USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN :FLIP amide:sc= -4.3! C(o=-18!,f=-8!) USER MOD Set 1.2: B 44 GLN : amide:sc= -3.7! C(o=-8!,f=-18!) USER MOD Single : A 1 PHE N :NH3+ 158:sc= 0.618 (180deg=0.22) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= -0.329 (180deg=-1.24!) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.245 USER MOD Single : A 17 SER OG : rot 180:sc= -0.533 USER MOD Single : A 18 ASN : amide:sc=-0.00131 X(o=-0.0013,f=0) USER MOD Single : A 22 MET CE :methyl -169:sc= -0.959 (180deg=-1.63) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 106:sc= 0.0534 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0316) USER MOD Single : A 46 LYS NZ :NH3+ 136:sc= -0.16 (180deg=-1.17!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.0394 X(o=0.039,f=-0.41) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 1 PHE N :NH3+ 162:sc= 0.589 (180deg=0.268) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 14 LYS NZ :NH3+ 149:sc= -0.323 (180deg=-1.48!) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.186 USER MOD Single : B 17 SER OG : rot 173:sc= -0.535 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 MET CE :methyl -167:sc= -0.868 (180deg=-1.6) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 102:sc= 0.0201 USER MOD Single : B 42 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0997) USER MOD Single : B 46 LYS NZ :NH3+ 151:sc= -0.188 (180deg=-1.24!) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HE2:sc= -0.137 X(o=-0.14,f=-0.41) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.205 -3.595 23.945 1.00 0.00 N ATOM 2 CA PHE A 1 94.463 -4.146 25.116 1.00 0.00 C ATOM 3 C PHE A 1 94.053 -3.008 26.050 1.00 0.00 C ATOM 4 O PHE A 1 92.890 -2.701 26.201 1.00 0.00 O ATOM 5 CB PHE A 1 95.366 -5.115 25.887 1.00 0.00 C ATOM 6 CG PHE A 1 95.507 -6.417 25.128 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.421 -6.506 24.072 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.738 -7.537 25.484 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.569 -7.704 23.370 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.885 -8.737 24.779 1.00 0.00 C ATOM 11 CZ PHE A 1 95.801 -8.820 23.723 1.00 0.00 C ATOM 0 H1 PHE A 1 95.791 -4.343 23.522 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.527 -3.244 23.238 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.815 -2.813 24.257 1.00 0.00 H new ATOM 0 HA PHE A 1 93.576 -4.668 24.759 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.348 -4.666 26.038 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.947 -5.305 26.875 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.014 -5.645 23.799 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.034 -7.472 26.301 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.275 -7.770 22.556 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.292 -9.599 25.049 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.915 -9.747 23.180 1.00 0.00 H new ATOM 23 N LEU A 2 95.004 -2.397 26.703 1.00 0.00 N ATOM 24 CA LEU A 2 94.668 -1.308 27.663 1.00 0.00 C ATOM 25 C LEU A 2 94.174 -0.057 26.928 1.00 0.00 C ATOM 26 O LEU A 2 93.318 0.655 27.415 1.00 0.00 O ATOM 27 CB LEU A 2 95.916 -0.955 28.480 1.00 0.00 C ATOM 28 CG LEU A 2 96.551 -2.230 29.060 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.650 -1.846 30.058 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.487 -3.072 29.775 1.00 0.00 C ATOM 0 H LEU A 2 95.999 -2.605 26.613 1.00 0.00 H new ATOM 0 HA LEU A 2 93.871 -1.659 28.319 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.637 -0.436 27.849 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.650 -0.273 29.288 1.00 0.00 H new ATOM 0 HG LEU A 2 96.980 -2.814 28.246 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.100 -2.750 30.469 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.415 -1.259 29.549 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.218 -1.256 30.866 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.948 -3.972 30.182 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.048 -2.491 30.586 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.708 -3.352 29.066 1.00 0.00 H new ATOM 42 N ASP A 3 94.706 0.231 25.775 1.00 0.00 N ATOM 43 CA ASP A 3 94.269 1.456 25.039 1.00 0.00 C ATOM 44 C ASP A 3 92.790 1.353 24.640 1.00 0.00 C ATOM 45 O ASP A 3 92.022 2.282 24.816 1.00 0.00 O ATOM 46 CB ASP A 3 95.127 1.608 23.785 1.00 0.00 C ATOM 47 CG ASP A 3 96.566 1.924 24.190 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.750 2.469 25.269 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.459 1.617 23.417 1.00 0.00 O ATOM 0 H ASP A 3 95.423 -0.325 25.308 1.00 0.00 H new ATOM 0 HA ASP A 3 94.389 2.324 25.688 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.096 0.691 23.197 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.732 2.405 23.155 1.00 0.00 H new ATOM 54 N GLY A 4 92.378 0.237 24.113 1.00 0.00 N ATOM 55 CA GLY A 4 90.949 0.088 23.712 1.00 0.00 C ATOM 56 C GLY A 4 90.082 -0.030 24.964 1.00 0.00 C ATOM 57 O GLY A 4 89.018 0.551 25.056 1.00 0.00 O ATOM 0 H GLY A 4 92.966 -0.579 23.942 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.635 0.946 23.118 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.825 -0.796 23.086 1.00 0.00 H new ATOM 61 N ILE A 5 90.533 -0.780 25.933 1.00 0.00 N ATOM 62 CA ILE A 5 89.743 -0.931 27.187 1.00 0.00 C ATOM 63 C ILE A 5 89.557 0.431 27.850 1.00 0.00 C ATOM 64 O ILE A 5 88.505 0.726 28.383 1.00 0.00 O ATOM 65 CB ILE A 5 90.487 -1.875 28.141 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.463 -3.289 27.545 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.805 -1.887 29.518 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.529 -4.169 28.208 1.00 0.00 C ATOM 0 H ILE A 5 91.414 -1.294 25.910 1.00 0.00 H new ATOM 0 HA ILE A 5 88.763 -1.346 26.952 1.00 0.00 H new ATOM 0 HB ILE A 5 91.515 -1.533 28.265 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.477 -3.733 27.686 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.640 -3.240 26.471 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.343 -2.561 30.185 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.812 -0.880 29.936 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.775 -2.228 29.411 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.498 -5.168 27.773 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.514 -3.733 28.044 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.334 -4.233 29.278 1.00 0.00 H new ATOM 80 N ASP A 6 90.561 1.262 27.833 1.00 0.00 N ATOM 81 CA ASP A 6 90.414 2.588 28.490 1.00 0.00 C ATOM 82 C ASP A 6 89.207 3.307 27.890 1.00 0.00 C ATOM 83 O ASP A 6 88.358 3.795 28.605 1.00 0.00 O ATOM 84 CB ASP A 6 91.688 3.414 28.278 1.00 0.00 C ATOM 85 CG ASP A 6 91.647 4.656 29.170 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.554 5.066 29.537 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.711 5.174 29.479 1.00 0.00 O ATOM 0 H ASP A 6 91.466 1.083 27.398 1.00 0.00 H new ATOM 0 HA ASP A 6 90.260 2.458 29.561 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.567 2.813 28.513 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.774 3.708 27.232 1.00 0.00 H new ATOM 92 N LYS A 7 89.094 3.354 26.592 1.00 0.00 N ATOM 93 CA LYS A 7 87.901 4.032 25.999 1.00 0.00 C ATOM 94 C LYS A 7 86.649 3.198 26.287 1.00 0.00 C ATOM 95 O LYS A 7 85.600 3.724 26.607 1.00 0.00 O ATOM 96 CB LYS A 7 88.073 4.172 24.482 1.00 0.00 C ATOM 97 CG LYS A 7 89.203 5.158 24.186 1.00 0.00 C ATOM 98 CD LYS A 7 89.313 5.390 22.675 1.00 0.00 C ATOM 99 CE LYS A 7 90.506 6.307 22.394 1.00 0.00 C ATOM 100 NZ LYS A 7 90.711 6.422 20.920 1.00 0.00 N ATOM 0 H LYS A 7 89.759 2.962 25.925 1.00 0.00 H new ATOM 0 HA LYS A 7 87.800 5.023 26.441 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.298 3.201 24.040 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.144 4.521 24.031 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.015 6.103 24.695 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.146 4.770 24.572 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.439 4.439 22.157 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.395 5.840 22.296 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.330 7.293 22.825 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.404 5.908 22.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.522 7.045 20.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 90.897 5.480 20.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 89.857 6.821 20.481 1.00 0.00 H new ATOM 114 N ALA A 8 86.753 1.902 26.178 1.00 0.00 N ATOM 115 CA ALA A 8 85.575 1.034 26.448 1.00 0.00 C ATOM 116 C ALA A 8 85.198 1.115 27.930 1.00 0.00 C ATOM 117 O ALA A 8 84.035 1.148 28.286 1.00 0.00 O ATOM 118 CB ALA A 8 85.928 -0.411 26.069 1.00 0.00 C ATOM 0 H ALA A 8 87.605 1.407 25.913 1.00 0.00 H new ATOM 0 HA ALA A 8 84.724 1.369 25.856 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.072 -1.057 26.263 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.186 -0.457 25.011 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.777 -0.746 26.664 1.00 0.00 H new ATOM 124 N GLN A 9 86.172 1.138 28.797 1.00 0.00 N ATOM 125 CA GLN A 9 85.862 1.199 30.249 1.00 0.00 C ATOM 126 C GLN A 9 84.975 2.409 30.534 1.00 0.00 C ATOM 127 O GLN A 9 84.042 2.334 31.313 1.00 0.00 O ATOM 128 CB GLN A 9 87.158 1.329 31.047 1.00 0.00 C ATOM 129 CG GLN A 9 86.846 1.162 32.531 1.00 0.00 C ATOM 130 CD GLN A 9 88.124 1.342 33.349 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.205 1.392 32.801 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.040 1.452 34.645 1.00 0.00 N ATOM 0 H GLN A 9 87.164 1.117 28.562 1.00 0.00 H new ATOM 0 HA GLN A 9 85.342 0.287 30.541 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.875 0.574 30.726 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.616 2.301 30.866 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.099 1.893 32.840 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.421 0.175 32.714 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.129 1.410 35.102 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.885 1.581 35.202 1.00 0.00 H new ATOM 141 N GLU A 10 85.248 3.520 29.903 1.00 0.00 N ATOM 142 CA GLU A 10 84.403 4.722 30.136 1.00 0.00 C ATOM 143 C GLU A 10 82.971 4.425 29.691 1.00 0.00 C ATOM 144 O GLU A 10 82.020 4.804 30.344 1.00 0.00 O ATOM 145 CB GLU A 10 84.961 5.900 29.335 1.00 0.00 C ATOM 146 CG GLU A 10 84.227 7.184 29.725 1.00 0.00 C ATOM 147 CD GLU A 10 84.744 8.347 28.875 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.641 8.122 28.080 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.228 9.444 29.029 1.00 0.00 O ATOM 0 H GLU A 10 86.014 3.645 29.241 1.00 0.00 H new ATOM 0 HA GLU A 10 84.407 4.976 31.196 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.029 6.008 29.525 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.845 5.714 28.267 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.154 7.061 29.578 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.381 7.396 30.783 1.00 0.00 H new ATOM 156 N GLU A 11 82.804 3.739 28.595 1.00 0.00 N ATOM 157 CA GLU A 11 81.426 3.416 28.130 1.00 0.00 C ATOM 158 C GLU A 11 80.736 2.564 29.197 1.00 0.00 C ATOM 159 O GLU A 11 79.574 2.746 29.492 1.00 0.00 O ATOM 160 CB GLU A 11 81.492 2.651 26.802 1.00 0.00 C ATOM 161 CG GLU A 11 80.121 2.673 26.111 1.00 0.00 C ATOM 162 CD GLU A 11 79.865 4.053 25.500 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.658 4.943 25.747 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.878 4.193 24.797 1.00 0.00 O ATOM 0 H GLU A 11 83.558 3.389 28.003 1.00 0.00 H new ATOM 0 HA GLU A 11 80.860 4.334 27.973 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.243 3.100 26.152 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.801 1.621 26.982 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.084 1.910 25.334 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.338 2.434 26.831 1.00 0.00 H new ATOM 171 N HIS A 12 81.450 1.636 29.783 1.00 0.00 N ATOM 172 CA HIS A 12 80.834 0.779 30.838 1.00 0.00 C ATOM 173 C HIS A 12 80.350 1.645 32.002 1.00 0.00 C ATOM 174 O HIS A 12 79.253 1.484 32.495 1.00 0.00 O ATOM 175 CB HIS A 12 81.855 -0.235 31.369 1.00 0.00 C ATOM 176 CG HIS A 12 81.139 -1.146 32.323 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.839 -2.477 32.012 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.573 -0.908 33.550 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.108 -2.980 33.037 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.935 -2.057 33.970 1.00 0.00 N ATOM 0 H HIS A 12 82.429 1.436 29.577 1.00 0.00 H new ATOM 0 HA HIS A 12 79.991 0.249 30.395 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.290 -0.806 30.548 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.676 0.276 31.872 1.00 0.00 H new ATOM 0 HD1 HIS A 12 81.119 -2.977 31.168 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.619 0.023 34.096 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.723 -3.988 33.085 1.00 0.00 H new ATOM 188 N GLU A 13 81.169 2.549 32.454 1.00 0.00 N ATOM 189 CA GLU A 13 80.768 3.425 33.593 1.00 0.00 C ATOM 190 C GLU A 13 79.518 4.241 33.242 1.00 0.00 C ATOM 191 O GLU A 13 78.628 4.413 34.052 1.00 0.00 O ATOM 192 CB GLU A 13 81.920 4.385 33.907 1.00 0.00 C ATOM 193 CG GLU A 13 81.615 5.155 35.194 1.00 0.00 C ATOM 194 CD GLU A 13 82.751 6.141 35.475 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.778 6.028 34.826 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.573 6.990 36.330 1.00 0.00 O ATOM 0 H GLU A 13 82.104 2.722 32.084 1.00 0.00 H new ATOM 0 HA GLU A 13 80.543 2.799 34.456 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.850 3.828 34.017 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.061 5.081 33.080 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.670 5.689 35.096 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.505 4.462 36.028 1.00 0.00 H new ATOM 203 N LYS A 14 79.467 4.776 32.057 1.00 0.00 N ATOM 204 CA LYS A 14 78.301 5.619 31.658 1.00 0.00 C ATOM 205 C LYS A 14 76.978 4.837 31.673 1.00 0.00 C ATOM 206 O LYS A 14 75.933 5.413 31.902 1.00 0.00 O ATOM 207 CB LYS A 14 78.534 6.170 30.251 1.00 0.00 C ATOM 208 CG LYS A 14 79.703 7.161 30.277 1.00 0.00 C ATOM 209 CD LYS A 14 80.091 7.564 28.845 1.00 0.00 C ATOM 210 CE LYS A 14 79.125 8.629 28.307 1.00 0.00 C ATOM 211 NZ LYS A 14 79.117 9.807 29.219 1.00 0.00 N ATOM 0 H LYS A 14 80.185 4.667 31.341 1.00 0.00 H new ATOM 0 HA LYS A 14 78.219 6.426 32.386 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.750 5.355 29.561 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.633 6.664 29.889 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.426 8.046 30.849 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.559 6.711 30.780 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.110 7.950 28.833 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.074 6.688 28.197 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.427 8.935 27.305 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.120 8.214 28.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.832 10.655 28.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.444 9.641 29.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 80.070 9.949 29.612 1.00 0.00 H new ATOM 225 N TYR A 15 76.988 3.558 31.376 1.00 0.00 N ATOM 226 CA TYR A 15 75.688 2.800 31.311 1.00 0.00 C ATOM 227 C TYR A 15 75.785 1.395 31.928 1.00 0.00 C ATOM 228 O TYR A 15 74.811 0.672 31.964 1.00 0.00 O ATOM 229 CB TYR A 15 75.326 2.646 29.835 1.00 0.00 C ATOM 230 CG TYR A 15 75.544 3.956 29.118 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.537 4.927 29.125 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.745 4.194 28.428 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.727 6.138 28.448 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.930 5.403 27.749 1.00 0.00 C ATOM 235 CZ TYR A 15 75.922 6.377 27.758 1.00 0.00 C ATOM 236 OH TYR A 15 76.104 7.566 27.082 1.00 0.00 O ATOM 0 H TYR A 15 77.825 3.009 31.178 1.00 0.00 H new ATOM 0 HA TYR A 15 74.940 3.355 31.877 1.00 0.00 H new ATOM 0 HB2 TYR A 15 75.936 1.866 29.380 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.286 2.335 29.736 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.613 4.743 29.653 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.523 3.445 28.422 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.951 6.889 28.458 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.852 5.586 27.217 1.00 0.00 H new ATOM 0 HH TYR A 15 75.601 8.277 27.530 1.00 0.00 H new ATOM 246 N HIS A 16 76.938 0.972 32.356 1.00 0.00 N ATOM 247 CA HIS A 16 77.063 -0.416 32.907 1.00 0.00 C ATOM 248 C HIS A 16 76.530 -1.369 31.841 1.00 0.00 C ATOM 249 O HIS A 16 75.773 -2.273 32.118 1.00 0.00 O ATOM 250 CB HIS A 16 76.255 -0.601 34.206 1.00 0.00 C ATOM 251 CG HIS A 16 76.938 0.058 35.384 1.00 0.00 C ATOM 252 ND1 HIS A 16 77.997 -0.507 36.095 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.673 1.239 36.048 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.330 0.295 37.113 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.549 1.380 37.132 1.00 0.00 N ATOM 0 H HIS A 16 77.799 1.519 32.351 1.00 0.00 H new ATOM 0 HA HIS A 16 78.107 -0.614 33.150 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.258 -0.178 34.079 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.127 -1.665 34.407 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.906 1.948 35.773 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.120 0.094 37.821 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.584 2.151 37.798 1.00 0.00 H new ATOM 263 N SER A 17 76.908 -1.147 30.615 1.00 0.00 N ATOM 264 CA SER A 17 76.409 -2.006 29.512 1.00 0.00 C ATOM 265 C SER A 17 76.968 -3.422 29.648 1.00 0.00 C ATOM 266 O SER A 17 77.997 -3.641 30.259 1.00 0.00 O ATOM 267 CB SER A 17 76.861 -1.416 28.184 1.00 0.00 C ATOM 268 OG SER A 17 78.276 -1.495 28.101 1.00 0.00 O ATOM 0 H SER A 17 77.545 -0.403 30.330 1.00 0.00 H new ATOM 0 HA SER A 17 75.321 -2.049 29.556 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.404 -1.958 27.356 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.536 -0.379 28.103 1.00 0.00 H new ATOM 0 HG SER A 17 78.575 -1.118 27.247 1.00 0.00 H new ATOM 274 N ASN A 18 76.300 -4.388 29.071 1.00 0.00 N ATOM 275 CA ASN A 18 76.796 -5.791 29.153 1.00 0.00 C ATOM 276 C ASN A 18 78.008 -5.944 28.243 1.00 0.00 C ATOM 277 O ASN A 18 78.213 -5.169 27.331 1.00 0.00 O ATOM 278 CB ASN A 18 75.700 -6.766 28.715 1.00 0.00 C ATOM 279 CG ASN A 18 74.498 -6.648 29.658 1.00 0.00 C ATOM 280 OD1 ASN A 18 73.422 -6.275 29.241 1.00 0.00 O ATOM 281 ND2 ASN A 18 74.639 -6.959 30.917 1.00 0.00 N ATOM 0 H ASN A 18 75.433 -4.264 28.547 1.00 0.00 H new ATOM 0 HA ASN A 18 77.074 -6.015 30.183 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.394 -6.549 27.691 1.00 0.00 H new ATOM 0 HB3 ASN A 18 76.083 -7.787 28.724 1.00 0.00 H new ATOM 0 HD21 ASN A 18 73.844 -6.889 31.552 1.00 0.00 H new ATOM 0 HD22 ASN A 18 75.544 -7.273 31.267 1.00 0.00 H new ATOM 288 N TRP A 19 78.818 -6.928 28.488 1.00 0.00 N ATOM 289 CA TRP A 19 80.026 -7.127 27.645 1.00 0.00 C ATOM 290 C TRP A 19 79.628 -7.298 26.181 1.00 0.00 C ATOM 291 O TRP A 19 80.363 -6.937 25.286 1.00 0.00 O ATOM 292 CB TRP A 19 80.797 -8.358 28.125 1.00 0.00 C ATOM 293 CG TRP A 19 80.028 -9.611 27.845 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.199 -10.236 28.717 1.00 0.00 C ATOM 295 CD2 TRP A 19 80.017 -10.405 26.630 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.685 -11.367 28.108 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.159 -11.513 26.817 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.666 -10.265 25.394 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.955 -12.456 25.808 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.464 -11.208 24.377 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.610 -12.301 24.582 1.00 0.00 C ATOM 0 H TRP A 19 78.697 -7.608 29.239 1.00 0.00 H new ATOM 0 HA TRP A 19 80.665 -6.248 27.733 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.766 -8.402 27.628 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.991 -8.277 29.195 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.977 -9.906 29.721 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.036 -12.014 28.556 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.325 -9.426 25.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.298 -13.297 25.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.969 -11.092 23.430 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.458 -13.023 23.793 1.00 0.00 H new ATOM 312 N ARG A 20 78.476 -7.843 25.919 1.00 0.00 N ATOM 313 CA ARG A 20 78.062 -8.028 24.499 1.00 0.00 C ATOM 314 C ARG A 20 77.973 -6.671 23.813 1.00 0.00 C ATOM 315 O ARG A 20 78.342 -6.516 22.668 1.00 0.00 O ATOM 316 CB ARG A 20 76.692 -8.711 24.440 1.00 0.00 C ATOM 317 CG ARG A 20 76.778 -10.094 25.083 1.00 0.00 C ATOM 318 CD ARG A 20 75.427 -10.802 24.960 1.00 0.00 C ATOM 319 NE ARG A 20 74.370 -9.976 25.611 1.00 0.00 N ATOM 320 CZ ARG A 20 73.109 -10.207 25.357 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.767 -11.160 24.534 1.00 0.00 N ATOM 322 NH2 ARG A 20 72.186 -9.475 25.911 1.00 0.00 N ATOM 0 H ARG A 20 77.807 -8.167 26.618 1.00 0.00 H new ATOM 0 HA ARG A 20 78.800 -8.650 23.992 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.950 -8.104 24.958 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.364 -8.801 23.404 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.555 -10.684 24.597 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.057 -10.002 26.133 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.183 -10.962 23.910 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.476 -11.785 25.429 1.00 0.00 H new ATOM 0 HE ARG A 20 74.631 -9.230 26.255 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.485 -11.729 24.086 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.781 -11.336 24.339 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.446 -8.719 26.545 1.00 0.00 H new ATOM 0 HH22 ARG A 20 71.202 -9.657 25.711 1.00 0.00 H new ATOM 336 N ALA A 21 77.469 -5.693 24.507 1.00 0.00 N ATOM 337 CA ALA A 21 77.338 -4.340 23.905 1.00 0.00 C ATOM 338 C ALA A 21 78.719 -3.715 23.697 1.00 0.00 C ATOM 339 O ALA A 21 79.033 -3.220 22.635 1.00 0.00 O ATOM 340 CB ALA A 21 76.495 -3.469 24.844 1.00 0.00 C ATOM 0 H ALA A 21 77.141 -5.772 25.469 1.00 0.00 H new ATOM 0 HA ALA A 21 76.851 -4.413 22.932 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.389 -2.472 24.417 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.509 -3.917 24.969 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.987 -3.398 25.814 1.00 0.00 H new ATOM 346 N MET A 22 79.546 -3.731 24.700 1.00 0.00 N ATOM 347 CA MET A 22 80.905 -3.141 24.549 1.00 0.00 C ATOM 348 C MET A 22 81.661 -3.874 23.453 1.00 0.00 C ATOM 349 O MET A 22 82.385 -3.282 22.681 1.00 0.00 O ATOM 350 CB MET A 22 81.661 -3.271 25.860 1.00 0.00 C ATOM 351 CG MET A 22 81.026 -2.348 26.896 1.00 0.00 C ATOM 352 SD MET A 22 82.054 -2.313 28.381 1.00 0.00 S ATOM 353 CE MET A 22 81.707 -3.999 28.939 1.00 0.00 C ATOM 0 H MET A 22 79.342 -4.126 25.618 1.00 0.00 H new ATOM 0 HA MET A 22 80.815 -2.088 24.283 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.634 -4.303 26.209 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.710 -3.011 25.717 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.923 -1.342 26.488 1.00 0.00 H new ATOM 0 HG3 MET A 22 80.023 -2.696 27.143 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.088 -4.133 29.952 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.631 -4.171 28.930 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.193 -4.710 28.272 1.00 0.00 H new ATOM 363 N ALA A 23 81.507 -5.162 23.386 1.00 0.00 N ATOM 364 CA ALA A 23 82.227 -5.931 22.340 1.00 0.00 C ATOM 365 C ALA A 23 81.862 -5.386 20.963 1.00 0.00 C ATOM 366 O ALA A 23 82.716 -5.139 20.141 1.00 0.00 O ATOM 367 CB ALA A 23 81.831 -7.404 22.427 1.00 0.00 C ATOM 0 H ALA A 23 80.916 -5.715 24.007 1.00 0.00 H new ATOM 0 HA ALA A 23 83.302 -5.834 22.494 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.360 -7.969 21.659 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.094 -7.794 23.410 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.756 -7.501 22.274 1.00 0.00 H new ATOM 373 N SER A 24 80.605 -5.195 20.704 1.00 0.00 N ATOM 374 CA SER A 24 80.196 -4.669 19.374 1.00 0.00 C ATOM 375 C SER A 24 80.656 -3.218 19.220 1.00 0.00 C ATOM 376 O SER A 24 81.033 -2.786 18.145 1.00 0.00 O ATOM 377 CB SER A 24 78.674 -4.734 19.256 1.00 0.00 C ATOM 378 OG SER A 24 78.285 -4.434 17.918 1.00 0.00 O ATOM 0 H SER A 24 79.841 -5.379 21.354 1.00 0.00 H new ATOM 0 HA SER A 24 80.656 -5.273 18.591 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.320 -5.726 19.535 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.215 -4.026 19.946 1.00 0.00 H new ATOM 0 HG SER A 24 77.309 -4.478 17.844 1.00 0.00 H new ATOM 384 N ASP A 25 80.618 -2.460 20.277 1.00 0.00 N ATOM 385 CA ASP A 25 81.030 -1.030 20.185 1.00 0.00 C ATOM 386 C ASP A 25 82.484 -0.922 19.722 1.00 0.00 C ATOM 387 O ASP A 25 82.828 -0.057 18.946 1.00 0.00 O ATOM 388 CB ASP A 25 80.897 -0.381 21.562 1.00 0.00 C ATOM 389 CG ASP A 25 79.420 -0.247 21.936 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.597 -0.291 21.040 1.00 0.00 O ATOM 391 OD2 ASP A 25 79.137 -0.104 23.113 1.00 0.00 O ATOM 0 H ASP A 25 80.319 -2.767 21.203 1.00 0.00 H new ATOM 0 HA ASP A 25 80.389 -0.523 19.464 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.417 -0.982 22.308 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.370 0.601 21.558 1.00 0.00 H new ATOM 396 N PHE A 26 83.342 -1.784 20.206 1.00 0.00 N ATOM 397 CA PHE A 26 84.786 -1.735 19.812 1.00 0.00 C ATOM 398 C PHE A 26 85.159 -2.991 19.023 1.00 0.00 C ATOM 399 O PHE A 26 86.298 -3.169 18.630 1.00 0.00 O ATOM 400 CB PHE A 26 85.632 -1.649 21.079 1.00 0.00 C ATOM 401 CG PHE A 26 85.272 -0.386 21.831 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.223 -0.391 22.759 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.991 0.792 21.597 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.893 0.779 23.454 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.662 1.963 22.291 1.00 0.00 C ATOM 406 CZ PHE A 26 84.613 1.956 23.219 1.00 0.00 C ATOM 0 H PHE A 26 83.103 -2.527 20.863 1.00 0.00 H new ATOM 0 HA PHE A 26 84.967 -0.864 19.182 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.458 -2.523 21.707 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.692 -1.645 20.824 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.667 -1.299 22.939 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.800 0.798 20.881 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.084 0.773 24.170 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.217 2.872 22.111 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.359 2.859 23.754 1.00 0.00 H new ATOM 416 N ASN A 27 84.216 -3.860 18.789 1.00 0.00 N ATOM 417 CA ASN A 27 84.513 -5.107 18.026 1.00 0.00 C ATOM 418 C ASN A 27 85.648 -5.883 18.703 1.00 0.00 C ATOM 419 O ASN A 27 86.551 -6.363 18.049 1.00 0.00 O ATOM 420 CB ASN A 27 84.909 -4.757 16.586 1.00 0.00 C ATOM 421 CG ASN A 27 83.725 -4.088 15.882 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.589 -4.314 16.241 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.946 -3.265 14.895 1.00 0.00 N ATOM 0 H ASN A 27 83.248 -3.761 19.094 1.00 0.00 H new ATOM 0 HA ASN A 27 83.619 -5.730 18.010 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.771 -4.090 16.586 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.204 -5.658 16.049 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.163 -2.811 14.425 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.902 -3.075 14.593 1.00 0.00 H new ATOM 430 N LEU A 28 85.603 -6.026 20.007 1.00 0.00 N ATOM 431 CA LEU A 28 86.678 -6.788 20.731 1.00 0.00 C ATOM 432 C LEU A 28 86.095 -8.125 21.197 1.00 0.00 C ATOM 433 O LEU A 28 84.910 -8.221 21.445 1.00 0.00 O ATOM 434 CB LEU A 28 87.128 -5.979 21.955 1.00 0.00 C ATOM 435 CG LEU A 28 87.843 -4.696 21.502 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.934 -3.727 22.686 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.259 -5.015 20.982 1.00 0.00 C ATOM 0 H LEU A 28 84.868 -5.648 20.604 1.00 0.00 H new ATOM 0 HA LEU A 28 87.530 -6.959 20.073 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.265 -5.726 22.572 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.796 -6.579 22.572 1.00 0.00 H new ATOM 0 HG LEU A 28 87.274 -4.241 20.691 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.440 -2.815 22.371 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.930 -3.483 23.035 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.496 -4.193 23.495 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.747 -4.093 20.667 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.842 -5.481 21.777 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.190 -5.697 20.135 1.00 0.00 H new ATOM 449 N PRO A 29 86.900 -9.159 21.317 1.00 0.00 N ATOM 450 CA PRO A 29 86.399 -10.488 21.764 1.00 0.00 C ATOM 451 C PRO A 29 85.812 -10.416 23.188 1.00 0.00 C ATOM 452 O PRO A 29 86.237 -9.610 23.996 1.00 0.00 O ATOM 453 CB PRO A 29 87.639 -11.400 21.720 1.00 0.00 C ATOM 454 CG PRO A 29 88.815 -10.472 21.729 1.00 0.00 C ATOM 455 CD PRO A 29 88.348 -9.186 21.045 1.00 0.00 C ATOM 0 HA PRO A 29 85.591 -10.857 21.132 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.663 -12.073 22.577 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.637 -12.023 20.826 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.146 -10.273 22.748 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.661 -10.910 21.199 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.850 -8.309 21.454 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.555 -9.202 19.975 1.00 0.00 H new ATOM 463 N PRO A 30 84.839 -11.243 23.494 1.00 0.00 N ATOM 464 CA PRO A 30 84.192 -11.249 24.834 1.00 0.00 C ATOM 465 C PRO A 30 85.190 -11.124 25.984 1.00 0.00 C ATOM 466 O PRO A 30 84.926 -10.499 26.986 1.00 0.00 O ATOM 467 CB PRO A 30 83.476 -12.611 24.912 1.00 0.00 C ATOM 468 CG PRO A 30 83.341 -13.112 23.496 1.00 0.00 C ATOM 469 CD PRO A 30 84.253 -12.256 22.598 1.00 0.00 C ATOM 0 HA PRO A 30 83.524 -10.394 24.938 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.047 -13.314 25.518 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.497 -12.507 25.381 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.624 -14.163 23.435 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.305 -13.041 23.164 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.028 -12.864 22.131 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.686 -11.789 21.793 1.00 0.00 H new ATOM 477 N VAL A 31 86.314 -11.749 25.868 1.00 0.00 N ATOM 478 CA VAL A 31 87.296 -11.704 26.982 1.00 0.00 C ATOM 479 C VAL A 31 87.598 -10.264 27.358 1.00 0.00 C ATOM 480 O VAL A 31 87.558 -9.895 28.513 1.00 0.00 O ATOM 481 CB VAL A 31 88.589 -12.381 26.530 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.631 -12.377 27.665 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.284 -13.822 26.125 1.00 0.00 C ATOM 0 H VAL A 31 86.601 -12.291 25.053 1.00 0.00 H new ATOM 0 HA VAL A 31 86.879 -12.219 27.848 1.00 0.00 H new ATOM 0 HB VAL A 31 88.997 -11.831 25.682 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.544 -12.864 27.322 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.853 -11.349 27.951 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.234 -12.915 28.525 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.203 -14.311 25.801 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.868 -14.359 26.977 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.564 -13.825 25.307 1.00 0.00 H new ATOM 493 N VAL A 32 87.929 -9.448 26.407 1.00 0.00 N ATOM 494 CA VAL A 32 88.259 -8.046 26.754 1.00 0.00 C ATOM 495 C VAL A 32 87.020 -7.362 27.328 1.00 0.00 C ATOM 496 O VAL A 32 87.070 -6.730 28.366 1.00 0.00 O ATOM 497 CB VAL A 32 88.728 -7.295 25.506 1.00 0.00 C ATOM 498 CG1 VAL A 32 89.080 -5.851 25.882 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.964 -7.984 24.920 1.00 0.00 C ATOM 0 H VAL A 32 87.985 -9.685 25.417 1.00 0.00 H new ATOM 0 HA VAL A 32 89.059 -8.038 27.495 1.00 0.00 H new ATOM 0 HB VAL A 32 87.929 -7.296 24.764 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.414 -5.315 24.994 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.200 -5.357 26.294 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.877 -5.853 26.626 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.294 -7.445 24.032 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.764 -7.987 25.660 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.715 -9.010 24.650 1.00 0.00 H new ATOM 509 N ALA A 33 85.904 -7.498 26.667 1.00 0.00 N ATOM 510 CA ALA A 33 84.657 -6.861 27.180 1.00 0.00 C ATOM 511 C ALA A 33 84.251 -7.514 28.502 1.00 0.00 C ATOM 512 O ALA A 33 83.902 -6.843 29.451 1.00 0.00 O ATOM 513 CB ALA A 33 83.537 -7.029 26.148 1.00 0.00 C ATOM 0 H ALA A 33 85.801 -8.020 25.797 1.00 0.00 H new ATOM 0 HA ALA A 33 84.834 -5.799 27.349 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.625 -6.564 26.522 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.830 -6.553 25.212 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.358 -8.090 25.975 1.00 0.00 H new ATOM 519 N LYS A 34 84.284 -8.818 28.573 1.00 0.00 N ATOM 520 CA LYS A 34 83.899 -9.499 29.839 1.00 0.00 C ATOM 521 C LYS A 34 84.817 -9.061 30.984 1.00 0.00 C ATOM 522 O LYS A 34 84.380 -8.909 32.106 1.00 0.00 O ATOM 523 CB LYS A 34 83.958 -11.020 29.655 1.00 0.00 C ATOM 524 CG LYS A 34 82.806 -11.467 28.746 1.00 0.00 C ATOM 525 CD LYS A 34 82.992 -12.937 28.346 1.00 0.00 C ATOM 526 CE LYS A 34 82.751 -13.844 29.556 1.00 0.00 C ATOM 527 NZ LYS A 34 82.529 -15.242 29.088 1.00 0.00 N ATOM 0 H LYS A 34 84.560 -9.437 27.811 1.00 0.00 H new ATOM 0 HA LYS A 34 82.878 -9.216 30.093 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.914 -11.308 29.218 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.887 -11.518 30.622 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.854 -11.340 29.262 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.771 -10.841 27.855 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.300 -13.195 27.544 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.999 -13.093 27.959 1.00 0.00 H new ATOM 0 HE2 LYS A 34 83.607 -13.806 30.230 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.886 -13.495 30.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.365 -15.861 29.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.700 -15.271 28.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.367 -15.571 28.568 1.00 0.00 H new ATOM 541 N GLU A 35 86.082 -8.863 30.726 1.00 0.00 N ATOM 542 CA GLU A 35 86.988 -8.448 31.835 1.00 0.00 C ATOM 543 C GLU A 35 86.528 -7.114 32.427 1.00 0.00 C ATOM 544 O GLU A 35 86.552 -6.923 33.625 1.00 0.00 O ATOM 545 CB GLU A 35 88.419 -8.324 31.306 1.00 0.00 C ATOM 546 CG GLU A 35 89.402 -8.154 32.479 1.00 0.00 C ATOM 547 CD GLU A 35 89.436 -6.692 32.944 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.157 -5.819 32.134 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.750 -6.470 34.104 1.00 0.00 O ATOM 0 H GLU A 35 86.521 -8.968 29.812 1.00 0.00 H new ATOM 0 HA GLU A 35 86.958 -9.203 32.621 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.680 -9.211 30.728 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.494 -7.471 30.632 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.105 -8.798 33.307 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.400 -8.468 32.173 1.00 0.00 H new ATOM 556 N ILE A 36 86.090 -6.194 31.617 1.00 0.00 N ATOM 557 CA ILE A 36 85.620 -4.904 32.187 1.00 0.00 C ATOM 558 C ILE A 36 84.460 -5.208 33.133 1.00 0.00 C ATOM 559 O ILE A 36 84.343 -4.637 34.201 1.00 0.00 O ATOM 560 CB ILE A 36 85.160 -3.979 31.058 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.347 -3.697 30.134 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.640 -2.661 31.642 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.880 -2.899 28.916 1.00 0.00 C ATOM 0 H ILE A 36 86.037 -6.276 30.602 1.00 0.00 H new ATOM 0 HA ILE A 36 86.423 -4.405 32.729 1.00 0.00 H new ATOM 0 HB ILE A 36 84.358 -4.458 30.497 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.114 -3.140 30.672 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.800 -4.635 29.813 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.314 -2.008 30.832 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.799 -2.864 32.305 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.436 -2.173 32.204 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.730 -2.702 28.263 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.129 -3.472 28.372 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.448 -1.954 29.244 1.00 0.00 H new ATOM 575 N VAL A 37 83.614 -6.126 32.754 1.00 0.00 N ATOM 576 CA VAL A 37 82.473 -6.493 33.634 1.00 0.00 C ATOM 577 C VAL A 37 83.025 -7.147 34.902 1.00 0.00 C ATOM 578 O VAL A 37 82.548 -6.920 35.999 1.00 0.00 O ATOM 579 CB VAL A 37 81.575 -7.493 32.899 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.458 -7.965 33.827 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.963 -6.831 31.659 1.00 0.00 C ATOM 0 H VAL A 37 83.665 -6.637 31.873 1.00 0.00 H new ATOM 0 HA VAL A 37 81.896 -5.605 33.893 1.00 0.00 H new ATOM 0 HB VAL A 37 82.176 -8.349 32.591 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.822 -8.676 33.299 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.892 -8.447 34.703 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.861 -7.109 34.142 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.326 -7.548 31.141 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.368 -5.970 31.963 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.760 -6.504 30.990 1.00 0.00 H new ATOM 591 N ALA A 38 84.037 -7.955 34.747 1.00 0.00 N ATOM 592 CA ALA A 38 84.650 -8.652 35.914 1.00 0.00 C ATOM 593 C ALA A 38 85.144 -7.641 36.947 1.00 0.00 C ATOM 594 O ALA A 38 85.049 -7.862 38.140 1.00 0.00 O ATOM 595 CB ALA A 38 85.844 -9.463 35.426 1.00 0.00 C ATOM 0 H ALA A 38 84.472 -8.165 33.849 1.00 0.00 H new ATOM 0 HA ALA A 38 83.900 -9.295 36.374 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.303 -9.979 36.270 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.510 -10.195 34.691 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.574 -8.796 34.968 1.00 0.00 H new ATOM 601 N SER A 39 85.685 -6.544 36.501 1.00 0.00 N ATOM 602 CA SER A 39 86.199 -5.533 37.459 1.00 0.00 C ATOM 603 C SER A 39 85.030 -4.743 38.047 1.00 0.00 C ATOM 604 O SER A 39 85.128 -4.173 39.115 1.00 0.00 O ATOM 605 CB SER A 39 87.142 -4.578 36.729 1.00 0.00 C ATOM 606 OG SER A 39 88.203 -5.317 36.143 1.00 0.00 O ATOM 0 H SER A 39 85.793 -6.305 35.515 1.00 0.00 H new ATOM 0 HA SER A 39 86.737 -6.035 38.263 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.598 -4.030 35.960 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.540 -3.840 37.425 1.00 0.00 H new ATOM 0 HG SER A 39 88.069 -5.369 35.174 1.00 0.00 H new ATOM 612 N CYS A 40 83.922 -4.709 37.361 1.00 0.00 N ATOM 613 CA CYS A 40 82.746 -3.957 37.882 1.00 0.00 C ATOM 614 C CYS A 40 82.015 -4.818 38.912 1.00 0.00 C ATOM 615 O CYS A 40 81.239 -5.691 38.572 1.00 0.00 O ATOM 616 CB CYS A 40 81.788 -3.630 36.737 1.00 0.00 C ATOM 617 SG CYS A 40 80.354 -2.749 37.408 1.00 0.00 S ATOM 0 H CYS A 40 83.780 -5.169 36.462 1.00 0.00 H new ATOM 0 HA CYS A 40 83.089 -3.031 38.343 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.290 -3.018 35.988 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.469 -4.546 36.239 1.00 0.00 H new ATOM 622 N ASP A 41 82.266 -4.579 40.168 1.00 0.00 N ATOM 623 CA ASP A 41 81.601 -5.375 41.240 1.00 0.00 C ATOM 624 C ASP A 41 80.081 -5.203 41.169 1.00 0.00 C ATOM 625 O ASP A 41 79.332 -6.070 41.568 1.00 0.00 O ATOM 626 CB ASP A 41 82.085 -4.897 42.611 1.00 0.00 C ATOM 627 CG ASP A 41 83.572 -5.215 42.782 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.062 -6.077 42.072 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.195 -4.589 43.623 1.00 0.00 O ATOM 0 H ASP A 41 82.908 -3.861 40.502 1.00 0.00 H new ATOM 0 HA ASP A 41 81.854 -6.426 41.097 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.921 -3.824 42.710 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.508 -5.382 43.399 1.00 0.00 H new ATOM 634 N LYS A 42 79.616 -4.081 40.694 1.00 0.00 N ATOM 635 CA LYS A 42 78.146 -3.854 40.643 1.00 0.00 C ATOM 636 C LYS A 42 77.500 -4.774 39.608 1.00 0.00 C ATOM 637 O LYS A 42 76.425 -5.297 39.821 1.00 0.00 O ATOM 638 CB LYS A 42 77.872 -2.389 40.280 1.00 0.00 C ATOM 639 CG LYS A 42 78.416 -1.480 41.385 1.00 0.00 C ATOM 640 CD LYS A 42 77.986 -0.035 41.125 1.00 0.00 C ATOM 641 CE LYS A 42 78.539 0.866 42.232 1.00 0.00 C ATOM 642 NZ LYS A 42 77.714 0.709 43.463 1.00 0.00 N ATOM 0 H LYS A 42 80.188 -3.314 40.340 1.00 0.00 H new ATOM 0 HA LYS A 42 77.717 -4.077 41.620 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.343 -2.145 39.328 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.801 -2.228 40.156 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.046 -1.810 42.356 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.504 -1.545 41.420 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.353 0.296 40.154 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.899 0.033 41.095 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.577 0.606 42.442 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.530 1.906 41.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.015 1.406 44.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.712 0.862 43.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.838 -0.251 43.844 1.00 0.00 H new ATOM 656 N CYS A 43 78.129 -4.973 38.488 1.00 0.00 N ATOM 657 CA CYS A 43 77.527 -5.858 37.451 1.00 0.00 C ATOM 658 C CYS A 43 77.849 -7.328 37.752 1.00 0.00 C ATOM 659 O CYS A 43 76.970 -8.166 37.787 1.00 0.00 O ATOM 660 CB CYS A 43 78.089 -5.477 36.076 1.00 0.00 C ATOM 661 SG CYS A 43 77.338 -3.929 35.511 1.00 0.00 S ATOM 0 H CYS A 43 79.031 -4.564 38.243 1.00 0.00 H new ATOM 0 HA CYS A 43 76.445 -5.730 37.456 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.172 -5.366 36.134 1.00 0.00 H new ATOM 0 HB3 CYS A 43 77.888 -6.272 35.358 1.00 0.00 H new ATOM 666 N GLN A 44 79.097 -7.655 37.958 1.00 0.00 N ATOM 667 CA GLN A 44 79.443 -9.081 38.239 1.00 0.00 C ATOM 668 C GLN A 44 78.954 -9.475 39.633 1.00 0.00 C ATOM 669 O GLN A 44 78.159 -10.382 39.787 1.00 0.00 O ATOM 670 CB GLN A 44 80.957 -9.287 38.152 1.00 0.00 C ATOM 671 CG GLN A 44 81.264 -10.787 38.061 1.00 0.00 C ATOM 672 CD GLN A 44 82.779 -11.004 38.016 1.00 0.00 C ATOM 673 OE1 GLN A 44 83.486 -10.608 38.922 1.00 0.00 O flip ATOM 674 NE2 GLN A 44 83.314 -11.617 36.994 1.00 0.00 N flip ATOM 0 H GLN A 44 79.884 -7.006 37.945 1.00 0.00 H new ATOM 0 HA GLN A 44 78.954 -9.709 37.494 1.00 0.00 H new ATOM 0 HB2 GLN A 44 81.356 -8.770 37.279 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.444 -8.858 39.027 1.00 0.00 H new ATOM 0 HG2 GLN A 44 80.838 -11.307 38.919 1.00 0.00 H new ATOM 0 HG3 GLN A 44 80.800 -11.209 37.170 1.00 0.00 H new ATOM 0 HE21 GLN A 44 82.723 -11.950 36.233 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.323 -11.762 36.958 1.00 0.00 H new ATOM 683 N LEU A 45 79.419 -8.810 40.655 1.00 0.00 N ATOM 684 CA LEU A 45 78.965 -9.166 42.032 1.00 0.00 C ATOM 685 C LEU A 45 77.642 -8.456 42.322 1.00 0.00 C ATOM 686 O LEU A 45 77.611 -7.285 42.637 1.00 0.00 O ATOM 687 CB LEU A 45 80.003 -8.723 43.063 1.00 0.00 C ATOM 688 CG LEU A 45 81.401 -9.161 42.625 1.00 0.00 C ATOM 689 CD1 LEU A 45 82.418 -8.688 43.670 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.450 -10.692 42.503 1.00 0.00 C ATOM 0 H LEU A 45 80.088 -8.042 40.599 1.00 0.00 H new ATOM 0 HA LEU A 45 78.837 -10.247 42.095 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.973 -7.640 43.178 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.767 -9.154 44.036 1.00 0.00 H new ATOM 0 HG LEU A 45 81.640 -8.723 41.656 1.00 0.00 H new ATOM 0 HD11 LEU A 45 83.419 -8.995 43.368 1.00 0.00 H new ATOM 0 HD12 LEU A 45 82.380 -7.602 43.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 82.179 -9.131 44.637 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.448 -11.000 42.191 1.00 0.00 H new ATOM 0 HD22 LEU A 45 81.217 -11.142 43.468 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.720 -11.022 41.763 1.00 0.00 H new ATOM 702 N LYS A 46 76.547 -9.158 42.230 1.00 0.00 N ATOM 703 CA LYS A 46 75.225 -8.526 42.505 1.00 0.00 C ATOM 704 C LYS A 46 74.914 -8.618 44.004 1.00 0.00 C ATOM 705 O LYS A 46 74.023 -7.963 44.501 1.00 0.00 O ATOM 706 CB LYS A 46 74.140 -9.248 41.693 1.00 0.00 C ATOM 707 CG LYS A 46 72.874 -8.391 41.640 1.00 0.00 C ATOM 708 CD LYS A 46 71.791 -9.128 40.850 1.00 0.00 C ATOM 709 CE LYS A 46 70.621 -8.178 40.614 1.00 0.00 C ATOM 710 NZ LYS A 46 71.096 -7.024 39.800 1.00 0.00 N ATOM 0 H LYS A 46 76.510 -10.145 41.976 1.00 0.00 H new ATOM 0 HA LYS A 46 75.250 -7.476 42.214 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.499 -9.444 40.683 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.917 -10.214 42.146 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.522 -8.180 42.650 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.091 -7.431 41.171 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.191 -9.478 39.898 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.457 -10.009 41.399 1.00 0.00 H new ATOM 0 HE2 LYS A 46 69.812 -8.696 40.098 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.220 -7.829 41.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.400 -6.814 39.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.210 -6.191 40.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.010 -7.260 39.363 1.00 0.00 H new ATOM 724 N GLY A 47 75.659 -9.411 44.735 1.00 0.00 N ATOM 725 CA GLY A 47 75.412 -9.515 46.207 1.00 0.00 C ATOM 726 C GLY A 47 74.261 -10.484 46.506 1.00 0.00 C ATOM 727 O GLY A 47 73.558 -10.332 47.487 1.00 0.00 O ATOM 0 H GLY A 47 76.422 -9.987 44.379 1.00 0.00 H new ATOM 0 HA2 GLY A 47 76.318 -9.856 46.708 1.00 0.00 H new ATOM 0 HA3 GLY A 47 75.176 -8.530 46.610 1.00 0.00 H new ATOM 731 N GLU A 48 74.050 -11.468 45.675 1.00 0.00 N ATOM 732 CA GLU A 48 72.934 -12.423 45.938 1.00 0.00 C ATOM 733 C GLU A 48 73.154 -13.127 47.282 1.00 0.00 C ATOM 734 O GLU A 48 72.226 -13.622 47.893 1.00 0.00 O ATOM 735 CB GLU A 48 72.873 -13.454 44.810 1.00 0.00 C ATOM 736 CG GLU A 48 74.119 -14.340 44.857 1.00 0.00 C ATOM 737 CD GLU A 48 74.201 -15.171 43.572 1.00 0.00 C ATOM 738 OE1 GLU A 48 73.351 -16.029 43.382 1.00 0.00 O ATOM 739 OE2 GLU A 48 75.112 -14.936 42.800 1.00 0.00 O ATOM 0 H GLU A 48 74.596 -11.652 44.833 1.00 0.00 H new ATOM 0 HA GLU A 48 71.992 -11.877 45.979 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.976 -14.065 44.910 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.809 -12.950 43.846 1.00 0.00 H new ATOM 0 HG2 GLU A 48 75.012 -13.725 44.963 1.00 0.00 H new ATOM 0 HG3 GLU A 48 74.079 -14.997 45.726 1.00 0.00 H new ATOM 746 N ALA A 49 74.373 -13.175 47.752 1.00 0.00 N ATOM 747 CA ALA A 49 74.652 -13.847 49.058 1.00 0.00 C ATOM 748 C ALA A 49 74.636 -12.805 50.174 1.00 0.00 C ATOM 749 O ALA A 49 75.216 -11.744 50.050 1.00 0.00 O ATOM 750 CB ALA A 49 76.024 -14.512 48.994 1.00 0.00 C ATOM 0 H ALA A 49 75.190 -12.777 47.288 1.00 0.00 H new ATOM 0 HA ALA A 49 73.891 -14.601 49.258 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.234 -15.004 49.943 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.033 -15.251 48.192 1.00 0.00 H new ATOM 0 HB3 ALA A 49 76.786 -13.757 48.800 1.00 0.00 H new ATOM 756 N MET A 50 73.967 -13.093 51.258 1.00 0.00 N ATOM 757 CA MET A 50 73.904 -12.111 52.383 1.00 0.00 C ATOM 758 C MET A 50 73.203 -12.771 53.586 1.00 0.00 C ATOM 759 O MET A 50 72.740 -13.894 53.508 1.00 0.00 O ATOM 760 CB MET A 50 73.115 -10.871 51.914 1.00 0.00 C ATOM 761 CG MET A 50 73.568 -9.609 52.661 1.00 0.00 C ATOM 762 SD MET A 50 72.578 -8.203 52.096 1.00 0.00 S ATOM 763 CE MET A 50 71.283 -8.323 53.350 1.00 0.00 C ATOM 0 H MET A 50 73.461 -13.965 51.415 1.00 0.00 H new ATOM 0 HA MET A 50 74.907 -11.806 52.682 1.00 0.00 H new ATOM 0 HB2 MET A 50 73.255 -10.732 50.842 1.00 0.00 H new ATOM 0 HB3 MET A 50 72.049 -11.031 52.078 1.00 0.00 H new ATOM 0 HG2 MET A 50 73.450 -9.745 53.736 1.00 0.00 H new ATOM 0 HG3 MET A 50 74.626 -9.422 52.478 1.00 0.00 H new ATOM 0 HE1 MET A 50 70.548 -7.534 53.190 1.00 0.00 H new ATOM 0 HE2 MET A 50 70.795 -9.295 53.277 1.00 0.00 H new ATOM 0 HE3 MET A 50 71.724 -8.212 54.341 1.00 0.00 H new ATOM 773 N HIS A 51 73.120 -12.080 54.690 1.00 0.00 N ATOM 774 CA HIS A 51 72.446 -12.655 55.887 1.00 0.00 C ATOM 775 C HIS A 51 71.085 -13.240 55.485 1.00 0.00 C ATOM 776 O HIS A 51 70.641 -14.235 56.029 1.00 0.00 O ATOM 777 CB HIS A 51 72.231 -11.545 56.911 1.00 0.00 C ATOM 778 CG HIS A 51 71.485 -12.087 58.091 1.00 0.00 C ATOM 779 ND1 HIS A 51 71.930 -13.178 58.830 1.00 0.00 N ATOM 780 CD2 HIS A 51 70.320 -11.684 58.678 1.00 0.00 C ATOM 781 CE1 HIS A 51 71.039 -13.388 59.813 1.00 0.00 C ATOM 782 NE2 HIS A 51 70.043 -12.500 59.764 1.00 0.00 N ATOM 0 H HIS A 51 73.492 -11.138 54.814 1.00 0.00 H new ATOM 0 HA HIS A 51 73.066 -13.445 56.312 1.00 0.00 H new ATOM 0 HB2 HIS A 51 73.191 -11.140 57.230 1.00 0.00 H new ATOM 0 HB3 HIS A 51 71.673 -10.724 56.461 1.00 0.00 H new ATOM 0 HD1 HIS A 51 72.777 -13.719 58.657 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.709 -10.857 58.347 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.118 -14.175 60.549 1.00 0.00 H new ATOM 790 N GLY A 52 70.428 -12.636 54.526 1.00 0.00 N ATOM 791 CA GLY A 52 69.099 -13.158 54.071 1.00 0.00 C ATOM 792 C GLY A 52 67.964 -12.450 54.823 1.00 0.00 C ATOM 793 O GLY A 52 66.804 -12.774 54.661 1.00 0.00 O ATOM 0 H GLY A 52 70.754 -11.802 54.037 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.987 -13.001 52.998 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.044 -14.233 54.244 1.00 0.00 H new ATOM 797 N GLN A 53 68.286 -11.485 55.643 1.00 0.00 N ATOM 798 CA GLN A 53 67.224 -10.752 56.396 1.00 0.00 C ATOM 799 C GLN A 53 66.314 -11.753 57.122 1.00 0.00 C ATOM 800 O GLN A 53 65.143 -11.855 56.826 1.00 0.00 O ATOM 801 CB GLN A 53 66.385 -9.924 55.421 1.00 0.00 C ATOM 802 CG GLN A 53 65.571 -8.891 56.198 1.00 0.00 C ATOM 803 CD GLN A 53 64.725 -8.074 55.225 1.00 0.00 C ATOM 804 OE1 GLN A 53 64.965 -8.082 54.032 1.00 0.00 O ATOM 805 NE2 GLN A 53 63.735 -7.371 55.685 1.00 0.00 N ATOM 0 H GLN A 53 69.240 -11.172 55.825 1.00 0.00 H new ATOM 0 HA GLN A 53 67.695 -10.094 57.127 1.00 0.00 H new ATOM 0 HB2 GLN A 53 67.033 -9.425 54.701 1.00 0.00 H new ATOM 0 HB3 GLN A 53 65.720 -10.575 54.854 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.929 -9.390 56.925 1.00 0.00 H new ATOM 0 HG3 GLN A 53 66.237 -8.234 56.758 1.00 0.00 H new ATOM 0 HE21 GLN A 53 63.535 -7.365 56.685 1.00 0.00 H new ATOM 0 HE22 GLN A 53 63.157 -6.825 55.046 1.00 0.00 H new ATOM 814 N VAL A 54 66.836 -12.495 58.070 1.00 0.00 N ATOM 815 CA VAL A 54 65.985 -13.497 58.806 1.00 0.00 C ATOM 816 C VAL A 54 65.467 -12.876 60.105 1.00 0.00 C ATOM 817 O VAL A 54 66.075 -11.988 60.672 1.00 0.00 O ATOM 818 CB VAL A 54 66.807 -14.754 59.131 1.00 0.00 C ATOM 819 CG1 VAL A 54 65.869 -15.938 59.417 1.00 0.00 C ATOM 820 CG2 VAL A 54 67.714 -15.088 57.942 1.00 0.00 C ATOM 0 H VAL A 54 67.811 -12.454 58.368 1.00 0.00 H new ATOM 0 HA VAL A 54 65.143 -13.777 58.173 1.00 0.00 H new ATOM 0 HB VAL A 54 67.417 -14.566 60.015 1.00 0.00 H new ATOM 0 HG11 VAL A 54 66.461 -16.824 59.646 1.00 0.00 H new ATOM 0 HG12 VAL A 54 65.230 -15.699 60.267 1.00 0.00 H new ATOM 0 HG13 VAL A 54 65.250 -16.132 58.541 1.00 0.00 H new ATOM 0 HG21 VAL A 54 68.299 -15.979 58.169 1.00 0.00 H new ATOM 0 HG22 VAL A 54 67.103 -15.271 57.058 1.00 0.00 H new ATOM 0 HG23 VAL A 54 68.387 -14.252 57.751 1.00 0.00 H new ATOM 830 N ASP A 55 64.337 -13.338 60.568 1.00 0.00 N ATOM 831 CA ASP A 55 63.753 -12.782 61.824 1.00 0.00 C ATOM 832 C ASP A 55 62.900 -13.852 62.512 1.00 0.00 C ATOM 833 O ASP A 55 61.768 -14.043 62.095 1.00 0.00 O ATOM 834 CB ASP A 55 62.882 -11.575 61.470 1.00 0.00 C ATOM 835 CG ASP A 55 62.321 -10.948 62.745 1.00 0.00 C ATOM 836 OD1 ASP A 55 62.493 -11.537 63.798 1.00 0.00 O ATOM 837 OD2 ASP A 55 61.722 -9.891 62.648 1.00 0.00 O ATOM 838 OXT ASP A 55 63.392 -14.465 63.446 1.00 0.00 O ATOM 0 H ASP A 55 63.791 -14.079 60.129 1.00 0.00 H new ATOM 0 HA ASP A 55 64.551 -12.476 62.501 1.00 0.00 H new ATOM 0 HB2 ASP A 55 63.470 -10.840 60.921 1.00 0.00 H new ATOM 0 HB3 ASP A 55 62.066 -11.883 60.816 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.711 -14.140 21.270 1.00 0.00 N ATOM 845 CA PHE B 1 92.922 -13.973 22.519 1.00 0.00 C ATOM 846 C PHE B 1 92.437 -15.339 23.001 1.00 0.00 C ATOM 847 O PHE B 1 92.858 -15.837 24.022 1.00 0.00 O ATOM 848 CB PHE B 1 91.704 -13.078 22.241 1.00 0.00 C ATOM 849 CG PHE B 1 92.140 -11.633 22.124 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.675 -11.154 20.918 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.002 -10.766 23.221 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.074 -9.815 20.811 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.401 -9.429 23.110 1.00 0.00 C ATOM 854 CZ PHE B 1 92.937 -8.953 21.907 1.00 0.00 C ATOM 0 H1 PHE B 1 93.782 -13.226 20.779 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.665 -14.481 21.505 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.239 -14.830 20.651 1.00 0.00 H new ATOM 0 HA PHE B 1 93.549 -13.514 23.283 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.213 -13.394 21.321 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.974 -13.183 23.044 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.779 -11.818 20.072 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.588 -11.131 24.149 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.487 -9.447 19.883 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.295 -8.763 23.954 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.245 -7.921 21.824 1.00 0.00 H new ATOM 866 N LEU B 2 91.535 -15.937 22.278 1.00 0.00 N ATOM 867 CA LEU B 2 90.990 -17.260 22.692 1.00 0.00 C ATOM 868 C LEU B 2 92.043 -18.359 22.529 1.00 0.00 C ATOM 869 O LEU B 2 92.085 -19.296 23.299 1.00 0.00 O ATOM 870 CB LEU B 2 89.767 -17.592 21.825 1.00 0.00 C ATOM 871 CG LEU B 2 88.796 -16.401 21.799 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.483 -16.829 21.134 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.520 -15.924 23.229 1.00 0.00 C ATOM 0 H LEU B 2 91.148 -15.564 21.411 1.00 0.00 H new ATOM 0 HA LEU B 2 90.705 -17.209 23.743 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.086 -17.833 20.811 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.262 -18.474 22.218 1.00 0.00 H new ATOM 0 HG LEU B 2 89.241 -15.584 21.231 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.793 -15.985 21.115 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.682 -17.158 20.114 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.039 -17.648 21.700 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.831 -15.080 23.204 1.00 0.00 H new ATOM 0 HD22 LEU B 2 88.077 -16.737 23.805 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.455 -15.616 23.697 1.00 0.00 H new ATOM 885 N ASP B 3 92.875 -18.277 21.534 1.00 0.00 N ATOM 886 CA ASP B 3 93.890 -19.351 21.338 1.00 0.00 C ATOM 887 C ASP B 3 94.876 -19.394 22.518 1.00 0.00 C ATOM 888 O ASP B 3 95.189 -20.451 23.041 1.00 0.00 O ATOM 889 CB ASP B 3 94.654 -19.088 20.040 1.00 0.00 C ATOM 890 CG ASP B 3 93.719 -19.284 18.843 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.752 -20.016 18.983 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.989 -18.698 17.805 1.00 0.00 O ATOM 0 H ASP B 3 92.899 -17.520 20.851 1.00 0.00 H new ATOM 0 HA ASP B 3 93.379 -20.312 21.283 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.053 -18.073 20.040 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.505 -19.765 19.964 1.00 0.00 H new ATOM 897 N GLY B 4 95.365 -18.262 22.946 1.00 0.00 N ATOM 898 CA GLY B 4 96.323 -18.256 24.090 1.00 0.00 C ATOM 899 C GLY B 4 95.569 -18.567 25.381 1.00 0.00 C ATOM 900 O GLY B 4 96.033 -19.306 26.227 1.00 0.00 O ATOM 0 H GLY B 4 95.145 -17.346 22.556 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.107 -18.995 23.926 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.811 -17.284 24.165 1.00 0.00 H new ATOM 904 N ILE B 5 94.405 -18.003 25.538 1.00 0.00 N ATOM 905 CA ILE B 5 93.613 -18.269 26.768 1.00 0.00 C ATOM 906 C ILE B 5 93.310 -19.764 26.876 1.00 0.00 C ATOM 907 O ILE B 5 93.336 -20.332 27.947 1.00 0.00 O ATOM 908 CB ILE B 5 92.305 -17.474 26.707 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.632 -15.976 26.836 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.387 -17.900 27.862 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.458 -15.123 26.336 1.00 0.00 C ATOM 0 H ILE B 5 93.969 -17.370 24.868 1.00 0.00 H new ATOM 0 HA ILE B 5 94.184 -17.961 27.644 1.00 0.00 H new ATOM 0 HB ILE B 5 91.799 -17.665 25.761 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.848 -15.733 27.877 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.529 -15.743 26.262 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.457 -17.333 27.816 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.167 -18.964 27.779 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.884 -17.706 28.812 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.708 -14.067 26.435 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.261 -15.353 25.289 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.570 -15.343 26.929 1.00 0.00 H new ATOM 923 N ASP B 6 93.006 -20.406 25.781 1.00 0.00 N ATOM 924 CA ASP B 6 92.683 -21.856 25.852 1.00 0.00 C ATOM 925 C ASP B 6 93.841 -22.590 26.510 1.00 0.00 C ATOM 926 O ASP B 6 93.651 -23.362 27.428 1.00 0.00 O ATOM 927 CB ASP B 6 92.461 -22.396 24.436 1.00 0.00 C ATOM 928 CG ASP B 6 91.909 -23.822 24.510 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.191 -24.493 25.491 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.209 -24.214 23.594 1.00 0.00 O ATOM 0 H ASP B 6 92.968 -19.993 24.849 1.00 0.00 H new ATOM 0 HA ASP B 6 91.777 -22.008 26.438 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.765 -21.754 23.896 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.399 -22.387 23.881 1.00 0.00 H new ATOM 935 N LYS B 7 95.042 -22.354 26.073 1.00 0.00 N ATOM 936 CA LYS B 7 96.183 -23.048 26.727 1.00 0.00 C ATOM 937 C LYS B 7 96.363 -22.505 28.147 1.00 0.00 C ATOM 938 O LYS B 7 96.626 -23.243 29.074 1.00 0.00 O ATOM 939 CB LYS B 7 97.471 -22.815 25.933 1.00 0.00 C ATOM 940 CG LYS B 7 97.410 -23.566 24.605 1.00 0.00 C ATOM 941 CD LYS B 7 98.737 -23.395 23.861 1.00 0.00 C ATOM 942 CE LYS B 7 98.629 -24.038 22.478 1.00 0.00 C ATOM 943 NZ LYS B 7 99.862 -23.750 21.688 1.00 0.00 N ATOM 0 H LYS B 7 95.282 -21.724 25.307 1.00 0.00 H new ATOM 0 HA LYS B 7 95.973 -24.117 26.761 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.608 -21.749 25.751 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.331 -23.153 26.512 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.213 -24.623 24.782 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.589 -23.186 23.998 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.979 -22.337 23.764 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.546 -23.857 24.427 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.493 -25.115 22.577 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.753 -23.653 21.955 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.783 -24.190 20.749 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.973 -22.722 21.581 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.690 -24.138 22.183 1.00 0.00 H new ATOM 957 N ALA B 8 96.222 -21.223 28.327 1.00 0.00 N ATOM 958 CA ALA B 8 96.385 -20.641 29.689 1.00 0.00 C ATOM 959 C ALA B 8 95.246 -21.113 30.593 1.00 0.00 C ATOM 960 O ALA B 8 95.436 -21.374 31.764 1.00 0.00 O ATOM 961 CB ALA B 8 96.391 -19.113 29.593 1.00 0.00 C ATOM 0 H ALA B 8 96.001 -20.552 27.591 1.00 0.00 H new ATOM 0 HA ALA B 8 97.331 -20.973 30.118 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.510 -18.686 30.589 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.217 -18.792 28.959 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.450 -18.772 29.162 1.00 0.00 H new ATOM 967 N GLN B 9 94.058 -21.212 30.064 1.00 0.00 N ATOM 968 CA GLN B 9 92.910 -21.656 30.903 1.00 0.00 C ATOM 969 C GLN B 9 93.226 -23.011 31.528 1.00 0.00 C ATOM 970 O GLN B 9 92.940 -23.250 32.684 1.00 0.00 O ATOM 971 CB GLN B 9 91.663 -21.787 30.028 1.00 0.00 C ATOM 972 CG GLN B 9 90.447 -22.019 30.923 1.00 0.00 C ATOM 973 CD GLN B 9 89.198 -22.172 30.059 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.228 -21.924 28.869 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.088 -22.582 30.610 1.00 0.00 N ATOM 0 H GLN B 9 93.833 -21.006 29.091 1.00 0.00 H new ATOM 0 HA GLN B 9 92.734 -20.923 31.690 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.525 -20.885 29.432 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.779 -22.615 29.329 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.594 -22.913 31.529 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.325 -21.183 31.612 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.061 -22.791 31.608 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.248 -22.694 30.042 1.00 0.00 H new ATOM 984 N GLU B 10 93.822 -23.898 30.776 1.00 0.00 N ATOM 985 CA GLU B 10 94.157 -25.236 31.340 1.00 0.00 C ATOM 986 C GLU B 10 95.131 -25.053 32.505 1.00 0.00 C ATOM 987 O GLU B 10 95.025 -25.702 33.522 1.00 0.00 O ATOM 988 CB GLU B 10 94.811 -26.092 30.251 1.00 0.00 C ATOM 989 CG GLU B 10 94.903 -27.553 30.706 1.00 0.00 C ATOM 990 CD GLU B 10 95.606 -28.376 29.622 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.973 -27.797 28.610 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.770 -29.570 29.820 1.00 0.00 O ATOM 0 H GLU B 10 94.089 -23.755 29.802 1.00 0.00 H new ATOM 0 HA GLU B 10 93.252 -25.731 31.693 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.231 -26.027 29.330 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.807 -25.710 30.028 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.454 -27.620 31.644 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.906 -27.952 30.892 1.00 0.00 H new ATOM 999 N GLU B 11 96.086 -24.173 32.364 1.00 0.00 N ATOM 1000 CA GLU B 11 97.055 -23.954 33.474 1.00 0.00 C ATOM 1001 C GLU B 11 96.285 -23.490 34.706 1.00 0.00 C ATOM 1002 O GLU B 11 96.562 -23.905 35.817 1.00 0.00 O ATOM 1003 CB GLU B 11 98.081 -22.891 33.057 1.00 0.00 C ATOM 1004 CG GLU B 11 99.300 -22.954 33.984 1.00 0.00 C ATOM 1005 CD GLU B 11 100.123 -24.205 33.670 1.00 0.00 C ATOM 1006 OE1 GLU B 11 99.722 -24.953 32.794 1.00 0.00 O ATOM 1007 OE2 GLU B 11 101.146 -24.388 34.309 1.00 0.00 O ATOM 0 H GLU B 11 96.236 -23.600 31.533 1.00 0.00 H new ATOM 0 HA GLU B 11 97.585 -24.879 33.701 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.389 -23.055 32.024 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.630 -21.900 33.101 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.913 -22.062 33.855 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.977 -22.971 35.025 1.00 0.00 H new ATOM 1014 N HIS B 12 95.303 -22.646 34.514 1.00 0.00 N ATOM 1015 CA HIS B 12 94.502 -22.162 35.673 1.00 0.00 C ATOM 1016 C HIS B 12 93.825 -23.350 36.357 1.00 0.00 C ATOM 1017 O HIS B 12 93.843 -23.479 37.559 1.00 0.00 O ATOM 1018 CB HIS B 12 93.412 -21.189 35.215 1.00 0.00 C ATOM 1019 CG HIS B 12 92.756 -20.645 36.449 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.008 -19.351 36.920 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.947 -21.239 37.387 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.371 -19.221 38.106 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.726 -20.341 38.407 1.00 0.00 N ATOM 0 H HIS B 12 95.024 -22.273 33.606 1.00 0.00 H new ATOM 0 HA HIS B 12 95.176 -21.652 36.361 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.841 -20.383 34.620 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.683 -21.697 34.584 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.569 -18.637 36.454 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.551 -22.242 37.333 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.385 -18.333 38.720 1.00 0.00 H new ATOM 1031 N GLU B 13 93.206 -24.200 35.595 1.00 0.00 N ATOM 1032 CA GLU B 13 92.503 -25.367 36.193 1.00 0.00 C ATOM 1033 C GLU B 13 93.486 -26.254 36.968 1.00 0.00 C ATOM 1034 O GLU B 13 93.193 -26.725 38.046 1.00 0.00 O ATOM 1035 CB GLU B 13 91.856 -26.183 35.069 1.00 0.00 C ATOM 1036 CG GLU B 13 90.954 -27.258 35.677 1.00 0.00 C ATOM 1037 CD GLU B 13 90.348 -28.115 34.563 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.465 -27.729 33.414 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.781 -29.150 34.881 1.00 0.00 O ATOM 0 H GLU B 13 93.155 -24.139 34.578 1.00 0.00 H new ATOM 0 HA GLU B 13 91.743 -25.008 36.887 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.274 -25.530 34.419 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.626 -26.645 34.451 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.528 -27.885 36.359 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.161 -26.792 36.263 1.00 0.00 H new ATOM 1046 N LYS B 14 94.635 -26.508 36.411 1.00 0.00 N ATOM 1047 CA LYS B 14 95.628 -27.391 37.091 1.00 0.00 C ATOM 1048 C LYS B 14 96.071 -26.845 38.455 1.00 0.00 C ATOM 1049 O LYS B 14 96.410 -27.610 39.336 1.00 0.00 O ATOM 1050 CB LYS B 14 96.858 -27.548 36.195 1.00 0.00 C ATOM 1051 CG LYS B 14 96.467 -28.313 34.930 1.00 0.00 C ATOM 1052 CD LYS B 14 97.626 -28.312 33.921 1.00 0.00 C ATOM 1053 CE LYS B 14 98.662 -29.377 34.302 1.00 0.00 C ATOM 1054 NZ LYS B 14 97.996 -30.707 34.402 1.00 0.00 N ATOM 0 H LYS B 14 94.934 -26.141 35.508 1.00 0.00 H new ATOM 0 HA LYS B 14 95.142 -28.351 37.264 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.258 -26.569 35.933 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.645 -28.082 36.728 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.201 -29.339 35.186 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.585 -27.857 34.480 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.245 -28.507 32.919 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.096 -27.329 33.897 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.455 -29.411 33.555 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.130 -29.121 35.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.670 -31.454 34.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 97.674 -30.861 35.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.179 -30.735 33.759 1.00 0.00 H new ATOM 1068 N TYR B 15 96.138 -25.541 38.633 1.00 0.00 N ATOM 1069 CA TYR B 15 96.644 -25.000 39.943 1.00 0.00 C ATOM 1070 C TYR B 15 95.848 -23.778 40.433 1.00 0.00 C ATOM 1071 O TYR B 15 96.142 -23.241 41.485 1.00 0.00 O ATOM 1072 CB TYR B 15 98.101 -24.578 39.737 1.00 0.00 C ATOM 1073 CG TYR B 15 98.841 -25.628 38.932 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.424 -26.718 39.585 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.962 -25.502 37.536 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.125 -27.683 38.850 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.668 -26.466 36.802 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.248 -27.557 37.461 1.00 0.00 C ATOM 1079 OH TYR B 15 100.946 -28.507 36.746 1.00 0.00 O ATOM 0 H TYR B 15 95.870 -24.840 37.942 1.00 0.00 H new ATOM 0 HA TYR B 15 96.536 -25.780 40.697 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.140 -23.619 39.220 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.587 -24.440 40.703 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.334 -26.816 40.657 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.511 -24.662 37.029 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.572 -28.526 39.356 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.764 -26.367 35.731 1.00 0.00 H new ATOM 0 HH TYR B 15 100.875 -29.374 37.197 1.00 0.00 H new ATOM 1089 N HIS B 16 94.894 -23.291 39.688 1.00 0.00 N ATOM 1090 CA HIS B 16 94.157 -22.067 40.137 1.00 0.00 C ATOM 1091 C HIS B 16 95.210 -20.991 40.414 1.00 0.00 C ATOM 1092 O HIS B 16 95.187 -20.328 41.433 1.00 0.00 O ATOM 1093 CB HIS B 16 93.343 -22.323 41.427 1.00 0.00 C ATOM 1094 CG HIS B 16 92.094 -23.134 41.154 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.927 -22.599 40.625 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.788 -24.463 41.385 1.00 0.00 C ATOM 1097 CE1 HIS B 16 89.993 -23.552 40.546 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.465 -24.715 41.001 1.00 0.00 N ATOM 0 H HIS B 16 94.592 -23.681 38.795 1.00 0.00 H new ATOM 0 HA HIS B 16 93.451 -21.765 39.364 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.966 -22.848 42.151 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.066 -21.370 41.877 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.466 -25.195 41.799 1.00 0.00 H new ATOM 0 HE1 HIS B 16 88.993 -23.402 40.166 1.00 0.00 H new ATOM 0 HE2 HIS B 16 89.966 -25.603 41.057 1.00 0.00 H new ATOM 1106 N SER B 17 96.152 -20.842 39.524 1.00 0.00 N ATOM 1107 CA SER B 17 97.232 -19.842 39.741 1.00 0.00 C ATOM 1108 C SER B 17 96.670 -18.424 39.632 1.00 0.00 C ATOM 1109 O SER B 17 95.684 -18.182 38.964 1.00 0.00 O ATOM 1110 CB SER B 17 98.322 -20.037 38.689 1.00 0.00 C ATOM 1111 OG SER B 17 97.778 -19.774 37.403 1.00 0.00 O ATOM 0 H SER B 17 96.219 -21.371 38.655 1.00 0.00 H new ATOM 0 HA SER B 17 97.650 -19.982 40.738 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.160 -19.368 38.887 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.709 -21.055 38.733 1.00 0.00 H new ATOM 0 HG SER B 17 98.496 -19.786 36.736 1.00 0.00 H new ATOM 1117 N ASN B 18 97.302 -17.479 40.277 1.00 0.00 N ATOM 1118 CA ASN B 18 96.811 -16.077 40.202 1.00 0.00 C ATOM 1119 C ASN B 18 97.072 -15.534 38.799 1.00 0.00 C ATOM 1120 O ASN B 18 97.906 -16.038 38.074 1.00 0.00 O ATOM 1121 CB ASN B 18 97.540 -15.215 41.238 1.00 0.00 C ATOM 1122 CG ASN B 18 97.253 -15.756 42.639 1.00 0.00 C ATOM 1123 OD1 ASN B 18 98.153 -16.197 43.330 1.00 0.00 O ATOM 1124 ND2 ASN B 18 96.029 -15.738 43.096 1.00 0.00 N ATOM 0 H ASN B 18 98.134 -17.619 40.850 1.00 0.00 H new ATOM 0 HA ASN B 18 95.742 -16.050 40.412 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.613 -15.224 41.045 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.211 -14.179 41.162 1.00 0.00 H new ATOM 0 HD21 ASN B 18 95.828 -16.093 44.031 1.00 0.00 H new ATOM 0 HD22 ASN B 18 95.274 -15.369 42.518 1.00 0.00 H new ATOM 1131 N TRP B 19 96.357 -14.521 38.406 1.00 0.00 N ATOM 1132 CA TRP B 19 96.551 -13.954 37.046 1.00 0.00 C ATOM 1133 C TRP B 19 98.005 -13.519 36.849 1.00 0.00 C ATOM 1134 O TRP B 19 98.534 -13.571 35.754 1.00 0.00 O ATOM 1135 CB TRP B 19 95.611 -12.764 36.856 1.00 0.00 C ATOM 1136 CG TRP B 19 96.016 -11.628 37.733 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.518 -11.372 38.964 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.979 -10.579 37.456 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.105 -10.218 39.451 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.021 -9.697 38.560 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.815 -10.318 36.361 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.861 -8.580 38.569 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.662 -9.200 36.366 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.687 -8.334 37.467 1.00 0.00 C ATOM 0 H TRP B 19 95.644 -14.059 38.970 1.00 0.00 H new ATOM 0 HA TRP B 19 96.322 -14.718 36.303 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.623 -12.447 35.813 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.588 -13.062 37.087 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.783 -11.970 39.482 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.888 -9.803 40.357 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.807 -10.982 35.509 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.872 -7.913 39.418 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.299 -9.006 35.516 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.344 -7.477 37.465 1.00 0.00 H new ATOM 1155 N ARG B 20 98.656 -13.092 37.891 1.00 0.00 N ATOM 1156 CA ARG B 20 100.074 -12.652 37.749 1.00 0.00 C ATOM 1157 C ARG B 20 100.929 -13.814 37.245 1.00 0.00 C ATOM 1158 O ARG B 20 101.817 -13.636 36.437 1.00 0.00 O ATOM 1159 CB ARG B 20 100.609 -12.177 39.106 1.00 0.00 C ATOM 1160 CG ARG B 20 99.808 -10.969 39.591 1.00 0.00 C ATOM 1161 CD ARG B 20 100.392 -10.484 40.920 1.00 0.00 C ATOM 1162 NE ARG B 20 100.355 -11.595 41.914 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.080 -11.527 43.000 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.868 -10.509 43.196 1.00 0.00 N ATOM 1165 NH2 ARG B 20 101.028 -12.487 43.884 1.00 0.00 N ATOM 0 H ARG B 20 98.272 -13.028 38.834 1.00 0.00 H new ATOM 0 HA ARG B 20 100.121 -11.831 37.033 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.542 -12.984 39.835 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.663 -11.913 39.018 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.845 -10.171 38.850 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.759 -11.239 39.717 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.418 -10.144 40.776 1.00 0.00 H new ATOM 0 HD3 ARG B 20 99.823 -9.631 41.290 1.00 0.00 H new ATOM 0 HE ARG B 20 99.763 -12.409 41.747 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.920 -9.763 42.502 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.433 -10.457 44.044 1.00 0.00 H new ATOM 0 HH21 ARG B 20 100.421 -13.292 43.728 1.00 0.00 H new ATOM 0 HH22 ARG B 20 101.594 -12.432 44.731 1.00 0.00 H new ATOM 1179 N ALA B 21 100.675 -15.002 37.720 1.00 0.00 N ATOM 1180 CA ALA B 21 101.481 -16.176 37.274 1.00 0.00 C ATOM 1181 C ALA B 21 101.159 -16.505 35.811 1.00 0.00 C ATOM 1182 O ALA B 21 102.041 -16.659 34.986 1.00 0.00 O ATOM 1183 CB ALA B 21 101.138 -17.371 38.167 1.00 0.00 C ATOM 0 H ALA B 21 99.943 -15.212 38.399 1.00 0.00 H new ATOM 0 HA ALA B 21 102.544 -15.949 37.352 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.719 -18.238 37.854 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.375 -17.131 39.203 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.075 -17.596 38.081 1.00 0.00 H new ATOM 1189 N MET B 22 99.904 -16.620 35.484 1.00 0.00 N ATOM 1190 CA MET B 22 99.520 -16.934 34.078 1.00 0.00 C ATOM 1191 C MET B 22 100.037 -15.845 33.158 1.00 0.00 C ATOM 1192 O MET B 22 100.492 -16.099 32.060 1.00 0.00 O ATOM 1193 CB MET B 22 98.002 -17.003 33.971 1.00 0.00 C ATOM 1194 CG MET B 22 97.489 -18.225 34.728 1.00 0.00 C ATOM 1195 SD MET B 22 95.725 -18.443 34.394 1.00 0.00 S ATOM 1196 CE MET B 22 95.140 -16.996 35.311 1.00 0.00 C ATOM 0 H MET B 22 99.123 -16.510 36.131 1.00 0.00 H new ATOM 0 HA MET B 22 99.952 -17.892 33.789 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.557 -16.096 34.381 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.704 -17.060 32.924 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.041 -19.114 34.422 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.655 -18.100 35.798 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.059 -17.057 35.436 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.617 -16.969 36.291 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.391 -16.090 34.760 1.00 0.00 H new ATOM 1206 N ALA B 23 99.962 -14.618 33.591 1.00 0.00 N ATOM 1207 CA ALA B 23 100.449 -13.514 32.729 1.00 0.00 C ATOM 1208 C ALA B 23 101.914 -13.749 32.385 1.00 0.00 C ATOM 1209 O ALA B 23 102.326 -13.625 31.250 1.00 0.00 O ATOM 1210 CB ALA B 23 100.307 -12.185 33.471 1.00 0.00 C ATOM 0 H ALA B 23 99.587 -14.336 34.497 1.00 0.00 H new ATOM 0 HA ALA B 23 99.860 -13.482 31.813 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.665 -11.374 32.837 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.259 -12.016 33.718 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.896 -12.216 34.388 1.00 0.00 H new ATOM 1216 N SER B 24 102.710 -14.084 33.359 1.00 0.00 N ATOM 1217 CA SER B 24 104.149 -14.324 33.077 1.00 0.00 C ATOM 1218 C SER B 24 104.317 -15.608 32.261 1.00 0.00 C ATOM 1219 O SER B 24 105.174 -15.699 31.405 1.00 0.00 O ATOM 1220 CB SER B 24 104.916 -14.437 34.391 1.00 0.00 C ATOM 1221 OG SER B 24 106.306 -14.527 34.119 1.00 0.00 O ATOM 0 H SER B 24 102.428 -14.201 34.332 1.00 0.00 H new ATOM 0 HA SER B 24 104.545 -13.488 32.501 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.713 -13.570 35.019 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.585 -15.316 34.944 1.00 0.00 H new ATOM 0 HG SER B 24 106.800 -14.598 34.962 1.00 0.00 H new ATOM 1227 N ASP B 25 103.516 -16.604 32.522 1.00 0.00 N ATOM 1228 CA ASP B 25 103.652 -17.888 31.769 1.00 0.00 C ATOM 1229 C ASP B 25 103.447 -17.648 30.264 1.00 0.00 C ATOM 1230 O ASP B 25 104.134 -18.222 29.441 1.00 0.00 O ATOM 1231 CB ASP B 25 102.596 -18.881 32.261 1.00 0.00 C ATOM 1232 CG ASP B 25 102.919 -19.329 33.693 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.049 -19.152 34.117 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.024 -19.844 34.341 1.00 0.00 O ATOM 0 H ASP B 25 102.774 -16.587 33.222 1.00 0.00 H new ATOM 0 HA ASP B 25 104.652 -18.289 31.937 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.609 -18.419 32.230 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.564 -19.747 31.599 1.00 0.00 H new ATOM 1239 N PHE B 26 102.500 -16.813 29.900 1.00 0.00 N ATOM 1240 CA PHE B 26 102.227 -16.537 28.446 1.00 0.00 C ATOM 1241 C PHE B 26 102.586 -15.085 28.099 1.00 0.00 C ATOM 1242 O PHE B 26 102.431 -14.663 26.972 1.00 0.00 O ATOM 1243 CB PHE B 26 100.743 -16.771 28.167 1.00 0.00 C ATOM 1244 CG PHE B 26 100.413 -18.211 28.462 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.049 -18.596 29.758 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.478 -19.162 27.440 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.751 -19.936 30.028 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.180 -20.501 27.710 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.817 -20.888 29.004 1.00 0.00 C ATOM 0 H PHE B 26 101.899 -16.306 30.550 1.00 0.00 H new ATOM 0 HA PHE B 26 102.836 -17.204 27.835 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.134 -16.111 28.785 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.513 -16.537 27.128 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.998 -17.860 30.547 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.759 -18.862 26.441 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.470 -20.236 31.027 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.230 -21.236 26.920 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.587 -21.922 29.213 1.00 0.00 H new ATOM 1259 N ASN B 27 103.055 -14.326 29.051 1.00 0.00 N ATOM 1260 CA ASN B 27 103.428 -12.903 28.776 1.00 0.00 C ATOM 1261 C ASN B 27 102.230 -12.142 28.203 1.00 0.00 C ATOM 1262 O ASN B 27 102.347 -11.420 27.232 1.00 0.00 O ATOM 1263 CB ASN B 27 104.592 -12.844 27.781 1.00 0.00 C ATOM 1264 CG ASN B 27 105.809 -13.559 28.375 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.943 -13.649 29.580 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.706 -14.075 27.578 1.00 0.00 N ATOM 0 H ASN B 27 103.198 -14.629 30.014 1.00 0.00 H new ATOM 0 HA ASN B 27 103.732 -12.439 29.714 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.304 -13.314 26.840 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.840 -11.807 27.557 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.519 -14.553 27.967 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.594 -14.000 26.567 1.00 0.00 H new ATOM 1273 N LEU B 28 101.078 -12.290 28.804 1.00 0.00 N ATOM 1274 CA LEU B 28 99.859 -11.571 28.319 1.00 0.00 C ATOM 1275 C LEU B 28 99.500 -10.494 29.348 1.00 0.00 C ATOM 1276 O LEU B 28 99.784 -10.647 30.520 1.00 0.00 O ATOM 1277 CB LEU B 28 98.700 -12.570 28.215 1.00 0.00 C ATOM 1278 CG LEU B 28 98.975 -13.597 27.101 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.009 -14.778 27.252 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.778 -12.955 25.713 1.00 0.00 C ATOM 0 H LEU B 28 100.927 -12.884 29.619 1.00 0.00 H new ATOM 0 HA LEU B 28 100.043 -11.120 27.344 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.568 -13.084 29.167 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.771 -12.039 28.007 1.00 0.00 H new ATOM 0 HG LEU B 28 100.006 -13.941 27.187 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.200 -15.508 26.465 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.157 -15.247 28.225 1.00 0.00 H new ATOM 0 HD13 LEU B 28 96.982 -14.421 27.173 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.977 -13.695 24.938 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.752 -12.598 25.619 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.466 -12.117 25.599 1.00 0.00 H new ATOM 1292 N PRO B 29 98.887 -9.413 28.937 1.00 0.00 N ATOM 1293 CA PRO B 29 98.503 -8.332 29.883 1.00 0.00 C ATOM 1294 C PRO B 29 97.518 -8.848 30.952 1.00 0.00 C ATOM 1295 O PRO B 29 96.762 -9.769 30.708 1.00 0.00 O ATOM 1296 CB PRO B 29 97.845 -7.260 28.993 1.00 0.00 C ATOM 1297 CG PRO B 29 97.483 -7.965 27.723 1.00 0.00 C ATOM 1298 CD PRO B 29 98.505 -9.088 27.553 1.00 0.00 C ATOM 0 HA PRO B 29 99.359 -7.944 30.435 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.962 -6.838 29.474 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.530 -6.434 28.802 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.470 -8.365 27.775 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.512 -7.280 26.876 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.075 -9.949 27.042 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.364 -8.764 26.964 1.00 0.00 H new ATOM 1306 N PRO B 30 97.531 -8.264 32.126 1.00 0.00 N ATOM 1307 CA PRO B 30 96.630 -8.683 33.237 1.00 0.00 C ATOM 1308 C PRO B 30 95.191 -8.923 32.773 1.00 0.00 C ATOM 1309 O PRO B 30 94.505 -9.800 33.256 1.00 0.00 O ATOM 1310 CB PRO B 30 96.674 -7.506 34.235 1.00 0.00 C ATOM 1311 CG PRO B 30 97.892 -6.688 33.892 1.00 0.00 C ATOM 1312 CD PRO B 30 98.406 -7.145 32.515 1.00 0.00 C ATOM 0 HA PRO B 30 96.958 -9.630 33.666 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.770 -6.902 34.160 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.730 -7.871 35.261 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.644 -5.627 33.872 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.665 -6.821 34.649 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.356 -6.335 31.788 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.448 -7.461 32.569 1.00 0.00 H new ATOM 1320 N VAL B 31 94.718 -8.122 31.872 1.00 0.00 N ATOM 1321 CA VAL B 31 93.311 -8.276 31.421 1.00 0.00 C ATOM 1322 C VAL B 31 93.057 -9.697 30.947 1.00 0.00 C ATOM 1323 O VAL B 31 92.093 -10.324 31.334 1.00 0.00 O ATOM 1324 CB VAL B 31 93.042 -7.309 30.264 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.572 -7.400 29.812 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.353 -5.882 30.722 1.00 0.00 C ATOM 0 H VAL B 31 95.240 -7.368 31.427 1.00 0.00 H new ATOM 0 HA VAL B 31 92.648 -8.056 32.258 1.00 0.00 H new ATOM 0 HB VAL B 31 93.679 -7.577 29.421 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.401 -6.706 28.989 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.355 -8.416 29.481 1.00 0.00 H new ATOM 0 HG13 VAL B 31 90.918 -7.143 30.646 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.164 -5.188 29.903 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.718 -5.625 31.570 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.399 -5.815 31.020 1.00 0.00 H new ATOM 1336 N VAL B 32 93.891 -10.212 30.100 1.00 0.00 N ATOM 1337 CA VAL B 32 93.640 -11.588 29.610 1.00 0.00 C ATOM 1338 C VAL B 32 93.764 -12.576 30.771 1.00 0.00 C ATOM 1339 O VAL B 32 92.922 -13.429 30.968 1.00 0.00 O ATOM 1340 CB VAL B 32 94.645 -11.936 28.516 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.387 -13.358 28.011 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.483 -10.950 27.357 1.00 0.00 C ATOM 0 H VAL B 32 94.722 -9.751 29.730 1.00 0.00 H new ATOM 0 HA VAL B 32 92.633 -11.648 29.197 1.00 0.00 H new ATOM 0 HB VAL B 32 95.657 -11.875 28.917 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.107 -13.603 27.230 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.494 -14.062 28.836 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.377 -13.423 27.607 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.198 -11.192 26.571 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.470 -11.018 26.960 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.665 -9.936 27.714 1.00 0.00 H new ATOM 1352 N ALA B 33 94.808 -12.461 31.541 1.00 0.00 N ATOM 1353 CA ALA B 33 94.998 -13.387 32.694 1.00 0.00 C ATOM 1354 C ALA B 33 93.909 -13.147 33.739 1.00 0.00 C ATOM 1355 O ALA B 33 93.332 -14.073 34.273 1.00 0.00 O ATOM 1356 CB ALA B 33 96.371 -13.129 33.320 1.00 0.00 C ATOM 0 H ALA B 33 95.542 -11.763 31.422 1.00 0.00 H new ATOM 0 HA ALA B 33 94.936 -14.418 32.346 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.518 -13.802 34.164 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.149 -13.304 32.576 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.425 -12.097 33.665 1.00 0.00 H new ATOM 1362 N LYS B 34 93.625 -11.908 34.038 1.00 0.00 N ATOM 1363 CA LYS B 34 92.576 -11.614 35.046 1.00 0.00 C ATOM 1364 C LYS B 34 91.218 -12.146 34.582 1.00 0.00 C ATOM 1365 O LYS B 34 90.431 -12.614 35.376 1.00 0.00 O ATOM 1366 CB LYS B 34 92.493 -10.105 35.287 1.00 0.00 C ATOM 1367 CG LYS B 34 93.743 -9.636 36.045 1.00 0.00 C ATOM 1368 CD LYS B 34 93.789 -8.104 36.094 1.00 0.00 C ATOM 1369 CE LYS B 34 92.700 -7.577 37.029 1.00 0.00 C ATOM 1370 NZ LYS B 34 92.976 -6.149 37.342 1.00 0.00 N ATOM 0 H LYS B 34 94.075 -11.090 33.627 1.00 0.00 H new ATOM 0 HA LYS B 34 92.841 -12.112 35.979 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.413 -9.578 34.336 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.597 -9.867 35.860 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.736 -10.039 37.058 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.639 -10.019 35.556 1.00 0.00 H new ATOM 0 HD2 LYS B 34 94.768 -7.772 36.440 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.649 -7.696 35.093 1.00 0.00 H new ATOM 0 HE2 LYS B 34 91.721 -7.677 36.560 1.00 0.00 H new ATOM 0 HE3 LYS B 34 92.675 -8.165 37.946 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 92.238 -5.784 37.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.904 -6.068 37.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.979 -5.595 36.462 1.00 0.00 H new ATOM 1384 N GLU B 35 90.921 -12.070 33.311 1.00 0.00 N ATOM 1385 CA GLU B 35 89.595 -12.570 32.840 1.00 0.00 C ATOM 1386 C GLU B 35 89.455 -14.054 33.172 1.00 0.00 C ATOM 1387 O GLU B 35 88.407 -14.503 33.590 1.00 0.00 O ATOM 1388 CB GLU B 35 89.456 -12.351 31.332 1.00 0.00 C ATOM 1389 CG GLU B 35 88.012 -12.640 30.888 1.00 0.00 C ATOM 1390 CD GLU B 35 87.796 -14.150 30.727 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.757 -14.849 30.452 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.662 -14.580 30.875 1.00 0.00 O ATOM 0 H GLU B 35 91.530 -11.689 32.587 1.00 0.00 H new ATOM 0 HA GLU B 35 88.805 -12.017 33.347 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.724 -11.325 31.079 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.147 -13.002 30.797 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.312 -12.242 31.623 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.806 -12.134 29.945 1.00 0.00 H new ATOM 1399 N ILE B 36 90.498 -14.824 33.019 1.00 0.00 N ATOM 1400 CA ILE B 36 90.384 -16.269 33.359 1.00 0.00 C ATOM 1401 C ILE B 36 90.003 -16.383 34.836 1.00 0.00 C ATOM 1402 O ILE B 36 89.178 -17.184 35.215 1.00 0.00 O ATOM 1403 CB ILE B 36 91.734 -16.950 33.097 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.070 -16.810 31.611 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.673 -18.434 33.473 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.483 -17.331 31.348 1.00 0.00 C ATOM 0 H ILE B 36 91.410 -14.521 32.679 1.00 0.00 H new ATOM 0 HA ILE B 36 89.623 -16.756 32.749 1.00 0.00 H new ATOM 0 HB ILE B 36 92.502 -16.474 33.706 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.350 -17.367 31.012 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.996 -15.765 31.309 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.640 -18.898 33.280 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.429 -18.532 34.531 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.907 -18.929 32.876 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.717 -17.229 30.288 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.198 -16.755 31.935 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.542 -18.381 31.633 1.00 0.00 H new ATOM 1418 N VAL B 37 90.581 -15.558 35.662 1.00 0.00 N ATOM 1419 CA VAL B 37 90.240 -15.584 37.115 1.00 0.00 C ATOM 1420 C VAL B 37 88.788 -15.156 37.285 1.00 0.00 C ATOM 1421 O VAL B 37 88.057 -15.680 38.102 1.00 0.00 O ATOM 1422 CB VAL B 37 91.156 -14.611 37.861 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.743 -14.529 39.336 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.601 -15.106 37.758 1.00 0.00 C ATOM 0 H VAL B 37 91.278 -14.863 35.394 1.00 0.00 H new ATOM 0 HA VAL B 37 90.376 -16.588 37.517 1.00 0.00 H new ATOM 0 HB VAL B 37 91.073 -13.620 37.416 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.400 -13.835 39.860 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.713 -14.178 39.407 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.822 -15.516 39.791 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.260 -14.418 38.287 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.679 -16.098 38.204 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.895 -15.156 36.710 1.00 0.00 H new ATOM 1434 N ALA B 38 88.370 -14.197 36.514 1.00 0.00 N ATOM 1435 CA ALA B 38 86.970 -13.711 36.612 1.00 0.00 C ATOM 1436 C ALA B 38 86.001 -14.860 36.340 1.00 0.00 C ATOM 1437 O ALA B 38 84.963 -14.963 36.958 1.00 0.00 O ATOM 1438 CB ALA B 38 86.756 -12.620 35.571 1.00 0.00 C ATOM 0 H ALA B 38 88.943 -13.725 35.814 1.00 0.00 H new ATOM 0 HA ALA B 38 86.789 -13.319 37.613 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.731 -12.254 35.633 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.446 -11.798 35.759 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.937 -13.026 34.576 1.00 0.00 H new ATOM 1444 N SER B 39 86.319 -15.719 35.413 1.00 0.00 N ATOM 1445 CA SER B 39 85.393 -16.848 35.109 1.00 0.00 C ATOM 1446 C SER B 39 85.512 -17.913 36.197 1.00 0.00 C ATOM 1447 O SER B 39 84.609 -18.698 36.408 1.00 0.00 O ATOM 1448 CB SER B 39 85.751 -17.466 33.756 1.00 0.00 C ATOM 1449 OG SER B 39 85.737 -16.459 32.753 1.00 0.00 O ATOM 0 H SER B 39 87.173 -15.690 34.856 1.00 0.00 H new ATOM 0 HA SER B 39 84.371 -16.471 35.074 1.00 0.00 H new ATOM 0 HB2 SER B 39 86.736 -17.930 33.806 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.040 -18.253 33.505 1.00 0.00 H new ATOM 0 HG SER B 39 86.656 -16.189 32.548 1.00 0.00 H new ATOM 1455 N CYS B 40 86.618 -17.953 36.892 1.00 0.00 N ATOM 1456 CA CYS B 40 86.774 -18.973 37.970 1.00 0.00 C ATOM 1457 C CYS B 40 86.048 -18.490 39.221 1.00 0.00 C ATOM 1458 O CYS B 40 86.550 -17.676 39.975 1.00 0.00 O ATOM 1459 CB CYS B 40 88.255 -19.175 38.288 1.00 0.00 C ATOM 1460 SG CYS B 40 88.410 -20.416 39.587 1.00 0.00 S ATOM 0 H CYS B 40 87.414 -17.329 36.762 1.00 0.00 H new ATOM 0 HA CYS B 40 86.350 -19.920 37.636 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.792 -19.495 37.395 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.703 -18.235 38.610 1.00 0.00 H new ATOM 1465 N ASP B 41 84.865 -18.986 39.442 1.00 0.00 N ATOM 1466 CA ASP B 41 84.082 -18.573 40.638 1.00 0.00 C ATOM 1467 C ASP B 41 84.832 -18.950 41.911 1.00 0.00 C ATOM 1468 O ASP B 41 84.697 -18.318 42.933 1.00 0.00 O ATOM 1469 CB ASP B 41 82.730 -19.290 40.630 1.00 0.00 C ATOM 1470 CG ASP B 41 81.877 -18.747 39.485 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.218 -17.694 38.965 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.903 -19.390 39.139 1.00 0.00 O ATOM 0 H ASP B 41 84.402 -19.667 38.839 1.00 0.00 H new ATOM 0 HA ASP B 41 83.936 -17.493 40.610 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.876 -20.364 40.513 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.220 -19.140 41.582 1.00 0.00 H new ATOM 1477 N LYS B 42 85.603 -19.998 41.867 1.00 0.00 N ATOM 1478 CA LYS B 42 86.331 -20.430 43.094 1.00 0.00 C ATOM 1479 C LYS B 42 87.404 -19.410 43.467 1.00 0.00 C ATOM 1480 O LYS B 42 87.630 -19.141 44.631 1.00 0.00 O ATOM 1481 CB LYS B 42 86.988 -21.795 42.852 1.00 0.00 C ATOM 1482 CG LYS B 42 85.910 -22.839 42.559 1.00 0.00 C ATOM 1483 CD LYS B 42 86.539 -24.232 42.495 1.00 0.00 C ATOM 1484 CE LYS B 42 85.451 -25.266 42.202 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.653 -25.497 43.438 1.00 0.00 N ATOM 0 H LYS B 42 85.761 -20.573 41.040 1.00 0.00 H new ATOM 0 HA LYS B 42 85.616 -20.506 43.913 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.684 -21.732 42.015 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.567 -22.091 43.727 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.144 -22.811 43.334 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.416 -22.610 41.615 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.304 -24.263 41.719 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.033 -24.464 43.439 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.805 -24.914 41.398 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.901 -26.200 41.865 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.050 -26.335 43.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.295 -25.651 44.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.056 -24.667 43.626 1.00 0.00 H new ATOM 1499 N CYS B 43 88.073 -18.841 42.507 1.00 0.00 N ATOM 1500 CA CYS B 43 89.132 -17.845 42.842 1.00 0.00 C ATOM 1501 C CYS B 43 88.515 -16.464 43.049 1.00 0.00 C ATOM 1502 O CYS B 43 88.737 -15.821 44.056 1.00 0.00 O ATOM 1503 CB CYS B 43 90.151 -17.789 41.700 1.00 0.00 C ATOM 1504 SG CYS B 43 91.237 -19.248 41.757 1.00 0.00 S ATOM 0 H CYS B 43 87.936 -19.018 41.512 1.00 0.00 H new ATOM 0 HA CYS B 43 89.628 -18.147 43.764 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.633 -17.749 40.742 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.747 -16.880 41.778 1.00 0.00 H new ATOM 1509 N GLN B 44 87.762 -15.984 42.104 1.00 0.00 N ATOM 1510 CA GLN B 44 87.164 -14.633 42.265 1.00 0.00 C ATOM 1511 C GLN B 44 86.089 -14.672 43.344 1.00 0.00 C ATOM 1512 O GLN B 44 86.178 -13.991 44.343 1.00 0.00 O ATOM 1513 CB GLN B 44 86.533 -14.175 40.947 1.00 0.00 C ATOM 1514 CG GLN B 44 86.250 -12.671 41.013 1.00 0.00 C ATOM 1515 CD GLN B 44 85.618 -12.218 39.698 1.00 0.00 C ATOM 1516 OE1 GLN B 44 84.563 -12.697 39.323 1.00 0.00 O ATOM 1517 NE2 GLN B 44 86.218 -11.310 38.975 1.00 0.00 N ATOM 0 H GLN B 44 87.535 -16.464 41.233 1.00 0.00 H new ATOM 0 HA GLN B 44 87.950 -13.934 42.552 1.00 0.00 H new ATOM 0 HB2 GLN B 44 87.203 -14.394 40.115 1.00 0.00 H new ATOM 0 HB3 GLN B 44 85.608 -14.722 40.764 1.00 0.00 H new ATOM 0 HG2 GLN B 44 85.582 -12.451 41.846 1.00 0.00 H new ATOM 0 HG3 GLN B 44 87.175 -12.123 41.193 1.00 0.00 H new ATOM 0 HE21 GLN B 44 87.102 -10.909 39.290 1.00 0.00 H new ATOM 0 HE22 GLN B 44 85.803 -11.002 38.096 1.00 0.00 H new ATOM 1526 N LEU B 45 85.073 -15.473 43.160 1.00 0.00 N ATOM 1527 CA LEU B 45 84.001 -15.543 44.196 1.00 0.00 C ATOM 1528 C LEU B 45 84.429 -16.500 45.308 1.00 0.00 C ATOM 1529 O LEU B 45 84.365 -17.704 45.170 1.00 0.00 O ATOM 1530 CB LEU B 45 82.695 -16.047 43.580 1.00 0.00 C ATOM 1531 CG LEU B 45 82.401 -15.294 42.284 1.00 0.00 C ATOM 1532 CD1 LEU B 45 81.087 -15.816 41.695 1.00 0.00 C ATOM 1533 CD2 LEU B 45 82.277 -13.794 42.577 1.00 0.00 C ATOM 0 H LEU B 45 84.939 -16.075 42.348 1.00 0.00 H new ATOM 0 HA LEU B 45 83.842 -14.544 44.602 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.767 -17.116 43.380 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.875 -15.909 44.284 1.00 0.00 H new ATOM 0 HG LEU B 45 83.212 -15.451 41.572 1.00 0.00 H new ATOM 0 HD11 LEU B 45 80.867 -15.285 40.769 1.00 0.00 H new ATOM 0 HD12 LEU B 45 81.179 -16.882 41.489 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.279 -15.653 42.408 1.00 0.00 H new ATOM 0 HD21 LEU B 45 82.067 -13.259 41.651 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.465 -13.627 43.285 1.00 0.00 H new ATOM 0 HD23 LEU B 45 83.211 -13.428 43.004 1.00 0.00 H new ATOM 1545 N LYS B 46 84.857 -15.970 46.417 1.00 0.00 N ATOM 1546 CA LYS B 46 85.286 -16.840 47.549 1.00 0.00 C ATOM 1547 C LYS B 46 84.071 -17.156 48.422 1.00 0.00 C ATOM 1548 O LYS B 46 84.105 -18.039 49.255 1.00 0.00 O ATOM 1549 CB LYS B 46 86.344 -16.109 48.380 1.00 0.00 C ATOM 1550 CG LYS B 46 87.076 -17.111 49.274 1.00 0.00 C ATOM 1551 CD LYS B 46 88.121 -16.372 50.114 1.00 0.00 C ATOM 1552 CE LYS B 46 89.009 -17.390 50.826 1.00 0.00 C ATOM 1553 NZ LYS B 46 89.688 -18.233 49.806 1.00 0.00 N ATOM 0 H LYS B 46 84.929 -14.968 46.591 1.00 0.00 H new ATOM 0 HA LYS B 46 85.711 -17.767 47.164 1.00 0.00 H new ATOM 0 HB2 LYS B 46 87.054 -15.606 47.723 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.873 -15.338 48.990 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.366 -17.622 49.924 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.557 -17.876 48.664 1.00 0.00 H new ATOM 0 HD2 LYS B 46 88.726 -15.727 49.477 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.629 -15.729 50.843 1.00 0.00 H new ATOM 0 HE2 LYS B 46 89.747 -16.879 51.445 1.00 0.00 H new ATOM 0 HE3 LYS B 46 88.411 -18.012 51.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 90.602 -18.560 50.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.091 -19.055 49.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 89.846 -17.674 48.943 1.00 0.00 H new ATOM 1567 N GLY B 47 82.986 -16.454 48.228 1.00 0.00 N ATOM 1568 CA GLY B 47 81.765 -16.734 49.040 1.00 0.00 C ATOM 1569 C GLY B 47 81.881 -16.080 50.420 1.00 0.00 C ATOM 1570 O GLY B 47 81.385 -16.599 51.400 1.00 0.00 O ATOM 0 H GLY B 47 82.892 -15.702 47.545 1.00 0.00 H new ATOM 0 HA2 GLY B 47 80.883 -16.356 48.524 1.00 0.00 H new ATOM 0 HA3 GLY B 47 81.633 -17.810 49.150 1.00 0.00 H new ATOM 1574 N GLU B 48 82.528 -14.948 50.513 1.00 0.00 N ATOM 1575 CA GLU B 48 82.663 -14.280 51.840 1.00 0.00 C ATOM 1576 C GLU B 48 81.281 -13.871 52.353 1.00 0.00 C ATOM 1577 O GLU B 48 81.089 -13.659 53.530 1.00 0.00 O ATOM 1578 CB GLU B 48 83.540 -13.035 51.706 1.00 0.00 C ATOM 1579 CG GLU B 48 82.862 -12.032 50.766 1.00 0.00 C ATOM 1580 CD GLU B 48 83.840 -10.909 50.415 1.00 0.00 C ATOM 1581 OE1 GLU B 48 84.240 -10.194 51.322 1.00 0.00 O ATOM 1582 OE2 GLU B 48 84.166 -10.777 49.248 1.00 0.00 O ATOM 0 H GLU B 48 82.966 -14.460 49.732 1.00 0.00 H new ATOM 0 HA GLU B 48 83.123 -14.974 52.543 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.699 -12.582 52.685 1.00 0.00 H new ATOM 0 HB3 GLU B 48 84.521 -13.308 51.317 1.00 0.00 H new ATOM 0 HG2 GLU B 48 82.532 -12.536 49.858 1.00 0.00 H new ATOM 0 HG3 GLU B 48 81.973 -11.617 51.241 1.00 0.00 H new ATOM 1589 N ALA B 49 80.316 -13.758 51.480 1.00 0.00 N ATOM 1590 CA ALA B 49 78.944 -13.368 51.924 1.00 0.00 C ATOM 1591 C ALA B 49 78.111 -14.630 52.132 1.00 0.00 C ATOM 1592 O ALA B 49 78.127 -15.535 51.321 1.00 0.00 O ATOM 1593 CB ALA B 49 78.288 -12.482 50.863 1.00 0.00 C ATOM 0 H ALA B 49 80.417 -13.919 50.478 1.00 0.00 H new ATOM 0 HA ALA B 49 79.005 -12.811 52.859 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.288 -12.201 51.192 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.888 -11.584 50.717 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.220 -13.030 49.923 1.00 0.00 H new ATOM 1599 N MET B 50 77.392 -14.706 53.220 1.00 0.00 N ATOM 1600 CA MET B 50 76.559 -15.918 53.485 1.00 0.00 C ATOM 1601 C MET B 50 75.688 -15.676 54.729 1.00 0.00 C ATOM 1602 O MET B 50 75.777 -14.648 55.373 1.00 0.00 O ATOM 1603 CB MET B 50 77.491 -17.128 53.710 1.00 0.00 C ATOM 1604 CG MET B 50 76.808 -18.433 53.282 1.00 0.00 C ATOM 1605 SD MET B 50 77.930 -19.822 53.587 1.00 0.00 S ATOM 1606 CE MET B 50 77.418 -20.168 55.287 1.00 0.00 C ATOM 0 H MET B 50 77.345 -13.982 53.937 1.00 0.00 H new ATOM 0 HA MET B 50 75.908 -16.120 52.634 1.00 0.00 H new ATOM 0 HB2 MET B 50 78.412 -16.993 53.144 1.00 0.00 H new ATOM 0 HB3 MET B 50 77.769 -17.187 54.762 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.880 -18.571 53.838 1.00 0.00 H new ATOM 0 HG3 MET B 50 76.543 -18.389 52.226 1.00 0.00 H new ATOM 0 HE1 MET B 50 77.995 -21.006 55.677 1.00 0.00 H new ATOM 0 HE2 MET B 50 77.593 -19.288 55.906 1.00 0.00 H new ATOM 0 HE3 MET B 50 76.357 -20.418 55.304 1.00 0.00 H new ATOM 1616 N HIS B 51 74.857 -16.620 55.073 1.00 0.00 N ATOM 1617 CA HIS B 51 73.991 -16.451 56.268 1.00 0.00 C ATOM 1618 C HIS B 51 74.841 -16.004 57.466 1.00 0.00 C ATOM 1619 O HIS B 51 74.392 -15.253 58.307 1.00 0.00 O ATOM 1620 CB HIS B 51 73.309 -17.785 56.586 1.00 0.00 C ATOM 1621 CG HIS B 51 72.527 -17.654 57.862 1.00 0.00 C ATOM 1622 ND1 HIS B 51 71.491 -16.745 58.008 1.00 0.00 N ATOM 1623 CD2 HIS B 51 72.624 -18.310 59.061 1.00 0.00 C ATOM 1624 CE1 HIS B 51 71.006 -16.878 59.256 1.00 0.00 C ATOM 1625 NE2 HIS B 51 71.662 -17.821 59.937 1.00 0.00 N ATOM 0 H HIS B 51 74.742 -17.503 54.575 1.00 0.00 H new ATOM 0 HA HIS B 51 73.235 -15.692 56.067 1.00 0.00 H new ATOM 0 HB2 HIS B 51 72.647 -18.072 55.769 1.00 0.00 H new ATOM 0 HB3 HIS B 51 74.055 -18.573 56.683 1.00 0.00 H new ATOM 0 HD1 HIS B 51 71.157 -16.093 57.298 1.00 0.00 H new ATOM 0 HD2 HIS B 51 73.338 -19.087 59.290 1.00 0.00 H new ATOM 0 HE1 HIS B 51 70.189 -16.296 59.656 1.00 0.00 H new ATOM 1633 N GLY B 52 76.072 -16.449 57.543 1.00 0.00 N ATOM 1634 CA GLY B 52 76.957 -16.042 58.683 1.00 0.00 C ATOM 1635 C GLY B 52 76.903 -17.096 59.799 1.00 0.00 C ATOM 1636 O GLY B 52 77.529 -16.948 60.833 1.00 0.00 O ATOM 0 H GLY B 52 76.504 -17.077 56.865 1.00 0.00 H new ATOM 0 HA2 GLY B 52 77.983 -15.925 58.333 1.00 0.00 H new ATOM 0 HA3 GLY B 52 76.640 -15.074 59.071 1.00 0.00 H new ATOM 1640 N GLN B 53 76.154 -18.151 59.602 1.00 0.00 N ATOM 1641 CA GLN B 53 76.052 -19.214 60.653 1.00 0.00 C ATOM 1642 C GLN B 53 75.663 -18.565 61.982 1.00 0.00 C ATOM 1643 O GLN B 53 76.434 -18.557 62.919 1.00 0.00 O ATOM 1644 CB GLN B 53 77.406 -19.917 60.805 1.00 0.00 C ATOM 1645 CG GLN B 53 77.234 -21.205 61.612 1.00 0.00 C ATOM 1646 CD GLN B 53 78.587 -21.903 61.751 1.00 0.00 C ATOM 1647 OE1 GLN B 53 79.516 -21.599 61.032 1.00 0.00 O ATOM 1648 NE2 GLN B 53 78.738 -22.836 62.652 1.00 0.00 N ATOM 0 H GLN B 53 75.607 -18.324 58.758 1.00 0.00 H new ATOM 0 HA GLN B 53 75.297 -19.945 60.364 1.00 0.00 H new ATOM 0 HB2 GLN B 53 77.820 -20.145 59.823 1.00 0.00 H new ATOM 0 HB3 GLN B 53 78.115 -19.256 61.304 1.00 0.00 H new ATOM 0 HG2 GLN B 53 76.827 -20.978 62.597 1.00 0.00 H new ATOM 0 HG3 GLN B 53 76.521 -21.865 61.117 1.00 0.00 H new ATOM 0 HE21 GLN B 53 77.958 -23.092 63.257 1.00 0.00 H new ATOM 0 HE22 GLN B 53 79.636 -23.309 62.751 1.00 0.00 H new ATOM 1657 N VAL B 54 74.479 -18.009 62.073 1.00 0.00 N ATOM 1658 CA VAL B 54 74.061 -17.341 63.348 1.00 0.00 C ATOM 1659 C VAL B 54 73.252 -18.318 64.202 1.00 0.00 C ATOM 1660 O VAL B 54 72.628 -19.238 63.701 1.00 0.00 O ATOM 1661 CB VAL B 54 73.222 -16.097 63.025 1.00 0.00 C ATOM 1662 CG1 VAL B 54 73.234 -15.140 64.229 1.00 0.00 C ATOM 1663 CG2 VAL B 54 73.813 -15.399 61.791 1.00 0.00 C ATOM 0 H VAL B 54 73.786 -17.988 61.324 1.00 0.00 H new ATOM 0 HA VAL B 54 74.946 -17.037 63.906 1.00 0.00 H new ATOM 0 HB VAL B 54 72.193 -16.389 62.817 1.00 0.00 H new ATOM 0 HG11 VAL B 54 72.638 -14.257 63.998 1.00 0.00 H new ATOM 0 HG12 VAL B 54 72.813 -15.644 65.099 1.00 0.00 H new ATOM 0 HG13 VAL B 54 74.259 -14.839 64.444 1.00 0.00 H new ATOM 0 HG21 VAL B 54 73.222 -14.514 61.556 1.00 0.00 H new ATOM 0 HG22 VAL B 54 74.842 -15.104 61.998 1.00 0.00 H new ATOM 0 HG23 VAL B 54 73.795 -16.083 60.943 1.00 0.00 H new ATOM 1673 N ASP B 55 73.277 -18.133 65.495 1.00 0.00 N ATOM 1674 CA ASP B 55 72.528 -19.055 66.398 1.00 0.00 C ATOM 1675 C ASP B 55 72.159 -18.326 67.691 1.00 0.00 C ATOM 1676 O ASP B 55 73.019 -18.211 68.550 1.00 0.00 O ATOM 1677 CB ASP B 55 73.419 -20.255 66.724 1.00 0.00 C ATOM 1678 CG ASP B 55 72.645 -21.244 67.593 1.00 0.00 C ATOM 1679 OD1 ASP B 55 71.601 -20.866 68.092 1.00 0.00 O ATOM 1680 OD2 ASP B 55 73.111 -22.363 67.744 1.00 0.00 O ATOM 1681 OXT ASP B 55 71.022 -17.897 67.803 1.00 0.00 O ATOM 0 H ASP B 55 73.784 -17.383 65.965 1.00 0.00 H new ATOM 0 HA ASP B 55 71.615 -19.391 65.907 1.00 0.00 H new ATOM 0 HB2 ASP B 55 73.744 -20.740 65.804 1.00 0.00 H new ATOM 0 HB3 ASP B 55 74.318 -19.923 67.244 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 78.914 -2.252 35.687 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.636 -20.694 40.054 1.00 0.00 ZN