C ATOM 633 O LEU A 40 -4.668 11.362 4.308 1.00 0.00 O ATOM 634 CB LEU A 40 -5.060 9.752 1.554 1.00 0.00 C ATOM 635 CG LEU A 40 -5.580 8.621 0.649 1.00 0.00 C ATOM 636 CD1 LEU A 40 -5.877 9.149 -0.752 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.574 7.475 0.519 1.00 0.00 C ATOM 0 H LEU A 40 -6.649 9.999 3.974 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.373 8.390 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.741 10.600 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.094 10.090 1.180 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.488 8.244 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.244 8.335 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.634 9.931 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.966 9.559 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.986 6.701 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.646 7.852 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.373 7.054 1.504 1.00 0.00 H new ATOM 649 N PRO A 41 -2.781 10.209 3.876 1.00 0.00 N ATOM 650 CA PRO A 41 -1.879 11.118 4.565 1.00 0.00 C ATOM 651 C PRO A 41 -1.570 12.356 3.712 1.00 0.00 C ATOM 652 O PRO A 41 -2.034 12.480 2.580 1.00 0.00 O ATOM 653 CB PRO A 41 -0.634 10.281 4.834 1.00 0.00 C ATOM 654 CG PRO A 41 -0.604 9.291 3.668 1.00 0.00 C ATOM 655 CD PRO A 41 -2.053 9.098 3.287 1.00 0.00 C ATOM 0 HA PRO A 41 -2.308 11.515 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.265 10.897 4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.696 9.768 5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.024 9.682 2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.143 8.348 3.962 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.172 9.086 2.204 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.429 8.145 3.660 1.00 0.00 H new ATOM 663 N GLU A 42 -0.781 13.283 4.253 1.00 0.00 N ATOM 664 CA GLU A 42 -0.307 14.486 3.570 1.00 0.00 C ATOM 665 C GLU A 42 0.980 14.191 2.789 1.00 0.00 C ATOM 666 O GLU A 42 1.693 13.246 3.117 1.00 0.00 O ATOM 667 CB GLU A 42 -0.076 15.566 4.630 1.00 0.00 C ATOM 668 CG GLU A 42 -0.081 16.988 4.059 1.00 0.00 C ATOM 669 CD GLU A 42 1.267 17.487 3.544 1.00 0.00 C ATOM 670 OE1 GLU A 42 2.266 17.431 4.297 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.299 17.899 2.358 1.00 0.00 O ATOM 0 H GLU A 42 -0.442 13.215 5.213 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.047 14.830 2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.849 15.486 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.879 15.383 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.802 17.032 3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.432 17.671 4.832 1.00 0.00 H new ATOM 678 N VAL A 43 1.327 15.030 1.810 1.00 0.00 N ATOM 679 CA VAL A 43 2.357 14.816 0.776 1.00 0.00 C ATOM 680 C VAL A 43 3.812 15.033 1.264 1.00 0.00 C ATOM 681 O VAL A 43 4.755 15.189 0.486 1.00 0.00 O ATOM 682 CB VAL A 43 1.948 15.658 -0.462 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.652 17.013 -0.578 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.154 14.877 -1.758 1.00 0.00 C ATOM 0 H VAL A 43 0.870 15.936 1.707 1.00 0.00 H new ATOM 0 HA VAL A 43 2.386 13.762 0.498 1.00 0.00 H new ATOM 0 HB VAL A 43 0.890 15.867 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.303 17.529 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.426 17.617 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.729 16.859 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.858 15.495 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.205 14.605 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.546 13.973 -1.738 1.00 0.00 H new ATOM 694 N GLY A 44 3.990 15.028 2.574 1.00 0.00 N ATOM 695 CA GLY A 44 5.249 15.175 3.286 1.00 0.00 C ATOM 696 C GLY A 44 5.231 14.531 4.670 1.00 0.00 C ATOM 697 O GLY A 44 6.133 14.778 5.473 1.00 0.00 O ATOM 0 H GLY A 44 3.204 14.913 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.049 14.729 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.481 16.235 3.388 1.00 0.00 H new ATOM 701 N ARG A 45 4.214 13.726 5.001 1.00 0.00 N ATOM 702 CA ARG A 45 4.129 13.086 6.314 1.00 0.00 C ATOM 703 C ARG A 45 5.193 11.992 6.431 1.00 0.00 C ATOM 704 O ARG A 45 5.251 11.119 5.572 1.00 0.00 O ATOM 705 CB ARG A 45 2.704 12.545 6.519 1.00 0.00 C ATOM 706 CG ARG A 45 2.601 11.733 7.814 1.00 0.00 C ATOM 707 CD ARG A 45 1.163 11.435 8.234 1.00 0.00 C ATOM 708 NE ARG A 45 1.164 10.477 9.349 1.00 0.00 N ATOM 709 CZ ARG A 45 0.186 10.265 10.231 1.00 0.00 C ATOM 710 NH1 ARG A 45 -0.929 10.985 10.228 1.00 0.00 N ATOM 711 NH2 ARG A 45 0.345 9.308 11.133 1.00 0.00 N ATOM 0 H ARG A 45 3.439 13.504 4.376 1.00 0.00 H new ATOM 0 HA ARG A 45 4.328 13.809 7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.998 13.375 6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.424 11.920 5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.136 10.792 7.687 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.100 12.278 8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.662 12.356 8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.604 11.027 7.391 1.00 0.00 H new ATOM 0 HE ARG A 45 2.006 9.912 9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.056 11.725 9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.659 10.798 10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.201 8.753 11.142 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.388 9.126 11.818 1.00 0.00 H new ATOM 725 N GLU A 46 6.019 11.982 7.476 1.00 0.00 N ATOM 726 CA GLU A 46 6.832 10.805 7.793 1.00 0.00 C ATOM 727 C GLU A 46 5.967 9.682 8.365 1.00 0.00 C ATOM 728 O GLU A 46 5.017 9.951 9.105 1.00 0.00 O ATOM 729 CB GLU A 46 7.926 11.139 8.810 1.00 0.00 C ATOM 730 CG GLU A 46 9.256 11.410 8.104 1.00 0.00 C ATOM 731 CD GLU A 46 10.444 11.273 9.057 1.00 0.00 C ATOM 732 OE1 GLU A 46 10.513 10.316 9.867 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.405 12.063 8.892 1.00 0.00 O ATOM 0 H GLU A 46 6.144 12.768 8.114 1.00 0.00 H new ATOM 0 HA GLU A 46 7.293 10.480 6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.633 12.012 9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.042 10.312 9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.375 10.714 7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.244 12.414 7.680 1.00 0.00 H new ATOM 740 N VAL A 47 6.336 8.434 8.061 1.00 0.00 N ATOM 741 CA VAL A 47 5.665 7.214 8.495 1.00 0.00 C ATOM 742 C VAL A 47 6.717 6.118 8.720 1.00 0.00 C ATOM 743 O VAL A 47 7.702 6.038 7.979 1.00 0.00 O ATOM 744 CB VAL A 47 4.604 6.793 7.446 1.00 0.00 C ATOM 745 CG1 VAL A 47 3.639 7.942 7.117 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.191 6.309 6.109 1.00 0.00 C ATOM 0 H VAL A 47 7.150 8.242 7.477 1.00 0.00 H new ATOM 0 HA VAL A 47 5.141 7.383 9.436 1.00 0.00 H new ATOM 0 HB VAL A 47 4.088 5.962 7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.911 7.606 6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.119 8.251 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.201 8.785 6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.380 6.035 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.782 7.108 5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.827 5.441 6.284 1.00 0.00 H new ATOM 756 N LYS A 48 6.530 5.248 9.715 1.00 0.00 N ATOM 757 CA LYS A 48 7.342 4.036 9.863 1.00 0.00 C ATOM 758 C LYS A 48 6.818 2.905 8.987 1.00 0.00 C ATOM 759 O LYS A 48 5.700 2.962 8.483 1.00 0.00 O ATOM 760 CB LYS A 48 7.351 3.560 11.316 1.00 0.00 C ATOM 761 CG LYS A 48 8.099 4.535 12.223 1.00 0.00 C ATOM 762 CD LYS A 48 8.280 3.888 13.594 1.00 0.00 C ATOM 763 CE LYS A 48 8.718 4.952 14.591 1.00 0.00 C ATOM 764 NZ LYS A 48 8.537 4.491 15.976 1.00 0.00 N ATOM 0 H LYS A 48 5.818 5.361 10.436 1.00 0.00 H new ATOM 0 HA LYS A 48 8.354 4.294 9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.326 3.448 11.669 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.818 2.577 11.374 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.069 4.784 11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.542 5.468 12.316 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.347 3.429 13.920 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.024 3.094 13.540 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.765 5.203 14.422 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.142 5.863 14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.844 5.237 16.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.533 4.275 16.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.106 3.635 16.134 1.00 0.00 H new ATOM 778 N LYS A 49 7.584 1.813 8.932 1.00 0.00 N ATOM 779 CA LYS A 49 7.278 0.547 8.258 1.00 0.00 C ATOM 780 C LYS A 49 6.086 -0.240 8.808 1.00 0.00 C ATOM 781 O LYS A 49 5.918 -1.418 8.495 1.00 0.00 O ATOM 782 CB LYS A 49 8.564 -0.291 8.192 1.00 0.00 C ATOM 783 CG LYS A 49 8.846 -1.379 9.230 1.00 0.00 C ATOM 784 CD LYS A 49 8.730 -1.010 10.708 1.00 0.00 C ATOM 785 CE LYS A 49 8.894 -2.336 11.458 1.00 0.00 C ATOM 786 NZ LYS A 49 8.692 -2.193 12.909 1.00 0.00 N ATOM 0 H LYS A 49 8.496 1.787 9.388 1.00 0.00 H new ATOM 0 HA LYS A 49 6.933 0.801 7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.584 -0.770 7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.402 0.406 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.164 -2.207 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.856 -1.751 9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.499 -0.294 10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.767 -0.549 10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.182 -3.062 11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.891 -2.734 11.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.814 -3.118 13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.388 -1.521 13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.732 -1.839 13.093 1.00 0.00 H new ATOM 800 N GLY A 50 5.277 0.376 9.656 1.00 0.00 N ATOM 801 CA GLY A 50 4.114 -0.252 10.239 1.00 0.00 C ATOM 802 C GLY A 50 3.239 0.818 10.850 1.00 0.00 C ATOM 803 O GLY A 50 3.120 0.887 12.069 1.00 0.00 O ATOM 0 H GLY A 50 5.417 1.340 9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.561 -0.803 9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.415 -0.973 10.999 1.00 0.00 H new ATOM 807 N GLU A 51 2.682 1.698 10.020 1.00 0.00 N ATOM 808 CA GLU A 51 1.895 2.842 10.465 1.00 0.00 C ATOM 809 C GLU A 51 0.699 3.000 9.521 1.00 0.00 C ATOM 810 O GLU A 51 0.874 3.077 8.306 1.00 0.00 O ATOM 811 CB GLU A 51 2.819 4.074 10.568 1.00 0.00 C ATOM 812 CG GLU A 51 2.900 4.589 12.015 1.00 0.00 C ATOM 813 CD GLU A 51 4.222 5.302 12.303 1.00 0.00 C ATOM 814 OE1 GLU A 51 4.570 6.269 11.585 1.00 0.00 O ATOM 815 OE2 GLU A 51 4.937 4.922 13.255 1.00 0.00 O ATOM 0 H GLU A 51 2.767 1.634 9.006 1.00 0.00 H new ATOM 0 HA GLU A 51 1.478 2.706 11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.817 3.814 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.448 4.866 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.072 5.273 12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.783 3.752 12.703 1.00 0.00 H new ATOM 822 N VAL A 52 -0.504 2.951 10.096 1.00 0.00 N ATOM 823 CA VAL A 52 -1.857 2.809 9.537 1.00 0.00 C ATOM 824 C VAL A 52 -2.358 4.080 8.821 1.00 0.00 C ATOM 825 O VAL A 52 -3.525 4.458 8.850 1.00 0.00 O ATOM 826 CB VAL A 52 -2.784 2.128 10.596 1.00 0.00 C ATOM 827 CG1 VAL A 52 -2.304 2.304 12.037 1.00 0.00 C ATOM 828 CG2 VAL A 52 -4.271 2.518 10.618 1.00 0.00 C ATOM 0 H VAL A 52 -0.562 3.020 11.112 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.860 2.119 8.693 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.707 1.101 10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.997 1.805 12.715 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.312 1.867 12.146 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.261 3.366 12.279 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.781 1.963 11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.364 3.587 10.809 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.724 2.281 9.655 1.00 0.00 H new ATOM 838 N VAL A 53 -1.472 4.798 8.153 1.00 0.00 N ATOM 839 CA VAL A 53 -1.739 6.137 7.644 1.00 0.00 C ATOM 840 C VAL A 53 -2.729 6.208 6.468 1.00 0.00 C ATOM 841 O VAL A 53 -2.877 7.289 5.898 1.00 0.00 O ATOM 842 CB VAL A 53 -0.394 6.792 7.303 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.386 7.022 8.601 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.418 5.931 6.322 1.00 0.00 C ATOM 0 H VAL A 53 -0.531 4.464 7.944 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.254 6.688 8.431 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.578 7.747 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.345 7.487 8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.187 7.676 9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.556 6.067 9.097 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.365 6.425 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.612 4.956 6.769 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.146 5.801 5.399 1.00 0.00 H new ATOM 854 N ALA A 54 -3.375 5.107 6.074 1.00 0.00 N ATOM 855 CA ALA A 54 -4.334 5.103 4.979 1.00 0.00 C ATOM 856 C ALA A 54 -5.471 4.111 5.234 1.00 0.00 C ATOM 857 O ALA A 54 -5.695 3.181 4.461 1.00 0.00 O ATOM 858 CB ALA A 54 -3.581 4.838 3.674 1.00 0.00 C ATOM 0 H ALA A 54 -3.244 4.194 6.510 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.819 6.076 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.285 4.832 2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.840 5.622 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.080 3.872 3.733 1.00 0.00 H new ATOM 864 N SER A 55 -6.152 4.260 6.365 1.00 0.00 N ATOM 865 CA SER A 55 -7.239 3.387 6.774 1.00 0.00 C ATOM 866 C SER A 55 -8.382 3.356 5.755 1.00 0.00 C ATOM 867 O SER A 55 -8.533 4.227 4.894 1.00 0.00 O ATOM 868 CB SER A 55 -7.747 3.835 8.143 1.00 0.00 C ATOM 869 OG SER A 55 -7.396 2.912 9.156 1.00 0.00 O ATOM 0 H SER A 55 -5.958 5.006 7.033 1.00 0.00 H new ATOM 0 HA SER A 55 -6.854 2.369 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.333 4.814 8.383 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.831 3.946 8.111 1.00 0.00 H new ATOM 0 HG SER A 55 -7.684 2.013 8.893 1.00 0.00 H new ATOM 875 N ILE A 56 -9.235 2.346 5.892 1.00 0.00 N ATOM 876 CA ILE A 56 -10.214 1.953 4.899 1.00 0.00 C ATOM 877 C ILE A 56 -11.545 1.788 5.631 1.00 0.00 C ATOM 878 O ILE A 56 -11.640 0.860 6.433 1.00 0.00 O ATOM 879 CB ILE A 56 -9.776 0.614 4.253 1.00 0.00 C ATOM 880 CG1 ILE A 56 -8.316 0.549 3.751 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.785 0.321 3.135 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.884 -0.860 3.326 1.00 0.00 C ATOM 0 H ILE A 56 -9.260 1.762 6.728 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.306 2.696 4.107 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.782 -0.153 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.199 1.228 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.652 0.903 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.522 -0.616 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.786 0.240 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.765 1.131 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.849 -0.836 2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.970 -1.538 4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.525 -1.209 2.517 1.00 0.00 H new ATOM 894 N GLU A 57 -12.565 2.605 5.351 1.00 0.00 N ATOM 895 CA GLU A 57 -13.929 2.327 5.808 1.00 0.00 C ATOM 896 C GLU A 57 -14.725 1.828 4.611 1.00 0.00 C ATOM 897 O GLU A 57 -14.751 2.492 3.580 1.00 0.00 O ATOM 898 CB GLU A 57 -14.630 3.549 6.451 1.00 0.00 C ATOM 899 CG GLU A 57 -14.914 3.375 7.951 1.00 0.00 C ATOM 900 CD GLU A 57 -16.391 3.602 8.320 1.00 0.00 C ATOM 901 OE1 GLU A 57 -17.233 2.712 8.033 1.00 0.00 O ATOM 902 OE2 GLU A 57 -16.752 4.627 8.940 1.00 0.00 O ATOM 0 H GLU A 57 -12.471 3.464 4.810 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.877 1.576 6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.007 4.432 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.570 3.734 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.621 2.370 8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.294 4.072 8.515 1.00 0.00 H new ATOM 909 N SER A 58 -15.363 0.665 4.749 1.00 0.00 N ATOM 910 CA SER A 58 -16.215 -0.015 3.777 1.00 0.00 C ATOM 911 C SER A 58 -17.667 0.091 4.250 1.00 0.00 C ATOM 912 O SER A 58 -18.050 0.881 5.117 1.00 0.00 O ATOM 913 CB SER A 58 -15.695 -1.460 3.537 1.00 0.00 C ATOM 914 OG SER A 58 -16.566 -2.577 3.481 1.00 0.00 O ATOM 0 H SER A 58 -15.290 0.132 5.616 1.00 0.00 H new ATOM 0 HA SER A 58 -16.178 0.458 2.795 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.146 -1.443 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.970 -1.667 4.324 1.00 0.00 H new ATOM 0 HG SER A 58 -16.610 -2.912 2.561 1.00 0.00 H new ATOM 920 N VAL A 59 -18.484 -0.732 3.622 1.00 0.00 N ATOM 921 CA VAL A 59 -19.890 -0.959 3.888 1.00 0.00 C ATOM 922 C VAL A 59 -20.126 -1.637 5.245 1.00 0.00 C ATOM 923 O VAL A 59 -21.214 -1.474 5.802 1.00 0.00 O ATOM 924 CB VAL A 59 -20.486 -1.773 2.724 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.577 -0.917 1.453 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.689 -3.045 2.392 1.00 0.00 C ATOM 0 H VAL A 59 -18.152 -1.307 2.848 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.398 0.003 3.953 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.477 -2.076 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.001 -1.511 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.215 -0.053 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.580 -0.578 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.166 -3.568 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.671 -2.774 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.664 -3.697 3.265 1.00 0.00 H new ATOM 936 N LYS A 60 -19.150 -2.383 5.794 1.00 0.00 N ATOM 937 CA LYS A 60 -19.165 -2.834 7.196 1.00 0.00 C ATOM 938 C LYS A 60 -17.782 -3.193 7.748 1.00 0.00 C ATOM 939 O LYS A 60 -17.694 -3.844 8.791 1.00 0.00 O ATOM 940 CB LYS A 60 -20.127 -4.021 7.392 1.00 0.00 C ATOM 941 CG LYS A 60 -20.619 -4.119 8.857 1.00 0.00 C ATOM 942 CD LYS A 60 -22.142 -4.083 8.965 1.00 0.00 C ATOM 943 CE LYS A 60 -22.661 -2.725 8.486 1.00 0.00 C ATOM 944 NZ LYS A 60 -24.089 -2.771 8.143 1.00 0.00 N ATOM 0 H LYS A 60 -18.327 -2.690 5.276 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.520 -1.976 7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.983 -3.910 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -19.625 -4.947 7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.248 -5.043 9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -20.197 -3.296 9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.578 -4.882 8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -22.447 -4.256 9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.499 -1.980 9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -22.089 -2.405 7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -24.400 -1.831 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -24.241 -3.463 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -24.638 -3.051 8.980 1.00 0.00 H new ATOM 958 N ALA A 61 -16.696 -2.844 7.060 1.00 0.00 N ATOM 959 CA ALA A 61 -15.359 -3.037 7.607 1.00 0.00 C ATOM 960 C ALA A 61 -14.690 -1.692 7.826 1.00 0.00 C ATOM 961 O ALA A 61 -15.015 -0.727 7.135 1.00 0.00 O ATOM 962 CB ALA A 61 -14.568 -3.935 6.667 1.00 0.00 C ATOM 0 H ALA A 61 -16.717 -2.429 6.129 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.408 -3.528 8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.565 -4.086 7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.071 -4.898 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.501 -3.465 5.686 1.00 0.00 H new ATOM 968 N ALA A 62 -13.732 -1.660 8.748 1.00 0.00 N ATOM 969 CA ALA A 62 -12.917 -0.503 9.073 1.00 0.00 C ATOM 970 C ALA A 62 -11.519 -1.039 9.362 1.00 0.00 C ATOM 971 O ALA A 62 -11.297 -1.632 10.423 1.00 0.00 O ATOM 972 CB ALA A 62 -13.516 0.268 10.247 1.00 0.00 C ATOM 0 H ALA A 62 -13.496 -2.477 9.311 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.876 0.215 8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.889 1.131 10.473 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.519 0.606 9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.568 -0.382 11.121 1.00 0.00 H new ATOM 978 N ALA A 63 -10.628 -0.934 8.379 1.00 0.00 N ATOM 979 CA ALA A 63 -9.342 -1.615 8.328 1.00 0.00 C ATOM 980 C ALA A 63 -8.198 -0.617 8.135 1.00 0.00 C ATOM 981 O ALA A 63 -8.410 0.593 8.039 1.00 0.00 O ATOM 982 CB ALA A 63 -9.377 -2.677 7.218 1.00 0.00 C ATOM 0 H ALA A 63 -10.792 -0.346 7.562 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.157 -2.116 9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.416 -3.190 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.165 -3.399 7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.574 -2.196 6.260 1.00 0.00 H new ATOM 988 N ASP A 64 -6.974 -1.134 8.091 1.00 0.00 N ATOM 989 CA ASP A 64 -5.724 -0.412 8.242 1.00 0.00 C ATOM 990 C ASP A 64 -4.833 -0.722 7.029 1.00 0.00 C ATOM 991 O ASP A 64 -4.763 -1.881 6.597 1.00 0.00 O ATOM 992 CB ASP A 64 -5.007 -0.839 9.551 1.00 0.00 C ATOM 993 CG ASP A 64 -5.740 -1.764 10.537 1.00 0.00 C ATOM 994 OD1 ASP A 64 -6.076 -2.913 10.158 1.00 0.00 O ATOM 995 OD2 ASP A 64 -5.937 -1.387 11.722 1.00 0.00 O ATOM 0 H ASP A 64 -6.824 -2.131 7.939 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.922 0.658 8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.075 -1.330 9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.739 0.069 10.090 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.138 0.292 6.496 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.063 0.154 5.516 1.00 0.00 C ATOM 1002 C VAL A 65 -1.779 0.575 6.225 1.00 0.00 C ATOM 1003 O VAL A 65 -1.627 1.761 6.532 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.338 1.062 4.311 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.168 1.191 3.326 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.573 0.548 3.571 1.00 0.00 C ATOM 0 H VAL A 65 -4.319 1.264 6.747 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.985 -0.868 5.145 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.496 2.062 4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.453 1.851 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.302 1.606 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.917 0.208 2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.775 1.188 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.394 -0.471 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.431 0.560 4.243 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.883 -0.359 6.538 1.00 0.00 N ATOM 1017 CA TYR A 66 0.304 -0.073 7.326 1.00 0.00 C ATOM 1018 C TYR A 66 1.507 0.130 6.401 1.00 0.00 C ATOM 1019 O TYR A 66 2.054 -0.850 5.887 1.00 0.00 O ATOM 1020 CB TYR A 66 0.623 -1.237 8.262 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.419 -1.585 9.287 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.441 -0.921 10.525 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.300 -2.647 9.026 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.334 -1.342 11.523 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.179 -3.087 10.024 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.200 -2.434 11.277 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.047 -2.865 12.245 1.00 0.00 O ATOM 0 H TYR A 66 -0.964 -1.334 6.250 1.00 0.00 H new ATOM 0 HA TYR A 66 0.110 0.828 7.908 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.810 -2.122 7.653 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.551 -1.008 8.785 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.226 -0.091 10.708 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.300 -3.124 8.057 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.360 -0.834 12.476 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.838 -3.922 9.837 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.570 -3.622 11.908 1.00 0.00 H new ATOM 1037 N ALA A 67 1.981 1.373 6.252 1.00 0.00 N ATOM 1038 CA ALA A 67 3.082 1.740 5.352 1.00 0.00 C ATOM 1039 C ALA A 67 4.255 0.742 5.418 1.00 0.00 C ATOM 1040 O ALA A 67 4.585 0.265 6.502 1.00 0.00 O ATOM 1041 CB ALA A 67 3.592 3.144 5.688 1.00 0.00 C ATOM 0 H ALA A 67 1.602 2.169 6.765 1.00 0.00 H new ATOM 0 HA ALA A 67 2.683 1.717 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.408 3.406 5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.781 3.863 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.950 3.164 6.717 1.00 0.00 H new ATOM 1047 N PRO A 68 4.919 0.428 4.296 1.00 0.00 N ATOM 1048 CA PRO A 68 5.700 -0.803 4.153 1.00 0.00 C ATOM 1049 C PRO A 68 7.099 -0.744 4.767 1.00 0.00 C ATOM 1050 O PRO A 68 7.687 -1.778 5.093 1.00 0.00 O ATOM 1051 CB PRO A 68 5.833 -0.984 2.637 1.00 0.00 C ATOM 1052 CG PRO A 68 5.814 0.452 2.111 1.00 0.00 C ATOM 1053 CD PRO A 68 4.773 1.092 3.013 1.00 0.00 C ATOM 0 HA PRO A 68 5.199 -1.617 4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.757 -1.498 2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.012 -1.574 2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.787 0.935 2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.531 0.500 1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.938 2.166 3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.768 0.957 2.612 1.00 0.00 H new ATOM 1061 N LEU A 69 7.666 0.459 4.821 1.00 0.00 N ATOM 1062 CA LEU A 69 9.069 0.791 5.017 1.00 0.00 C ATOM 1063 C LEU A 69 9.059 2.168 5.651 1.00 0.00 C ATOM 1064 O LEU A 69 8.221 2.991 5.271 1.00 0.00 O ATOM 1065 CB LEU A 69 9.754 0.934 3.659 1.00 0.00 C ATOM 1066 CG LEU A 69 10.008 -0.381 2.911 1.00 0.00 C ATOM 1067 CD1 LEU A 69 9.892 -0.107 1.412 1.00 0.00 C ATOM 1068 CD2 LEU A 69 11.360 -0.998 3.293 1.00 0.00 C ATOM 0 H LEU A 69 7.100 1.301 4.719 1.00 0.00 H new ATOM 0 HA LEU A 69 9.581 0.033 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.143 1.579 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.708 1.441 3.803 1.00 0.00 H new ATOM 0 HG LEU A 69 9.261 -1.122 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.069 -1.029 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.893 0.265 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.631 0.639 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.504 -1.928 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.161 -0.302 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.377 -1.203 4.363 1.00 0.00 H new ATOM 1080 N SER A 70 9.992 2.466 6.545 1.00 0.00 N ATOM 1081 CA SER A 70 10.074 3.792 7.132 1.00 0.00 C ATOM 1082 C SER A 70 10.500 4.789 6.053 1.00 0.00 C ATOM 1083 O SER A 70 11.434 4.541 5.284 1.00 0.00 O ATOM 1084 CB SER A 70 11.001 3.755 8.340 1.00 0.00 C ATOM 1085 OG SER A 70 10.540 2.755 9.233 1.00 0.00 O ATOM 0 H SER A 70 10.699 1.809 6.877 1.00 0.00 H new ATOM 0 HA SER A 70 9.104 4.125 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.023 3.540 8.026 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.017 4.726 8.835 1.00 0.00 H new ATOM 0 HG SER A 70 11.129 2.719 10.016 1.00 0.00 H new ATOM 1091 N GLY A 71 9.741 5.871 5.908 1.00 0.00 N ATOM 1092 CA GLY A 71 9.866 6.824 4.818 1.00 0.00 C ATOM 1093 C GLY A 71 8.940 8.006 5.004 1.00 0.00 C ATOM 1094 O GLY A 71 8.416 8.233 6.094 1.00 0.00 O ATOM 0 H GLY A 71 9.001 6.113 6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.896 7.174 4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.640 6.329 3.873 1.00 0.00 H new ATOM 1098 N LYS A 72 8.761 8.799 3.950 1.00 0.00 N ATOM 1099 CA LYS A 72 7.963 10.014 4.009 1.00 0.00 C ATOM 1100 C LYS A 72 7.106 10.071 2.752 1.00 0.00 C ATOM 1101 O LYS A 72 7.607 9.820 1.658 1.00 0.00 O ATOM 1102 CB LYS A 72 8.907 11.213 4.205 1.00 0.00 C ATOM 1103 CG LYS A 72 8.164 12.547 4.345 1.00 0.00 C ATOM 1104 CD LYS A 72 9.054 13.780 4.145 1.00 0.00 C ATOM 1105 CE LYS A 72 9.998 14.116 5.309 1.00 0.00 C ATOM 1106 NZ LYS A 72 11.222 13.287 5.356 1.00 0.00 N ATOM 0 H LYS A 72 9.167 8.614 3.032 1.00 0.00 H new ATOM 0 HA LYS A 72 7.277 10.035 4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.515 11.048 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.591 11.272 3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.351 12.577 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.710 12.596 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.653 13.631 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.413 14.642 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.286 15.165 5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.456 13.997 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.974 13.806 5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.021 12.400 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.533 13.072 4.387 1.00 0.00 H new ATOM 1120 N ILE A 73 5.807 10.305 2.915 1.00 0.00 N ATOM 1121 CA ILE A 73 4.842 10.403 1.826 1.00 0.00 C ATOM 1122 C ILE A 73 5.284 11.529 0.894 1.00 0.00 C ATOM 1123 O ILE A 73 5.818 12.525 1.380 1.00 0.00 O ATOM 1124 CB ILE A 73 3.440 10.668 2.406 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.024 9.716 3.553 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.356 10.643 1.311 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.358 8.239 3.355 1.00 0.00 C ATOM 0 H ILE A 73 5.385 10.435 3.835 1.00 0.00 H new ATOM 0 HA ILE A 73 4.797 9.473 1.259 1.00 0.00 H new ATOM 0 HB ILE A 73 3.517 11.667 2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.503 10.056 4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.948 9.807 3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.381 10.834 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.571 11.412 0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.348 9.665 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.020 7.670 4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.857 7.869 2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.436 8.122 3.242 1.00 0.00 H new ATOM 1139 N VAL A 74 5.067 11.374 -0.417 1.00 0.00 N ATOM 1140 CA VAL A 74 5.361 12.407 -1.410 1.00 0.00 C ATOM 1141 C VAL A 74 4.378 12.397 -2.599 1.00 0.00 C ATOM 1142 O VAL A 74 4.573 13.167 -3.538 1.00 0.00 O ATOM 1143 CB VAL A 74 6.824 12.298 -1.924 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.889 12.558 -0.848 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.112 10.937 -2.584 1.00 0.00 C ATOM 0 H VAL A 74 4.679 10.521 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 74 5.236 13.360 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 74 6.899 13.092 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.882 12.463 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.764 13.564 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.778 11.832 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.146 10.910 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.949 10.139 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.445 10.796 -3.434 1.00 0.00 H new ATOM 1155 N GLU A 75 3.338 11.551 -2.618 1.00 0.00 N ATOM 1156 CA GLU A 75 2.231 11.702 -3.569 1.00 0.00 C ATOM 1157 C GLU A 75 0.983 11.041 -2.973 1.00 0.00 C ATOM 1158 O GLU A 75 1.121 10.112 -2.174 1.00 0.00 O ATOM 1159 CB GLU A 75 2.620 11.041 -4.905 1.00 0.00 C ATOM 1160 CG GLU A 75 2.193 11.843 -6.135 1.00 0.00 C ATOM 1161 CD GLU A 75 2.897 11.325 -7.393 1.00 0.00 C ATOM 1162 OE1 GLU A 75 4.124 11.541 -7.531 1.00 0.00 O ATOM 1163 OE2 GLU A 75 2.256 10.668 -8.247 1.00 0.00 O ATOM 0 H GLU A 75 3.242 10.756 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 75 2.020 12.755 -3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.701 10.902 -4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.170 10.050 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.113 11.774 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.430 12.897 -5.988 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.223 11.437 -3.379 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.483 10.766 -3.039 1.00 0.00 C ATOM 1172 C VAL A 76 -2.324 10.602 -4.313 1.00 0.00 C ATOM 1173 O VAL A 76 -2.113 11.321 -5.296 1.00 0.00 O ATOM 1174 CB VAL A 76 -2.233 11.491 -1.896 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.351 11.705 -0.654 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.788 12.847 -2.335 1.00 0.00 C ATOM 0 H VAL A 76 -0.357 12.257 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.272 9.771 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.059 10.829 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.926 12.218 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.016 10.740 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.485 12.310 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.305 13.316 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.968 13.488 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.486 12.705 -3.160 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.257 9.646 -4.315 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.045 9.297 -5.492 1.00 0.00 C ATOM 1188 C ASN A 77 -5.427 9.931 -5.384 1.00 0.00 C ATOM 1189 O ASN A 77 -6.378 9.284 -4.948 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.143 7.772 -5.637 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.672 7.325 -6.997 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.820 8.114 -7.924 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -4.963 6.041 -7.131 1.00 0.00 N ATOM 0 H ASN A 77 -3.486 9.090 -3.491 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.554 9.683 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.157 7.335 -5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.795 7.381 -4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.319 5.689 -8.020 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.832 5.404 -6.346 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.562 11.193 -5.796 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.820 11.956 -5.767 1.00 0.00 C ATOM 1202 C GLU A 78 -7.947 11.321 -6.609 1.00 0.00 C ATOM 1203 O GLU A 78 -9.084 11.794 -6.590 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.540 13.411 -6.198 1.00 0.00 C ATOM 1205 CG GLU A 78 -5.990 14.303 -5.065 1.00 0.00 C ATOM 1206 CD GLU A 78 -7.038 15.303 -4.551 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -8.014 14.893 -3.885 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -6.931 16.520 -4.850 1.00 0.00 O ATOM 0 H GLU A 78 -4.780 11.731 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.191 11.940 -4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.826 13.405 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.462 13.851 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.655 13.674 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.117 14.847 -5.425 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.686 10.220 -7.322 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.723 9.314 -7.820 1.00 0.00 C ATOM 1217 C LYS A 79 -9.600 8.845 -6.669 1.00 0.00 C ATOM 1218 O LYS A 79 -10.821 8.949 -6.748 1.00 0.00 O ATOM 1219 CB LYS A 79 -8.089 8.097 -8.511 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.515 8.463 -9.875 1.00 0.00 C ATOM 1221 CD LYS A 79 -7.018 7.240 -10.655 1.00 0.00 C ATOM 1222 CE LYS A 79 -8.103 6.541 -11.487 1.00 0.00 C ATOM 1223 NZ LYS A 79 -8.730 7.434 -12.487 1.00 0.00 N ATOM 0 H LYS A 79 -6.740 9.931 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.333 9.854 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.299 7.690 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.838 7.314 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.278 8.976 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.691 9.163 -9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.210 7.550 -11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.596 6.522 -9.952 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.665 5.683 -11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.873 6.155 -10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.173 6.862 -13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.454 8.019 -12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.004 8.049 -12.907 1.00 0.00 H new ATOM 1237 N LEU A 80 -8.978 8.315 -5.616 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.597 7.499 -4.573 1.00 0.00 C ATOM 1239 C LEU A 80 -10.633 8.277 -3.777 1.00 0.00 C ATOM 1240 O LEU A 80 -11.591 7.683 -3.289 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.501 6.943 -3.645 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.678 5.752 -4.191 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.173 4.451 -3.587 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.700 5.544 -5.709 1.00 0.00 C ATOM 0 H LEU A 80 -7.979 8.450 -5.460 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.125 6.675 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.812 7.753 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.969 6.635 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.658 6.013 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.586 3.621 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.067 4.490 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.222 4.306 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.087 4.680 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.725 5.373 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.304 6.431 -6.204 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.494 9.601 -3.728 1.00 0.00 N ATOM 1257 CA ASP A 81 -11.459 10.514 -3.127 1.00 0.00 C ATOM 1258 C ASP A 81 -12.835 10.415 -3.801 1.00 0.00 C ATOM 1259 O ASP A 81 -13.857 10.720 -3.187 1.00 0.00 O ATOM 1260 CB ASP A 81 -10.915 11.939 -3.275 1.00 0.00 C ATOM 1261 CG ASP A 81 -11.549 12.962 -2.334 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -12.249 12.616 -1.353 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -11.226 14.160 -2.493 1.00 0.00 O ATOM 0 H ASP A 81 -9.682 10.080 -4.118 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.593 10.249 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.839 11.923 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.067 12.267 -4.303 1.00 0.00 H new ATOM 1268 N THR A 82 -12.876 9.956 -5.055 1.00 0.00 N ATOM 1269 CA THR A 82 -14.063 9.908 -5.907 1.00 0.00 C ATOM 1270 C THR A 82 -14.321 8.497 -6.461 1.00 0.00 C ATOM 1271 O THR A 82 -15.446 8.158 -6.819 1.00 0.00 O ATOM 1272 CB THR A 82 -13.921 10.970 -7.018 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.754 10.792 -7.818 1.00 0.00 O ATOM 1274 CG2 THR A 82 -13.841 12.383 -6.422 1.00 0.00 C ATOM 0 H THR A 82 -12.046 9.592 -5.522 1.00 0.00 H new ATOM 0 HA THR A 82 -14.945 10.144 -5.311 1.00 0.00 H new ATOM 0 HB THR A 82 -14.807 10.848 -7.641 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.213 10.063 -7.450 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.741 13.112 -7.226 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.748 12.590 -5.855 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.977 12.451 -5.762 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.290 7.650 -6.483 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.309 6.284 -6.979 1.00 0.00 C ATOM 1284 C GLU A 83 -12.604 5.384 -5.950 1.00 0.00 C ATOM 1285 O GLU A 83 -11.503 4.890 -6.203 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.584 6.263 -8.329 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.360 6.908 -9.483 1.00 0.00 C ATOM 1288 CD GLU A 83 -14.288 5.901 -10.165 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -15.467 5.773 -9.770 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -13.844 5.251 -11.141 1.00 0.00 O ATOM 0 H GLU A 83 -12.370 7.920 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.326 5.917 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.628 6.776 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.363 5.228 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.945 7.747 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.659 7.312 -10.214 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.200 5.150 -4.772 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.691 4.232 -3.751 1.00 0.00 C ATOM 1299 C PRO A 84 -12.891 2.761 -4.158 1.00 0.00 C ATOM 1300 O PRO A 84 -12.476 1.840 -3.450 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.458 4.580 -2.472 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.750 5.227 -2.964 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.418 5.799 -4.336 1.00 0.00 C ATOM 0 HA PRO A 84 -11.616 4.344 -3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.662 3.690 -1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.888 5.262 -1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.556 4.496 -3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.082 6.010 -2.282 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.229 5.613 -5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.284 6.879 -4.283 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.561 2.526 -5.286 1.00 0.00 N ATOM 1312 CA GLU A 85 -13.940 1.221 -5.797 1.00 0.00 C ATOM 1313 C GLU A 85 -12.892 0.654 -6.770 1.00 0.00 C ATOM 1314 O GLU A 85 -12.951 -0.517 -7.142 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.327 1.398 -6.433 1.00 0.00 C ATOM 1316 CG GLU A 85 -16.013 0.131 -6.972 1.00 0.00 C ATOM 1317 CD GLU A 85 -16.398 0.193 -8.456 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -15.629 0.721 -9.295 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -17.434 -0.399 -8.851 1.00 0.00 O ATOM 0 H GLU A 85 -13.867 3.285 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.985 0.480 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.985 1.850 -5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.235 2.109 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.348 -0.719 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.912 -0.057 -6.385 1.00 0.00 H new ATOM 1326 N LEU A 86 -11.887 1.432 -7.171 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.814 0.922 -8.024 1.00 0.00 C ATOM 1328 C LEU A 86 -9.904 -0.034 -7.266 1.00 0.00 C ATOM 1329 O LEU A 86 -9.309 -0.918 -7.877 1.00 0.00 O ATOM 1330 CB LEU A 86 -9.991 2.069 -8.638 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.328 2.399 -10.101 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.145 3.175 -10.675 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.567 1.165 -10.977 1.00 0.00 C ATOM 0 H LEU A 86 -11.793 2.416 -6.919 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.288 0.369 -8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.139 2.965 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.934 1.813 -8.573 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.258 2.967 -10.105 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.347 3.428 -11.716 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.997 4.090 -10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.246 2.562 -10.619 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.799 1.480 -11.994 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.670 0.545 -10.985 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.402 0.590 -10.576 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.859 0.059 -5.942 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.216 -0.931 -5.100 1.00 0.00 C ATOM 1347 C ILE A 87 -9.845 -2.314 -5.328 1.00 0.00 C ATOM 1348 O ILE A 87 -9.148 -3.311 -5.177 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.278 -0.472 -3.636 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.478 0.825 -3.386 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.704 -1.529 -2.693 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -9.221 1.714 -2.389 1.00 0.00 C ATOM 0 H ILE A 87 -10.273 0.833 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.163 -1.027 -5.364 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.336 -0.301 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.487 0.582 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.333 1.359 -4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.764 -1.171 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.276 -2.452 -2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.662 -1.719 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.649 2.626 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.202 1.970 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.342 1.181 -1.446 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.111 -2.428 -5.757 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.568 -3.716 -6.277 1.00 0.00 C ATOM 1366 C ASN A 88 -10.949 -3.993 -7.641 1.00 0.00 C ATOM 1367 O ASN A 88 -10.445 -5.082 -7.903 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.077 -3.742 -6.480 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.837 -4.179 -5.238 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.415 -5.261 -5.230 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.846 -3.397 -4.174 1.00 0.00 N ATOM 0 H ASN A 88 -11.805 -1.680 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.270 -4.462 -5.540 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.415 -2.749 -6.775 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.316 -4.417 -7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.338 -3.690 -3.330 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.361 -2.500 -4.196 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.144 -3.054 -8.569 1.00 0.00 N ATOM 1379 CA LYS A 89 -10.979 -3.273 -10.002 1.00 0.00 C ATOM 1380 C LYS A 89 -9.534 -3.581 -10.366 1.00 0.00 C ATOM 1381 O LYS A 89 -9.304 -4.358 -11.291 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.522 -2.051 -10.762 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.708 -2.420 -11.671 1.00 0.00 C ATOM 1384 CD LYS A 89 -12.332 -2.955 -13.062 1.00 0.00 C ATOM 1385 CE LYS A 89 -12.210 -1.862 -14.134 1.00 0.00 C ATOM 1386 NZ LYS A 89 -13.462 -1.088 -14.308 1.00 0.00 N ATOM 0 H LYS A 89 -11.427 -2.102 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.552 -4.152 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.835 -1.289 -10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.725 -1.615 -11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.313 -3.171 -11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.335 -1.538 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.385 -3.489 -12.992 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.083 -3.679 -13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.402 -1.182 -13.863 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.936 -2.320 -15.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.752 -1.117 -15.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.211 -1.502 -13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.302 -0.101 -14.023 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.576 -2.968 -9.678 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.155 -3.244 -9.833 1.00 0.00 C ATOM 1402 C ASP A 90 -6.449 -2.595 -8.643 1.00 0.00 C ATOM 1403 O ASP A 90 -5.901 -1.500 -8.803 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.619 -2.701 -11.183 1.00 0.00 C ATOM 1405 CG ASP A 90 -6.094 -3.778 -12.130 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -5.472 -4.769 -11.675 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -6.220 -3.565 -13.354 1.00 0.00 O ATOM 0 H ASP A 90 -8.772 -2.249 -8.982 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.967 -4.318 -9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.417 -2.152 -11.683 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.819 -1.989 -10.983 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.449 -3.182 -7.437 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.798 -2.544 -6.294 1.00 0.00 C ATOM 1414 C PRO A 91 -4.328 -2.262 -6.609 1.00 0.00 C ATOM 1415 O PRO A 91 -3.771 -1.218 -6.265 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.976 -3.510 -5.122 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.357 -4.852 -5.746 1.00 0.00 C ATOM 1418 CD PRO A 91 -6.966 -4.499 -7.101 1.00 0.00 C ATOM 0 HA PRO A 91 -6.236 -1.576 -6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.057 -3.595 -4.542 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.752 -3.161 -4.441 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.485 -5.496 -5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.070 -5.390 -5.121 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.688 -5.233 -7.858 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.055 -4.490 -7.050 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.719 -3.154 -7.382 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.301 -3.183 -7.653 1.00 0.00 C ATOM 1428 C GLU A 92 -1.966 -2.567 -9.013 1.00 0.00 C ATOM 1429 O GLU A 92 -0.790 -2.391 -9.324 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.762 -4.614 -7.508 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.569 -5.555 -6.591 1.00 0.00 C ATOM 1432 CD GLU A 92 -1.939 -6.932 -6.434 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -2.044 -7.752 -7.381 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -1.475 -7.238 -5.312 1.00 0.00 O ATOM 0 H GLU A 92 -4.227 -3.903 -7.852 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.798 -2.562 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.711 -5.063 -8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.741 -4.559 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.669 -5.095 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.576 -5.668 -6.994 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.977 -2.202 -9.807 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.808 -1.533 -11.088 1.00 0.00 C ATOM 1443 C GLY A 93 -2.996 -0.038 -10.903 1.00 0.00 C ATOM 1444 O GLY A 93 -2.034 0.728 -10.946 1.00 0.00 O ATOM 0 H GLY A 93 -3.954 -2.370 -9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.816 -1.739 -11.491 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.531 -1.915 -11.809 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.233 0.376 -10.619 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.669 1.771 -10.655 1.00 0.00 C ATOM 1450 C GLU A 94 -5.178 2.272 -9.290 1.00 0.00 C ATOM 1451 O GLU A 94 -5.121 3.474 -9.022 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.713 1.866 -11.781 1.00 0.00 C ATOM 1453 CG GLU A 94 -5.070 1.778 -13.148 1.00 0.00 C ATOM 1454 CD GLU A 94 -4.772 3.132 -13.780 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -5.671 3.718 -14.417 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -3.606 3.581 -13.712 1.00 0.00 O ATOM 0 H GLU A 94 -4.977 -0.268 -10.351 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.833 2.438 -10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.443 1.064 -11.670 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.257 2.806 -11.694 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.141 1.214 -13.066 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.726 1.215 -13.812 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.577 1.366 -8.392 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.202 1.658 -7.099 1.00 0.00 C ATOM 1465 C GLY A 95 -5.235 2.018 -5.971 1.00 0.00 C ATOM 1466 O GLY A 95 -5.570 1.786 -4.813 1.00 0.00 O ATOM 0 H GLY A 95 -5.468 0.365 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.903 2.482 -7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.785 0.790 -6.792 1.00 0.00 H new ATOM 1470 N TRP A 96 -4.047 2.553 -6.271 1.00 0.00 N ATOM 1471 CA TRP A 96 -3.063 2.898 -5.247 1.00 0.00 C ATOM 1472 C TRP A 96 -3.580 3.988 -4.315 1.00 0.00 C ATOM 1473 O TRP A 96 -4.495 4.728 -4.673 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.713 3.268 -5.876 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.670 4.455 -6.791 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.058 4.455 -8.089 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.230 5.824 -6.503 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -1.901 5.720 -8.614 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.424 6.609 -7.678 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.747 6.507 -5.359 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.171 7.986 -7.716 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.511 7.901 -5.382 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.697 8.632 -6.567 1.00 0.00 C ATOM 0 H TRP A 96 -3.745 2.757 -7.224 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.900 2.012 -4.633 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -1.003 3.443 -5.067 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.355 2.402 -6.433 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.432 3.597 -8.629 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.113 5.967 -9.581 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.556 5.952 -4.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.340 8.545 -8.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.186 8.406 -4.484 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.475 9.689 -6.592 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.987 4.079 -3.120 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.461 4.954 -2.051 1.00 0.00 C ATOM 1496 C LEU A 97 -2.591 6.220 -2.069 1.00 0.00 C ATOM 1497 O LEU A 97 -3.039 7.305 -2.439 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.453 4.199 -0.696 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.243 2.866 -0.651 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.394 1.714 -0.108 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.480 2.944 0.261 1.00 0.00 C ATOM 0 H LEU A 97 -2.157 3.541 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.497 5.257 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.418 3.993 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.857 4.863 0.068 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.536 2.688 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.987 0.800 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.523 1.571 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.066 1.949 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.997 1.984 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.168 3.183 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.153 3.720 -0.104 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.310 6.074 -1.729 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.297 7.124 -1.710 1.00 0.00 C ATOM 1515 C PHE A 98 1.059 6.578 -2.194 1.00 0.00 C ATOM 1516 O PHE A 98 1.284 5.362 -2.229 1.00 0.00 O ATOM 1517 CB PHE A 98 -0.220 7.754 -0.298 1.00 0.00 C ATOM 1518 CG PHE A 98 0.263 6.834 0.811 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.627 6.498 0.900 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.651 6.236 1.702 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.072 5.558 1.843 1.00 0.00 C ATOM 1522 CE2 PHE A 98 -0.197 5.309 2.661 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.162 4.964 2.728 1.00 0.00 C ATOM 0 H PHE A 98 -0.933 5.170 -1.444 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.577 7.916 -2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.443 8.618 -0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.210 8.125 -0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.338 6.968 0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.700 6.489 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.118 5.292 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.899 4.861 3.349 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.504 4.245 3.457 1.00 0.00 H new ATOM 1533 N LYS A 99 2.000 7.473 -2.501 1.00 0.00 N ATOM 1534 CA LYS A 99 3.405 7.160 -2.752 1.00 0.00 C ATOM 1535 C LYS A 99 4.249 7.776 -1.656 1.00 0.00 C ATOM 1536 O LYS A 99 3.871 8.792 -1.067 1.00 0.00 O ATOM 1537 CB LYS A 99 3.886 7.732 -4.090 1.00 0.00 C ATOM 1538 CG LYS A 99 3.072 7.302 -5.314 1.00 0.00 C ATOM 1539 CD LYS A 99 3.662 7.827 -6.630 1.00 0.00 C ATOM 1540 CE LYS A 99 4.822 6.960 -7.140 1.00 0.00 C ATOM 1541 NZ LYS A 99 5.516 7.546 -8.305 1.00 0.00 N ATOM 0 H LYS A 99 1.796 8.469 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 99 3.504 6.075 -2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.871 8.820 -4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.924 7.435 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.025 6.214 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.049 7.662 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.879 7.863 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.012 8.849 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.540 6.813 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.440 5.975 -7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.196 6.858 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.820 7.787 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.022 8.406 -8.011 1.00 0.00 H new ATOM 1555 N MET A 100 5.417 7.199 -1.416 1.00 0.00 N ATOM 1556 CA MET A 100 6.344 7.678 -0.411 1.00 0.00 C ATOM 1557 C MET A 100 7.780 7.471 -0.863 1.00 0.00 C ATOM 1558 O MET A 100 8.094 6.467 -1.497 1.00 0.00 O ATOM 1559 CB MET A 100 6.083 6.981 0.924 1.00 0.00 C ATOM 1560 CG MET A 100 5.956 5.457 0.830 1.00 0.00 C ATOM 1561 SD MET A 100 5.778 4.621 2.432 1.00 0.00 S ATOM 1562 CE MET A 100 7.063 5.443 3.405 1.00 0.00 C ATOM 0 H MET A 100 5.748 6.377 -1.921 1.00 0.00 H new ATOM 0 HA MET A 100 6.188 8.748 -0.274 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.894 7.224 1.611 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.167 7.383 1.357 1.00 0.00 H new ATOM 0 HG2 MET A 100 5.094 5.214 0.209 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.836 5.061 0.323 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.158 4.950 4.373 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.013 5.386 2.874 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.793 6.488 3.555 1.00 0.00 H new ATOM 1572 N GLU A 101 8.634 8.429 -0.519 1.00 0.00 N ATOM 1573 CA GLU A 101 10.074 8.333 -0.628 1.00 0.00 C ATOM 1574 C GLU A 101 10.547 7.245 0.339 1.00 0.00 C ATOM 1575 O GLU A 101 10.061 7.182 1.479 1.00 0.00 O ATOM 1576 CB GLU A 101 10.687 9.698 -0.276 1.00 0.00 C ATOM 1577 CG GLU A 101 12.172 9.789 -0.658 1.00 0.00 C ATOM 1578 CD GLU A 101 12.898 10.902 0.108 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.981 10.857 1.356 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.400 11.862 -0.530 1.00 0.00 O ATOM 0 H GLU A 101 8.324 9.325 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 101 10.384 8.070 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.134 10.485 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.578 9.877 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.657 8.834 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.260 9.970 -1.729 1.00 0.00 H new ATOM 1587 N ILE A 102 11.479 6.402 -0.111 1.00 0.00 N ATOM 1588 CA ILE A 102 12.179 5.468 0.761 1.00 0.00 C ATOM 1589 C ILE A 102 13.238 6.211 1.580 1.00 0.00 C ATOM 1590 O ILE A 102 13.718 7.268 1.172 1.00 0.00 O ATOM 1591 CB ILE A 102 12.779 4.296 -0.045 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.587 4.731 -1.286 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.641 3.332 -0.415 1.00 0.00 C ATOM 1594 CD1 ILE A 102 14.335 3.586 -1.980 1.00 0.00 C ATOM 0 H ILE A 102 11.766 6.351 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 102 11.465 5.031 1.459 1.00 0.00 H new ATOM 0 HB ILE A 102 13.512 3.795 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.910 5.195 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.307 5.493 -0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 102 12.044 2.495 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.171 2.958 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.900 3.858 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.877 3.975 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.040 3.135 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.620 2.833 -2.311 1.00 0.00 H new ATOM 1606 N SER A 103 13.609 5.651 2.732 1.00 0.00 N ATOM 1607 CA SER A 103 14.529 6.300 3.659 1.00 0.00 C ATOM 1608 C SER A 103 15.625 5.367 4.171 1.00 0.00 C ATOM 1609 O SER A 103 16.611 5.848 4.735 1.00 0.00 O ATOM 1610 CB SER A 103 13.705 6.902 4.794 1.00 0.00 C ATOM 1611 OG SER A 103 14.242 8.115 5.298 1.00 0.00 O ATOM 0 H SER A 103 13.280 4.738 3.046 1.00 0.00 H new ATOM 0 HA SER A 103 15.068 7.087 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 103 12.690 7.082 4.440 1.00 0.00 H new ATOM 0 HB3 SER A 103 13.636 6.179 5.606 1.00 0.00 H new ATOM 0 HG SER A 103 13.670 8.451 6.020 1.00 0.00 H new ATOM 1617 N ASP A 104 15.477 4.061 3.952 1.00 0.00 N ATOM 1618 CA ASP A 104 16.519 3.067 4.147 1.00 0.00 C ATOM 1619 C ASP A 104 16.185 1.920 3.202 1.00 0.00 C ATOM 1620 O ASP A 104 15.129 1.291 3.332 1.00 0.00 O ATOM 1621 CB ASP A 104 16.593 2.593 5.613 1.00 0.00 C ATOM 1622 CG ASP A 104 17.942 2.887 6.274 1.00 0.00 C ATOM 1623 OD1 ASP A 104 18.976 2.950 5.578 1.00 0.00 O ATOM 1624 OD2 ASP A 104 18.010 3.014 7.522 1.00 0.00 O ATOM 0 H ASP A 104 14.599 3.658 3.624 1.00 0.00 H new ATOM 0 HA ASP A 104 17.503 3.484 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 104 15.802 3.078 6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.403 1.520 5.651 1.00 0.00 H new ATOM 1629 N GLU A 105 17.019 1.712 2.189 1.00 0.00 N ATOM 1630 CA GLU A 105 16.860 0.725 1.143 1.00 0.00 C ATOM 1631 C GLU A 105 17.393 -0.647 1.605 1.00 0.00 C ATOM 1632 O GLU A 105 17.049 -1.693 1.061 1.00 0.00 O ATOM 1633 CB GLU A 105 17.587 1.324 -0.069 1.00 0.00 C ATOM 1634 CG GLU A 105 18.088 0.318 -1.088 1.00 0.00 C ATOM 1635 CD GLU A 105 18.614 0.988 -2.361 1.00 0.00 C ATOM 1636 OE1 GLU A 105 19.171 2.114 -2.322 1.00 0.00 O ATOM 1637 OE2 GLU A 105 18.435 0.404 -3.452 1.00 0.00 O ATOM 0 H GLU A 105 17.870 2.262 2.075 1.00 0.00 H new ATOM 0 HA GLU A 105 15.821 0.520 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.912 2.018 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 105 18.436 1.907 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.881 -0.282 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.279 -0.365 -1.348 1.00 0.00 H new ATOM 1644 N GLY A 106 18.171 -0.653 2.679 1.00 0.00 N ATOM 1645 CA GLY A 106 18.670 -1.849 3.345 1.00 0.00 C ATOM 1646 C GLY A 106 17.526 -2.707 3.883 1.00 0.00 C ATOM 1647 O GLY A 106 17.653 -3.931 3.946 1.00 0.00 O ATOM 0 H GLY A 106 18.484 0.208 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.268 -2.434 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.328 -1.563 4.165 1.00 0.00 H new ATOM 1651 N GLU A 107 16.405 -2.074 4.237 1.00 0.00 N ATOM 1652 CA GLU A 107 15.196 -2.741 4.695 1.00 0.00 C ATOM 1653 C GLU A 107 14.364 -3.312 3.540 1.00 0.00 C ATOM 1654 O GLU A 107 13.396 -4.023 3.805 1.00 0.00 O ATOM 1655 CB GLU A 107 14.360 -1.743 5.517 1.00 0.00 C ATOM 1656 CG GLU A 107 14.581 -1.878 7.024 1.00 0.00 C ATOM 1657 CD GLU A 107 16.030 -1.711 7.476 1.00 0.00 C ATOM 1658 OE1 GLU A 107 16.778 -2.710 7.523 1.00 0.00 O ATOM 1659 OE2 GLU A 107 16.391 -0.589 7.892 1.00 0.00 O ATOM 0 H GLU A 107 16.316 -1.058 4.210 1.00 0.00 H new ATOM 0 HA GLU A 107 15.490 -3.590 5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.609 -0.728 5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 107 13.303 -1.893 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 107 13.968 -1.136 7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.226 -2.858 7.343 1.00 0.00 H new ATOM 1666 N LEU A 108 14.688 -3.037 2.269 1.00 0.00 N ATOM 1667 CA LEU A 108 13.852 -3.543 1.183 1.00 0.00 C ATOM 1668 C LEU A 108 13.954 -5.059 1.089 1.00 0.00 C ATOM 1669 O LEU A 108 12.943 -5.706 0.858 1.00 0.00 O ATOM 1670 CB LEU A 108 14.221 -2.980 -0.189 1.00 0.00 C ATOM 1671 CG LEU A 108 14.185 -1.466 -0.399 1.00 0.00 C ATOM 1672 CD1 LEU A 108 14.221 -1.156 -1.884 1.00 0.00 C ATOM 1673 CD2 LEU A 108 13.034 -0.740 0.273 1.00 0.00 C ATOM 0 H LEU A 108 15.495 -2.486 1.978 1.00 0.00 H new ATOM 0 HA LEU A 108 12.841 -3.220 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 108 15.229 -3.322 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.551 -3.431 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 108 15.075 -1.081 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.195 -0.076 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.136 -1.560 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.358 -1.609 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.103 0.327 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.088 -1.125 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.083 -0.899 1.350 1.00 0.00 H new ATOM 1685 N GLU A 109 15.152 -5.627 1.240 1.00 0.00 N ATOM 1686 CA GLU A 109 15.375 -7.068 1.095 1.00 0.00 C ATOM 1687 C GLU A 109 14.719 -7.848 2.248 1.00 0.00 C ATOM 1688 O GLU A 109 14.458 -9.046 2.126 1.00 0.00 O ATOM 1689 CB GLU A 109 16.885 -7.357 1.038 1.00 0.00 C ATOM 1690 CG GLU A 109 17.635 -6.646 -0.102 1.00 0.00 C ATOM 1691 CD GLU A 109 17.317 -7.206 -1.486 1.00 0.00 C ATOM 1692 OE1 GLU A 109 16.237 -6.901 -2.046 1.00 0.00 O ATOM 1693 OE2 GLU A 109 18.176 -7.907 -2.066 1.00 0.00 O ATOM 0 H GLU A 109 15.996 -5.101 1.466 1.00 0.00 H new ATOM 0 HA GLU A 109 14.913 -7.399 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.333 -7.064 1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.031 -8.432 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.386 -5.585 -0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.708 -6.725 0.075 1.00 0.00 H new ATOM 1700 N ASP A 110 14.420 -7.161 3.354 1.00 0.00 N ATOM 1701 CA ASP A 110 13.733 -7.707 4.522 1.00 0.00 C ATOM 1702 C ASP A 110 12.254 -7.988 4.230 1.00 0.00 C ATOM 1703 O ASP A 110 11.605 -8.753 4.946 1.00 0.00 O ATOM 1704 CB ASP A 110 13.886 -6.711 5.682 1.00 0.00 C ATOM 1705 CG ASP A 110 13.475 -7.287 7.032 1.00 0.00 C ATOM 1706 OD1 ASP A 110 14.040 -8.327 7.442 1.00 0.00 O ATOM 1707 OD2 ASP A 110 12.667 -6.657 7.754 1.00 0.00 O ATOM 0 H ASP A 110 14.659 -6.175 3.462 1.00 0.00 H new ATOM 0 HA ASP A 110 14.183 -8.663 4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.924 -6.384 5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.284 -5.827 5.474 1.00 0.00 H new ATOM 1712 N LEU A 111 11.721 -7.404 3.156 1.00 0.00 N ATOM 1713 CA LEU A 111 10.368 -7.601 2.652 1.00 0.00 C ATOM 1714 C LEU A 111 10.315 -8.817 1.732 1.00 0.00 C ATOM 1715 O LEU A 111 11.333 -9.376 1.325 1.00 0.00 O ATOM 1716 CB LEU A 111 9.969 -6.350 1.863 1.00 0.00 C ATOM 1717 CG LEU A 111 10.052 -5.019 2.620 1.00 0.00 C ATOM 1718 CD1 LEU A 111 9.741 -3.903 1.615 1.00 0.00 C ATOM 1719 CD2 LEU A 111 9.136 -5.029 3.854 1.00 0.00 C ATOM 0 H LEU A 111 12.253 -6.746 2.586 1.00 0.00 H new ATOM 0 HA LEU A 111 9.685 -7.768 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.606 -6.283 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.946 -6.480 1.509 1.00 0.00 H new ATOM 0 HG LEU A 111 11.049 -4.847 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.790 -2.937 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.470 -3.929 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.741 -4.049 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.214 -4.073 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.104 -5.188 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.439 -5.832 4.526 1.00 0.00 H new ATOM 1731 N LEU A 112 9.100 -9.226 1.382 1.00 0.00 N ATOM 1732 CA LEU A 112 8.836 -10.495 0.719 1.00 0.00 C ATOM 1733 C LEU A 112 8.887 -10.310 -0.797 1.00 0.00 C ATOM 1734 O LEU A 112 8.598 -9.224 -1.306 1.00 0.00 O ATOM 1735 CB LEU A 112 7.445 -10.996 1.129 1.00 0.00 C ATOM 1736 CG LEU A 112 7.191 -11.055 2.648 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.697 -11.225 2.869 1.00 0.00 C ATOM 1738 CD2 LEU A 112 7.936 -12.185 3.356 1.00 0.00 C ATOM 0 H LEU A 112 8.259 -8.675 1.554 1.00 0.00 H new ATOM 0 HA LEU A 112 9.592 -11.223 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.695 -10.348 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.298 -11.993 0.713 1.00 0.00 H new ATOM 0 HG LEU A 112 7.568 -10.127 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.490 -11.270 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.166 -10.380 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.362 -12.148 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.706 -12.161 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.625 -13.143 2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.009 -12.059 3.213 1.00 0.00 H new ATOM 1750 N ASP A 113 9.208 -11.371 -1.532 1.00 0.00 N ATOM 1751 CA ASP A 113 8.976 -11.461 -2.980 1.00 0.00 C ATOM 1752 C ASP A 113 7.454 -11.509 -3.237 1.00 0.00 C ATOM 1753 O ASP A 113 6.676 -11.710 -2.306 1.00 0.00 O ATOM 1754 CB ASP A 113 9.617 -12.736 -3.574 1.00 0.00 C ATOM 1755 CG ASP A 113 11.143 -12.849 -3.505 1.00 0.00 C ATOM 1756 OD1 ASP A 113 11.793 -12.113 -2.721 1.00 0.00 O ATOM 1757 OD2 ASP A 113 11.690 -13.719 -4.226 1.00 0.00 O ATOM 0 H ASP A 113 9.642 -12.206 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 113 9.428 -10.591 -3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.191 -13.599 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.320 -12.808 -4.620 1.00 0.00 H new ATOM 1762 N GLU A 114 7.002 -11.412 -4.493 1.00 0.00 N ATOM 1763 CA GLU A 114 5.585 -11.540 -4.864 1.00 0.00 C ATOM 1764 C GLU A 114 5.124 -12.989 -4.653 1.00 0.00 C ATOM 1765 O GLU A 114 4.066 -13.252 -4.076 1.00 0.00 O ATOM 1766 CB GLU A 114 5.366 -11.103 -6.326 1.00 0.00 C ATOM 1767 CG GLU A 114 3.892 -11.223 -6.752 1.00 0.00 C ATOM 1768 CD GLU A 114 3.465 -10.209 -7.822 1.00 0.00 C ATOM 1769 OE1 GLU A 114 4.190 -9.968 -8.809 1.00 0.00 O ATOM 1770 OE2 GLU A 114 2.380 -9.603 -7.634 1.00 0.00 O ATOM 0 H GLU A 114 7.615 -11.241 -5.290 1.00 0.00 H new ATOM 0 HA GLU A 114 4.990 -10.886 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.695 -10.071 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.984 -11.715 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.715 -12.230 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.259 -11.096 -5.873 1.00 0.00 H new ATOM 1777 N GLN A 115 5.930 -13.952 -5.104 1.00 0.00 N ATOM 1778 CA GLN A 115 5.735 -15.369 -4.866 1.00 0.00 C ATOM 1779 C GLN A 115 5.822 -15.692 -3.370 1.00 0.00 C ATOM 1780 O GLN A 115 5.012 -16.474 -2.875 1.00 0.00 O ATOM 1781 CB GLN A 115 6.772 -16.087 -5.741 1.00 0.00 C ATOM 1782 CG GLN A 115 7.073 -17.539 -5.385 1.00 0.00 C ATOM 1783 CD GLN A 115 5.896 -18.511 -5.381 1.00 0.00 C ATOM 1784 OE1 GLN A 115 5.793 -19.355 -4.500 1.00 0.00 O ATOM 1785 NE2 GLN A 115 5.035 -18.483 -6.384 1.00 0.00 N ATOM 0 H GLN A 115 6.760 -13.753 -5.662 1.00 0.00 H new ATOM 0 HA GLN A 115 4.739 -15.712 -5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 115 6.428 -16.053 -6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 115 7.704 -15.524 -5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.818 -17.912 -6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.530 -17.557 -4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 115 5.126 -17.777 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.280 -19.167 -6.427 1.00 0.00 H new ATOM 1794 N ALA A 116 6.755 -15.068 -2.645 1.00 0.00 N ATOM 1795 CA ALA A 116 6.876 -15.288 -1.207 1.00 0.00 C ATOM 1796 C ALA A 116 5.660 -14.745 -0.458 1.00 0.00 C ATOM 1797 O ALA A 116 5.214 -15.349 0.520 1.00 0.00 O ATOM 1798 CB ALA A 116 8.157 -14.648 -0.671 1.00 0.00 C ATOM 0 H ALA A 116 7.433 -14.410 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 116 6.924 -16.364 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.229 -14.823 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.020 -15.089 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.136 -13.575 -0.863 1.00 0.00 H new ATOM 1804 N TYR A 117 5.117 -13.618 -0.916 1.00 0.00 N ATOM 1805 CA TYR A 117 3.890 -13.045 -0.387 1.00 0.00 C ATOM 1806 C TYR A 117 2.684 -13.959 -0.632 1.00 0.00 C ATOM 1807 O TYR A 117 1.828 -14.075 0.244 1.00 0.00 O ATOM 1808 CB TYR A 117 3.701 -11.661 -1.007 1.00 0.00 C ATOM 1809 CG TYR A 117 2.288 -11.146 -0.904 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.788 -10.721 0.340 1.00 0.00 C ATOM 1811 CD2 TYR A 117 1.445 -11.220 -2.029 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.425 -10.416 0.473 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.083 -10.912 -1.904 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.432 -10.537 -0.644 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.760 -10.306 -0.491 1.00 0.00 O ATOM 0 H TYR A 117 5.526 -13.073 -1.675 1.00 0.00 H new ATOM 0 HA TYR A 117 3.967 -12.946 0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.373 -10.957 -0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 117 3.990 -11.699 -2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.450 -10.630 1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.847 -11.514 -2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.033 -10.090 1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -0.567 -10.961 -2.765 1.00 0.00 H new ATOM 0 HH TYR A 117 -2.167 -11.050 0.001 1.00 0.00 H new ATOM 1825 N GLN A 118 2.628 -14.647 -1.775 1.00 0.00 N ATOM 1826 CA GLN A 118 1.585 -15.635 -2.047 1.00 0.00 C ATOM 1827 C GLN A 118 1.529 -16.672 -0.924 1.00 0.00 C ATOM 1828 O GLN A 118 0.448 -16.960 -0.415 1.00 0.00 O ATOM 1829 CB GLN A 118 1.759 -16.249 -3.452 1.00 0.00 C ATOM 1830 CG GLN A 118 1.765 -17.786 -3.553 1.00 0.00 C ATOM 1831 CD GLN A 118 1.613 -18.276 -4.993 1.00 0.00 C ATOM 1832 OE1 GLN A 118 2.075 -17.639 -5.943 1.00 0.00 O ATOM 1833 NE2 GLN A 118 0.959 -19.407 -5.204 1.00 0.00 N ATOM 0 H GLN A 118 3.301 -14.535 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 118 0.613 -15.142 -2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.957 -15.872 -4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.696 -15.879 -3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.696 -18.171 -3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.954 -18.190 -2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.579 -19.931 -4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.835 -19.755 -6.155 1.00 0.00 H new ATOM 1842 N GLU A 119 2.676 -17.223 -0.516 1.00 0.00 N ATOM 1843 CA GLU A 119 2.728 -18.171 0.564 1.00 0.00 C ATOM 1844 C GLU A 119 2.240 -17.519 1.863 1.00 0.00 C ATOM 1845 O GLU A 119 1.519 -18.155 2.630 1.00 0.00 O ATOM 1846 CB GLU A 119 4.160 -18.717 0.667 1.00 0.00 C ATOM 1847 CG GLU A 119 4.276 -19.575 1.924 1.00 0.00 C ATOM 1848 CD GLU A 119 5.626 -20.262 2.122 1.00 0.00 C ATOM 1849 OE1 GLU A 119 6.337 -20.518 1.123 1.00 0.00 O ATOM 1850 OE2 GLU A 119 5.999 -20.539 3.284 1.00 0.00 O ATOM 0 H GLU A 119 3.583 -17.015 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 119 2.061 -19.012 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.402 -19.308 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.875 -17.895 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.075 -18.947 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 119 3.499 -20.339 1.896 1.00 0.00 H new ATOM 1857 N PHE A 120 2.596 -16.256 2.114 1.00 0.00 N ATOM 1858 CA PHE A 120 2.141 -15.540 3.299 1.00 0.00 C ATOM 1859 C PHE A 120 0.608 -15.386 3.323 1.00 0.00 C ATOM 1860 O PHE A 120 0.006 -15.347 4.396 1.00 0.00 O ATOM 1861 CB PHE A 120 2.876 -14.198 3.423 1.00 0.00 C ATOM 1862 CG PHE A 120 2.694 -13.577 4.791 1.00 0.00 C ATOM 1863 CD1 PHE A 120 3.293 -14.165 5.922 1.00 0.00 C ATOM 1864 CD2 PHE A 120 1.831 -12.479 4.954 1.00 0.00 C ATOM 1865 CE1 PHE A 120 3.004 -13.677 7.206 1.00 0.00 C ATOM 1866 CE2 PHE A 120 1.506 -12.030 6.245 1.00 0.00 C ATOM 1867 CZ PHE A 120 2.090 -12.625 7.375 1.00 0.00 C ATOM 0 H PHE A 120 3.203 -15.709 1.504 1.00 0.00 H new ATOM 0 HA PHE A 120 2.391 -16.133 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 120 3.939 -14.347 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.508 -13.511 2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.976 -14.993 5.801 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.419 -11.982 4.088 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.487 -14.113 8.068 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.802 -11.221 6.369 1.00 0.00 H new ATOM 0 HZ PHE A 120 1.838 -12.276 8.366 1.00 0.00 H new ATOM 1877 N CYS A 121 -0.056 -15.367 2.165 1.00 0.00 N ATOM 1878 CA CYS A 121 -1.515 -15.408 2.065 1.00 0.00 C ATOM 1879 C CYS A 121 -2.102 -16.817 2.154 1.00 0.00 C ATOM 1880 O CYS A 121 -3.323 -16.950 2.169 1.00 0.00 O ATOM 1881 CB CYS A 121 -1.968 -14.756 0.760 1.00 0.00 C ATOM 1882 SG CYS A 121 -1.806 -12.978 0.981 1.00 0.00 S ATOM 0 H CYS A 121 0.411 -15.322 1.259 1.00 0.00 H new ATOM 0 HA CYS A 121 -1.890 -14.856 2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -1.357 -15.099 -0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -2.999 -15.024 0.532 1.00 0.00 H new ATOM 0 HG CYS A 121 -1.058 -12.490 0.036 1.00 0.00 H new ATOM 1888 N ALA A 122 -1.292 -17.873 2.199 1.00 0.00 N ATOM 1889 CA ALA A 122 -1.745 -19.250 2.382 1.00 0.00 C ATOM 1890 C ALA A 122 -1.709 -19.658 3.855 1.00 0.00 C ATOM 1891 O ALA A 122 -2.044 -20.797 4.182 1.00 0.00 O ATOM 1892 CB ALA A 122 -0.849 -20.190 1.578 1.00 0.00 C ATOM 0 H ALA A 122 -0.279 -17.793 2.107 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.775 -19.317 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.186 -21.218 1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.901 -19.927 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 122 0.180 -20.097 1.925 1.00 0.00 H new ATOM 1898 N GLN A 123 -1.248 -18.769 4.732 1.00 0.00 N ATOM 1899 CA GLN A 123 -1.165 -18.929 6.172 1.00 0.00 C ATOM 1900 C GLN A 123 -1.969 -17.804 6.848 1.00 0.00 C ATOM 1901 O GLN A 123 -1.675 -17.395 7.976 1.00 0.00 O ATOM 1902 CB GLN A 123 0.320 -19.012 6.576 1.00 0.00 C ATOM 1903 CG GLN A 123 1.201 -17.835 6.121 1.00 0.00 C ATOM 1904 CD GLN A 123 2.693 -18.069 6.364 1.00 0.00 C ATOM 1905 OE1 GLN A 123 3.357 -17.342 7.097 1.00 0.00 O ATOM 1906 NE2 GLN A 123 3.283 -19.075 5.746 1.00 0.00 N ATOM 0 H GLN A 123 -0.901 -17.859 4.430 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.618 -19.859 6.516 1.00 0.00 H new ATOM 0 HB2 GLN A 123 0.379 -19.088 7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 123 0.737 -19.933 6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.036 -17.656 5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.891 -16.933 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 123 2.742 -19.686 5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.280 -19.242 5.880 1.00 0.00 H new ATOM 1915 N GLU A 124 -2.952 -17.264 6.120 1.00 0.00 N ATOM 1916 CA GLU A 124 -3.793 -16.140 6.480 1.00 0.00 C ATOM 1917 C GLU A 124 -5.235 -16.568 6.280 1.00 0.00 C ATOM 1918 O GLU A 124 -6.045 -16.358 7.208 1.00 0.00 O ATOM 1919 CB GLU A 124 -3.420 -14.945 5.587 1.00 0.00 C ATOM 1920 CG GLU A 124 -4.038 -13.610 6.027 1.00 0.00 C ATOM 1921 CD GLU A 124 -3.177 -12.874 7.062 1.00 0.00 C ATOM 1922 OE1 GLU A 124 -3.018 -13.391 8.191 1.00 0.00 O ATOM 1923 OE2 GLU A 124 -2.691 -11.757 6.757 1.00 0.00 O ATOM 0 H GLU A 124 -3.190 -17.634 5.200 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.655 -15.837 7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -2.335 -14.842 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -3.734 -15.158 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -4.175 -12.972 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -5.027 -13.793 6.447 1.00 0.00 H new TER 1930 GLU A 124