USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=27 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 Single : A 1 PHE N :NH3+ 173:sc= 0.685 (180deg=0.468) USER MOD Single : A 7 LYS NZ :NH3+ 142:sc= -0.25 (180deg=-1.03) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -0.407 (180deg=-1.22) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.185 USER MOD Single : A 17 SER OG : rot -110:sc= -0.723! USER MOD Single : A 18 ASN : amide:sc=-0.00466 K(o=-0.0047,f=-1.4) USER MOD Single : A 22 MET CE :methyl -162:sc= -0.691 (180deg=-2.18) USER MOD Single : A 24 SER OG : rot 79:sc= 0.272 USER MOD Single : A 27 ASN : amide:sc= -0.3 K(o=-0.3,f=-2.5!) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= -1.9 (180deg=-2.09) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0761) USER MOD Single : A 44 GLN : amide:sc= -1.43 K(o=-1.4,f=-2!) USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= 0.534 (180deg=-0.53) USER MOD Single : A 50 MET CE :methyl -170:sc= 0 (180deg=-0.0598) USER MOD Single : A 51 HIS : no HE2:sc= -3.21 K(o=-3.2,f=-9.5!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 1 PHE N :NH3+ 171:sc= 0.691 (180deg=0.451) USER MOD Single : B 7 LYS NZ :NH3+ 142:sc= -0.16 (180deg=-1.13) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 14 LYS NZ :NH3+ 151:sc= -0.181 (180deg=-1.15) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.319 USER MOD Single : B 17 SER OG : rot 159:sc= -0.874 USER MOD Single : B 18 ASN : amide:sc=-0.00266 K(o=-0.0027,f=-1.5!) USER MOD Single : B 22 MET CE :methyl -163:sc= -0.701 (180deg=-2.35) USER MOD Single : B 24 SER OG : rot 76:sc= 0.246 USER MOD Single : B 27 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.2) USER MOD Single : B 34 LYS NZ :NH3+ 172:sc= -1.72 (180deg=-1.95) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0822) USER MOD Single : B 44 GLN :FLIP amide:sc= -1.4 F(o=-2!,f=-1.4) USER MOD Single : B 46 LYS NZ :NH3+ 141:sc= 0.444 (180deg=-0.649) USER MOD Single : B 50 MET CE :methyl -169:sc= 0 (180deg=-0.0887) USER MOD Single : B 51 HIS : +bothHN:sc= -3.16! C(o=-3.2!,f=-10!) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.411 -3.669 24.127 1.00 0.00 N ATOM 2 CA PHE A 1 94.500 -4.206 25.177 1.00 0.00 C ATOM 3 C PHE A 1 94.049 -3.068 26.096 1.00 0.00 C ATOM 4 O PHE A 1 92.879 -2.747 26.184 1.00 0.00 O ATOM 5 CB PHE A 1 95.246 -5.247 26.015 1.00 0.00 C ATOM 6 CG PHE A 1 95.453 -6.515 25.216 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.413 -6.551 24.202 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.695 -7.661 25.501 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.618 -7.729 23.472 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.900 -8.836 24.769 1.00 0.00 C ATOM 11 CZ PHE A 1 95.858 -8.871 23.760 1.00 0.00 C ATOM 0 H1 PHE A 1 95.810 -4.457 23.577 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.878 -3.040 23.493 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.182 -3.135 24.576 1.00 0.00 H new ATOM 0 HA PHE A 1 93.633 -4.663 24.699 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.209 -4.847 26.331 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.681 -5.468 26.920 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.998 -5.670 23.981 1.00 0.00 H new ATOM 0 HD2 PHE A 1 93.953 -7.636 26.286 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.361 -7.757 22.688 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.314 -9.717 24.987 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.016 -9.780 23.198 1.00 0.00 H new ATOM 23 N LEU A 2 94.976 -2.482 26.804 1.00 0.00 N ATOM 24 CA LEU A 2 94.637 -1.392 27.762 1.00 0.00 C ATOM 25 C LEU A 2 94.157 -0.126 27.031 1.00 0.00 C ATOM 26 O LEU A 2 93.349 0.620 27.545 1.00 0.00 O ATOM 27 CB LEU A 2 95.901 -1.054 28.571 1.00 0.00 C ATOM 28 CG LEU A 2 96.534 -2.342 29.124 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.659 -1.980 30.099 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.479 -3.180 29.857 1.00 0.00 C ATOM 0 H LEU A 2 95.968 -2.716 26.758 1.00 0.00 H new ATOM 0 HA LEU A 2 93.830 -1.733 28.410 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.618 -0.530 27.939 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.648 -0.382 29.391 1.00 0.00 H new ATOM 0 HG LEU A 2 96.936 -2.922 28.293 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.108 -2.892 30.491 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.418 -1.397 29.578 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.252 -1.393 30.922 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.940 -4.089 30.243 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.066 -2.603 30.684 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.680 -3.445 29.165 1.00 0.00 H new ATOM 42 N ASP A 3 94.659 0.139 25.854 1.00 0.00 N ATOM 43 CA ASP A 3 94.241 1.376 25.126 1.00 0.00 C ATOM 44 C ASP A 3 92.756 1.318 24.754 1.00 0.00 C ATOM 45 O ASP A 3 91.989 2.198 25.090 1.00 0.00 O ATOM 46 CB ASP A 3 95.077 1.510 23.849 1.00 0.00 C ATOM 47 CG ASP A 3 94.762 2.841 23.166 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.730 3.409 23.476 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.552 3.261 22.337 1.00 0.00 O ATOM 0 H ASP A 3 95.338 -0.444 25.365 1.00 0.00 H new ATOM 0 HA ASP A 3 94.400 2.236 25.777 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.139 1.456 24.090 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.861 0.683 23.173 1.00 0.00 H new ATOM 54 N GLY A 4 92.339 0.294 24.060 1.00 0.00 N ATOM 55 CA GLY A 4 90.905 0.206 23.672 1.00 0.00 C ATOM 56 C GLY A 4 90.044 0.076 24.926 1.00 0.00 C ATOM 57 O GLY A 4 89.000 0.691 25.051 1.00 0.00 O ATOM 0 H GLY A 4 92.926 -0.480 23.747 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.615 1.093 23.109 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.746 -0.652 23.019 1.00 0.00 H new ATOM 61 N ILE A 5 90.475 -0.727 25.854 1.00 0.00 N ATOM 62 CA ILE A 5 89.692 -0.911 27.106 1.00 0.00 C ATOM 63 C ILE A 5 89.537 0.422 27.831 1.00 0.00 C ATOM 64 O ILE A 5 88.499 0.719 28.386 1.00 0.00 O ATOM 65 CB ILE A 5 90.398 -1.923 27.999 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.337 -3.293 27.310 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.694 -1.992 29.358 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.348 -4.258 27.936 1.00 0.00 C ATOM 0 H ILE A 5 91.339 -1.266 25.800 1.00 0.00 H new ATOM 0 HA ILE A 5 88.698 -1.284 26.859 1.00 0.00 H new ATOM 0 HB ILE A 5 91.435 -1.629 28.159 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.332 -3.705 27.397 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.545 -3.180 26.246 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.202 -2.717 29.994 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.721 -1.011 29.832 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.657 -2.297 29.216 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.289 -5.223 27.433 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.354 -3.853 27.826 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.122 -4.386 28.995 1.00 0.00 H new ATOM 80 N ASP A 6 90.557 1.227 27.860 1.00 0.00 N ATOM 81 CA ASP A 6 90.427 2.525 28.575 1.00 0.00 C ATOM 82 C ASP A 6 89.221 3.281 28.016 1.00 0.00 C ATOM 83 O ASP A 6 88.391 3.778 28.751 1.00 0.00 O ATOM 84 CB ASP A 6 91.694 3.353 28.367 1.00 0.00 C ATOM 85 CG ASP A 6 91.631 4.603 29.244 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.594 4.823 29.846 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.617 5.320 29.297 1.00 0.00 O ATOM 0 H ASP A 6 91.463 1.048 27.427 1.00 0.00 H new ATOM 0 HA ASP A 6 90.288 2.347 29.641 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.574 2.762 28.620 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.790 3.635 27.318 1.00 0.00 H new ATOM 92 N LYS A 7 89.099 3.350 26.719 1.00 0.00 N ATOM 93 CA LYS A 7 87.928 4.063 26.128 1.00 0.00 C ATOM 94 C LYS A 7 86.667 3.250 26.400 1.00 0.00 C ATOM 95 O LYS A 7 85.622 3.784 26.715 1.00 0.00 O ATOM 96 CB LYS A 7 88.115 4.187 24.614 1.00 0.00 C ATOM 97 CG LYS A 7 89.388 4.982 24.315 1.00 0.00 C ATOM 98 CD LYS A 7 89.435 5.309 22.823 1.00 0.00 C ATOM 99 CE LYS A 7 90.806 5.884 22.470 1.00 0.00 C ATOM 100 NZ LYS A 7 91.804 4.779 22.423 1.00 0.00 N ATOM 0 H LYS A 7 89.752 2.948 26.047 1.00 0.00 H new ATOM 0 HA LYS A 7 87.843 5.055 26.571 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.179 3.197 24.163 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.252 4.684 24.171 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.404 5.900 24.902 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.267 4.405 24.601 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.244 4.410 22.237 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.653 6.025 22.572 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.763 6.392 21.507 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.103 6.627 23.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.473 4.948 21.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.323 4.741 23.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.314 3.875 22.267 1.00 0.00 H new ATOM 114 N ALA A 8 86.756 1.956 26.277 1.00 0.00 N ATOM 115 CA ALA A 8 85.565 1.098 26.524 1.00 0.00 C ATOM 116 C ALA A 8 85.203 1.145 28.007 1.00 0.00 C ATOM 117 O ALA A 8 84.047 1.099 28.378 1.00 0.00 O ATOM 118 CB ALA A 8 85.873 -0.344 26.107 1.00 0.00 C ATOM 0 H ALA A 8 87.605 1.454 26.015 1.00 0.00 H new ATOM 0 HA ALA A 8 84.723 1.466 25.937 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.999 -0.970 26.289 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.124 -0.370 25.047 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.715 -0.719 26.688 1.00 0.00 H new ATOM 124 N GLN A 9 86.188 1.226 28.859 1.00 0.00 N ATOM 125 CA GLN A 9 85.901 1.268 30.316 1.00 0.00 C ATOM 126 C GLN A 9 84.999 2.465 30.605 1.00 0.00 C ATOM 127 O GLN A 9 84.065 2.373 31.376 1.00 0.00 O ATOM 128 CB GLN A 9 87.211 1.416 31.094 1.00 0.00 C ATOM 129 CG GLN A 9 86.948 1.211 32.588 1.00 0.00 C ATOM 130 CD GLN A 9 88.257 1.382 33.365 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.316 1.500 32.783 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.231 1.396 34.667 1.00 0.00 N ATOM 0 H GLN A 9 87.176 1.265 28.608 1.00 0.00 H new ATOM 0 HA GLN A 9 85.406 0.346 30.622 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.940 0.687 30.740 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.638 2.404 30.922 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.207 1.929 32.940 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.536 0.217 32.763 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.344 1.297 35.160 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.098 1.506 35.193 1.00 0.00 H new ATOM 141 N GLU A 10 85.261 3.583 29.981 1.00 0.00 N ATOM 142 CA GLU A 10 84.401 4.777 30.215 1.00 0.00 C ATOM 143 C GLU A 10 82.969 4.462 29.768 1.00 0.00 C ATOM 144 O GLU A 10 82.013 4.823 30.428 1.00 0.00 O ATOM 145 CB GLU A 10 84.946 5.962 29.413 1.00 0.00 C ATOM 146 CG GLU A 10 84.167 7.226 29.774 1.00 0.00 C ATOM 147 CD GLU A 10 84.685 8.404 28.942 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.666 8.225 28.237 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.092 9.466 29.025 1.00 0.00 O ATOM 0 H GLU A 10 86.029 3.720 29.324 1.00 0.00 H new ATOM 0 HA GLU A 10 84.402 5.031 31.275 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.006 6.102 29.626 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.860 5.762 28.345 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.104 7.076 29.588 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.277 7.442 30.837 1.00 0.00 H new ATOM 156 N GLU A 11 82.808 3.782 28.659 1.00 0.00 N ATOM 157 CA GLU A 11 81.433 3.440 28.196 1.00 0.00 C ATOM 158 C GLU A 11 80.758 2.588 29.263 1.00 0.00 C ATOM 159 O GLU A 11 79.592 2.749 29.549 1.00 0.00 O ATOM 160 CB GLU A 11 81.511 2.669 26.870 1.00 0.00 C ATOM 161 CG GLU A 11 80.101 2.401 26.327 1.00 0.00 C ATOM 162 CD GLU A 11 79.452 1.240 27.087 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.162 0.528 27.778 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.247 1.084 26.964 1.00 0.00 O ATOM 0 H GLU A 11 83.565 3.452 28.060 1.00 0.00 H new ATOM 0 HA GLU A 11 80.854 4.349 28.035 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.086 3.241 26.142 1.00 0.00 H new ATOM 0 HB3 GLU A 11 82.036 1.726 27.020 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.489 3.297 26.426 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.152 2.166 25.264 1.00 0.00 H new ATOM 171 N HIS A 12 81.481 1.677 29.856 1.00 0.00 N ATOM 172 CA HIS A 12 80.867 0.825 30.903 1.00 0.00 C ATOM 173 C HIS A 12 80.413 1.682 32.087 1.00 0.00 C ATOM 174 O HIS A 12 79.330 1.514 32.605 1.00 0.00 O ATOM 175 CB HIS A 12 81.873 -0.211 31.410 1.00 0.00 C ATOM 176 CG HIS A 12 81.150 -1.092 32.380 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.780 -2.407 32.072 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.624 -0.827 33.614 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.047 -2.870 33.107 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.939 -1.940 34.041 1.00 0.00 N ATOM 0 H HIS A 12 82.464 1.490 29.659 1.00 0.00 H new ATOM 0 HA HIS A 12 80.009 0.318 30.461 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.272 -0.797 30.582 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.719 0.278 31.892 1.00 0.00 H new ATOM 0 HD1 HIS A 12 81.020 -2.920 31.223 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.729 0.099 34.160 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.612 -3.857 33.164 1.00 0.00 H new ATOM 188 N GLU A 13 81.243 2.579 32.539 1.00 0.00 N ATOM 189 CA GLU A 13 80.862 3.427 33.702 1.00 0.00 C ATOM 190 C GLU A 13 79.607 4.246 33.377 1.00 0.00 C ATOM 191 O GLU A 13 78.706 4.373 34.182 1.00 0.00 O ATOM 192 CB GLU A 13 82.021 4.372 34.022 1.00 0.00 C ATOM 193 CG GLU A 13 81.758 5.069 35.357 1.00 0.00 C ATOM 194 CD GLU A 13 82.895 6.048 35.657 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.795 6.152 34.837 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.844 6.682 36.697 1.00 0.00 O ATOM 0 H GLU A 13 82.169 2.762 32.153 1.00 0.00 H new ATOM 0 HA GLU A 13 80.648 2.789 34.560 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.956 3.814 34.069 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.130 5.112 33.229 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.807 5.600 35.320 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.680 4.331 36.155 1.00 0.00 H new ATOM 203 N LYS A 14 79.559 4.825 32.212 1.00 0.00 N ATOM 204 CA LYS A 14 78.389 5.671 31.825 1.00 0.00 C ATOM 205 C LYS A 14 77.068 4.890 31.784 1.00 0.00 C ATOM 206 O LYS A 14 76.012 5.461 31.985 1.00 0.00 O ATOM 207 CB LYS A 14 78.637 6.261 30.435 1.00 0.00 C ATOM 208 CG LYS A 14 79.824 7.227 30.479 1.00 0.00 C ATOM 209 CD LYS A 14 80.152 7.705 29.058 1.00 0.00 C ATOM 210 CE LYS A 14 79.084 8.690 28.555 1.00 0.00 C ATOM 211 NZ LYS A 14 78.811 9.721 29.598 1.00 0.00 N ATOM 0 H LYS A 14 80.286 4.750 31.501 1.00 0.00 H new ATOM 0 HA LYS A 14 78.294 6.446 32.585 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.835 5.461 29.722 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.745 6.783 30.088 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.588 8.080 31.115 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.692 6.733 30.917 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.130 8.185 29.047 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.210 6.849 28.385 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.423 9.170 27.637 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.167 8.153 28.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.399 10.566 29.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.143 9.339 30.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.700 9.979 30.073 1.00 0.00 H new ATOM 225 N TYR A 15 77.090 3.617 31.462 1.00 0.00 N ATOM 226 CA TYR A 15 75.792 2.863 31.342 1.00 0.00 C ATOM 227 C TYR A 15 75.870 1.452 31.939 1.00 0.00 C ATOM 228 O TYR A 15 74.881 0.746 31.962 1.00 0.00 O ATOM 229 CB TYR A 15 75.451 2.735 29.851 1.00 0.00 C ATOM 230 CG TYR A 15 75.586 4.086 29.182 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.521 4.996 29.218 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.782 4.431 28.531 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.647 6.247 28.605 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.907 5.685 27.917 1.00 0.00 C ATOM 235 CZ TYR A 15 75.840 6.595 27.956 1.00 0.00 C ATOM 236 OH TYR A 15 75.963 7.827 27.352 1.00 0.00 O ATOM 0 H TYR A 15 77.933 3.072 31.279 1.00 0.00 H new ATOM 0 HA TYR A 15 75.032 3.416 31.895 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.117 2.014 29.376 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.435 2.358 29.731 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.602 4.731 29.720 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.604 3.731 28.504 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.824 6.946 28.632 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.825 5.951 27.414 1.00 0.00 H new ATOM 0 HH TYR A 15 75.409 8.481 27.827 1.00 0.00 H new ATOM 246 N HIS A 16 77.019 1.006 32.378 1.00 0.00 N ATOM 247 CA HIS A 16 77.119 -0.386 32.914 1.00 0.00 C ATOM 248 C HIS A 16 76.580 -1.326 31.840 1.00 0.00 C ATOM 249 O HIS A 16 75.837 -2.246 32.107 1.00 0.00 O ATOM 250 CB HIS A 16 76.299 -0.560 34.206 1.00 0.00 C ATOM 251 CG HIS A 16 76.947 0.168 35.358 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.015 -0.343 36.088 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.667 1.378 35.961 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.343 0.511 37.058 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.547 1.585 37.028 1.00 0.00 N ATOM 0 H HIS A 16 77.887 1.541 32.389 1.00 0.00 H new ATOM 0 HA HIS A 16 78.158 -0.606 33.158 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.288 -0.181 34.054 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.210 -1.620 34.445 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.888 2.060 35.655 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.141 0.357 37.769 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.576 2.390 37.654 1.00 0.00 H new ATOM 263 N SER A 17 76.933 -1.069 30.616 1.00 0.00 N ATOM 264 CA SER A 17 76.431 -1.910 29.494 1.00 0.00 C ATOM 265 C SER A 17 76.959 -3.339 29.631 1.00 0.00 C ATOM 266 O SER A 17 78.006 -3.572 30.199 1.00 0.00 O ATOM 267 CB SER A 17 76.910 -1.321 28.166 1.00 0.00 C ATOM 268 OG SER A 17 78.329 -1.301 28.149 1.00 0.00 O ATOM 0 H SER A 17 77.552 -0.307 30.340 1.00 0.00 H new ATOM 0 HA SER A 17 75.341 -1.927 29.522 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.533 -1.915 27.334 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.519 -0.312 28.040 1.00 0.00 H new ATOM 0 HG SER A 17 78.644 -0.375 28.209 1.00 0.00 H new ATOM 274 N ASN A 18 76.244 -4.296 29.097 1.00 0.00 N ATOM 275 CA ASN A 18 76.705 -5.711 29.186 1.00 0.00 C ATOM 276 C ASN A 18 77.915 -5.903 28.274 1.00 0.00 C ATOM 277 O ASN A 18 78.129 -5.142 27.349 1.00 0.00 O ATOM 278 CB ASN A 18 75.579 -6.653 28.750 1.00 0.00 C ATOM 279 CG ASN A 18 74.395 -6.535 29.715 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.540 -6.052 30.821 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.222 -6.969 29.346 1.00 0.00 N ATOM 0 H ASN A 18 75.362 -4.157 28.604 1.00 0.00 H new ATOM 0 HA ASN A 18 76.981 -5.939 30.216 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.259 -6.407 27.737 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.941 -7.681 28.729 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.430 -6.903 29.985 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.097 -7.375 28.419 1.00 0.00 H new ATOM 288 N TRP A 19 78.717 -6.904 28.533 1.00 0.00 N ATOM 289 CA TRP A 19 79.924 -7.133 27.688 1.00 0.00 C ATOM 290 C TRP A 19 79.530 -7.292 26.218 1.00 0.00 C ATOM 291 O TRP A 19 80.272 -6.924 25.330 1.00 0.00 O ATOM 292 CB TRP A 19 80.670 -8.381 28.170 1.00 0.00 C ATOM 293 CG TRP A 19 79.890 -9.623 27.861 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.064 -10.261 28.723 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.870 -10.398 26.627 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.543 -11.381 28.092 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.009 -11.504 26.797 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.511 -10.245 25.389 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.796 -12.427 25.773 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.298 -11.169 24.355 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.445 -12.259 24.546 1.00 0.00 C ATOM 0 H TRP A 19 78.587 -7.572 29.293 1.00 0.00 H new ATOM 0 HA TRP A 19 80.580 -6.267 27.778 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.648 -8.432 27.691 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.844 -8.314 29.244 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.847 -9.950 29.734 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.894 -12.035 28.531 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.175 -9.408 25.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.134 -13.266 25.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.796 -11.037 23.406 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.287 -12.970 23.748 1.00 0.00 H new ATOM 312 N ARG A 20 78.378 -7.838 25.946 1.00 0.00 N ATOM 313 CA ARG A 20 77.964 -8.009 24.527 1.00 0.00 C ATOM 314 C ARG A 20 77.881 -6.640 23.861 1.00 0.00 C ATOM 315 O ARG A 20 78.267 -6.462 22.721 1.00 0.00 O ATOM 316 CB ARG A 20 76.590 -8.674 24.471 1.00 0.00 C ATOM 317 CG ARG A 20 76.677 -10.091 25.036 1.00 0.00 C ATOM 318 CD ARG A 20 75.311 -10.768 24.906 1.00 0.00 C ATOM 319 NE ARG A 20 75.348 -12.114 25.540 1.00 0.00 N ATOM 320 CZ ARG A 20 74.230 -12.715 25.853 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.086 -12.161 25.552 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.253 -13.877 26.447 1.00 0.00 N ATOM 0 H ARG A 20 77.709 -8.171 26.640 1.00 0.00 H new ATOM 0 HA ARG A 20 78.693 -8.632 24.009 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.869 -8.089 25.042 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.232 -8.704 23.442 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.433 -10.664 24.499 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.983 -10.060 26.082 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.545 -10.154 25.380 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.040 -10.860 23.854 1.00 0.00 H new ATOM 0 HE ARG A 20 76.243 -12.566 25.730 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.066 -11.261 25.073 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.213 -12.629 25.796 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.145 -14.319 26.668 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.379 -14.343 26.690 1.00 0.00 H new ATOM 336 N ALA A 21 77.376 -5.674 24.567 1.00 0.00 N ATOM 337 CA ALA A 21 77.259 -4.314 23.991 1.00 0.00 C ATOM 338 C ALA A 21 78.658 -3.724 23.809 1.00 0.00 C ATOM 339 O ALA A 21 78.996 -3.220 22.758 1.00 0.00 O ATOM 340 CB ALA A 21 76.426 -3.448 24.943 1.00 0.00 C ATOM 0 H ALA A 21 77.037 -5.770 25.524 1.00 0.00 H new ATOM 0 HA ALA A 21 76.767 -4.350 23.019 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.331 -2.443 24.532 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.435 -3.887 25.061 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.918 -3.398 25.914 1.00 0.00 H new ATOM 346 N MET A 22 79.480 -3.793 24.820 1.00 0.00 N ATOM 347 CA MET A 22 80.857 -3.243 24.683 1.00 0.00 C ATOM 348 C MET A 22 81.590 -4.005 23.578 1.00 0.00 C ATOM 349 O MET A 22 82.306 -3.435 22.777 1.00 0.00 O ATOM 350 CB MET A 22 81.619 -3.407 25.996 1.00 0.00 C ATOM 351 CG MET A 22 81.026 -2.474 27.053 1.00 0.00 C ATOM 352 SD MET A 22 82.079 -2.471 28.523 1.00 0.00 S ATOM 353 CE MET A 22 81.696 -4.141 29.095 1.00 0.00 C ATOM 0 H MET A 22 79.260 -4.203 25.728 1.00 0.00 H new ATOM 0 HA MET A 22 80.799 -2.183 24.434 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.561 -4.441 26.335 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.674 -3.180 25.847 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.940 -1.464 26.653 1.00 0.00 H new ATOM 0 HG3 MET A 22 80.019 -2.799 27.316 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.980 -4.241 30.143 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.627 -4.326 28.989 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.250 -4.866 28.499 1.00 0.00 H new ATOM 363 N ALA A 23 81.411 -5.294 23.526 1.00 0.00 N ATOM 364 CA ALA A 23 82.093 -6.087 22.467 1.00 0.00 C ATOM 365 C ALA A 23 81.683 -5.548 21.098 1.00 0.00 C ATOM 366 O ALA A 23 82.511 -5.330 20.236 1.00 0.00 O ATOM 367 CB ALA A 23 81.688 -7.557 22.577 1.00 0.00 C ATOM 0 H ALA A 23 80.826 -5.830 24.166 1.00 0.00 H new ATOM 0 HA ALA A 23 83.173 -6.004 22.590 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.190 -8.132 21.799 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.976 -7.941 23.556 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.609 -7.647 22.455 1.00 0.00 H new ATOM 373 N SER A 24 80.414 -5.338 20.886 1.00 0.00 N ATOM 374 CA SER A 24 79.959 -4.812 19.567 1.00 0.00 C ATOM 375 C SER A 24 80.390 -3.348 19.403 1.00 0.00 C ATOM 376 O SER A 24 80.691 -2.899 18.314 1.00 0.00 O ATOM 377 CB SER A 24 78.436 -4.907 19.470 1.00 0.00 C ATOM 378 OG SER A 24 78.034 -6.260 19.659 1.00 0.00 O ATOM 0 H SER A 24 79.673 -5.507 21.566 1.00 0.00 H new ATOM 0 HA SER A 24 80.413 -5.409 18.776 1.00 0.00 H new ATOM 0 HB2 SER A 24 77.972 -4.270 20.223 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.099 -4.548 18.497 1.00 0.00 H new ATOM 0 HG SER A 24 78.045 -6.474 20.615 1.00 0.00 H new ATOM 384 N ASP A 25 80.403 -2.594 20.468 1.00 0.00 N ATOM 385 CA ASP A 25 80.795 -1.160 20.347 1.00 0.00 C ATOM 386 C ASP A 25 82.233 -1.051 19.838 1.00 0.00 C ATOM 387 O ASP A 25 82.540 -0.220 19.007 1.00 0.00 O ATOM 388 CB ASP A 25 80.695 -0.473 21.709 1.00 0.00 C ATOM 389 CG ASP A 25 81.056 1.004 21.563 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.473 1.387 20.484 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.904 1.725 22.534 1.00 0.00 O ATOM 0 H ASP A 25 80.162 -2.905 21.409 1.00 0.00 H new ATOM 0 HA ASP A 25 80.120 -0.674 19.642 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.685 -0.574 22.106 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.366 -0.954 22.421 1.00 0.00 H new ATOM 396 N PHE A 26 83.117 -1.875 20.340 1.00 0.00 N ATOM 397 CA PHE A 26 84.552 -1.825 19.904 1.00 0.00 C ATOM 398 C PHE A 26 84.893 -3.058 19.063 1.00 0.00 C ATOM 399 O PHE A 26 86.013 -3.228 18.626 1.00 0.00 O ATOM 400 CB PHE A 26 85.433 -1.799 21.146 1.00 0.00 C ATOM 401 CG PHE A 26 85.174 -0.513 21.887 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.932 0.627 21.592 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.173 -0.460 22.867 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.689 1.822 22.275 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.929 0.737 23.551 1.00 0.00 C ATOM 406 CZ PHE A 26 84.687 1.876 23.253 1.00 0.00 C ATOM 0 H PHE A 26 82.907 -2.587 21.039 1.00 0.00 H new ATOM 0 HA PHE A 26 84.720 -0.933 19.300 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.214 -2.655 21.784 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.484 -1.871 20.867 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.704 0.583 20.838 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.591 -1.341 23.094 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.273 2.702 22.049 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.158 0.782 24.306 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.499 2.800 23.779 1.00 0.00 H new ATOM 416 N ASN A 27 83.937 -3.914 18.834 1.00 0.00 N ATOM 417 CA ASN A 27 84.205 -5.131 18.019 1.00 0.00 C ATOM 418 C ASN A 27 85.386 -5.905 18.619 1.00 0.00 C ATOM 419 O ASN A 27 86.325 -6.251 17.928 1.00 0.00 O ATOM 420 CB ASN A 27 84.520 -4.723 16.576 1.00 0.00 C ATOM 421 CG ASN A 27 83.340 -3.933 16.005 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.237 -4.024 16.506 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.525 -3.156 14.973 1.00 0.00 N ATOM 0 H ASN A 27 82.981 -3.823 19.176 1.00 0.00 H new ATOM 0 HA ASN A 27 83.324 -5.773 18.023 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.426 -4.118 16.547 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.708 -5.608 15.968 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.744 -2.625 14.587 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.451 -3.079 14.552 1.00 0.00 H new ATOM 430 N LEU A 28 85.340 -6.181 19.902 1.00 0.00 N ATOM 431 CA LEU A 28 86.448 -6.938 20.578 1.00 0.00 C ATOM 432 C LEU A 28 85.896 -8.284 21.078 1.00 0.00 C ATOM 433 O LEU A 28 84.716 -8.402 21.347 1.00 0.00 O ATOM 434 CB LEU A 28 86.941 -6.110 21.778 1.00 0.00 C ATOM 435 CG LEU A 28 87.632 -4.829 21.285 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.842 -3.874 22.467 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.997 -5.165 20.649 1.00 0.00 C ATOM 0 H LEU A 28 84.573 -5.911 20.518 1.00 0.00 H new ATOM 0 HA LEU A 28 87.270 -7.115 19.884 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.101 -5.854 22.424 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.635 -6.700 22.377 1.00 0.00 H new ATOM 0 HG LEU A 28 87.000 -4.355 20.534 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.332 -2.965 22.118 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.877 -3.620 22.906 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.466 -4.357 23.219 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.474 -4.247 20.305 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.634 -5.649 21.389 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.849 -5.836 19.803 1.00 0.00 H new ATOM 449 N PRO A 29 86.726 -9.301 21.201 1.00 0.00 N ATOM 450 CA PRO A 29 86.269 -10.643 21.678 1.00 0.00 C ATOM 451 C PRO A 29 85.698 -10.576 23.113 1.00 0.00 C ATOM 452 O PRO A 29 86.181 -9.820 23.929 1.00 0.00 O ATOM 453 CB PRO A 29 87.543 -11.515 21.627 1.00 0.00 C ATOM 454 CG PRO A 29 88.684 -10.548 21.609 1.00 0.00 C ATOM 455 CD PRO A 29 88.171 -9.299 20.898 1.00 0.00 C ATOM 0 HA PRO A 29 85.461 -11.042 21.066 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.602 -12.176 22.492 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.551 -12.149 20.740 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.011 -10.313 22.622 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.543 -10.969 21.086 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.658 -8.397 21.269 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.356 -9.343 19.825 1.00 0.00 H new ATOM 463 N PRO A 30 84.676 -11.348 23.421 1.00 0.00 N ATOM 464 CA PRO A 30 84.054 -11.341 24.772 1.00 0.00 C ATOM 465 C PRO A 30 85.094 -11.229 25.887 1.00 0.00 C ATOM 466 O PRO A 30 84.850 -10.636 26.914 1.00 0.00 O ATOM 467 CB PRO A 30 83.317 -12.686 24.862 1.00 0.00 C ATOM 468 CG PRO A 30 83.101 -13.146 23.441 1.00 0.00 C ATOM 469 CD PRO A 30 84.003 -12.298 22.520 1.00 0.00 C ATOM 0 HA PRO A 30 83.395 -10.482 24.900 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.904 -13.414 25.422 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.366 -12.574 25.383 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.344 -14.204 23.342 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.054 -13.032 23.159 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.725 -12.921 21.991 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.417 -11.777 21.763 1.00 0.00 H new ATOM 477 N VAL A 31 86.239 -11.817 25.701 1.00 0.00 N ATOM 478 CA VAL A 31 87.282 -11.767 26.771 1.00 0.00 C ATOM 479 C VAL A 31 87.573 -10.324 27.156 1.00 0.00 C ATOM 480 O VAL A 31 87.600 -9.979 28.321 1.00 0.00 O ATOM 481 CB VAL A 31 88.567 -12.417 26.247 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.687 -12.367 27.302 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.278 -13.875 25.889 1.00 0.00 C ATOM 0 H VAL A 31 86.502 -12.330 24.859 1.00 0.00 H new ATOM 0 HA VAL A 31 86.920 -12.302 27.649 1.00 0.00 H new ATOM 0 HB VAL A 31 88.900 -11.866 25.367 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.586 -12.836 26.901 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.902 -11.329 27.556 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.368 -12.901 28.197 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.188 -14.345 25.515 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.933 -14.406 26.776 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.507 -13.915 25.120 1.00 0.00 H new ATOM 493 N VAL A 32 87.813 -9.483 26.208 1.00 0.00 N ATOM 494 CA VAL A 32 88.122 -8.077 26.572 1.00 0.00 C ATOM 495 C VAL A 32 86.888 -7.426 27.183 1.00 0.00 C ATOM 496 O VAL A 32 86.950 -6.793 28.218 1.00 0.00 O ATOM 497 CB VAL A 32 88.548 -7.308 25.331 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.898 -5.870 25.722 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.764 -7.990 24.710 1.00 0.00 C ATOM 0 H VAL A 32 87.811 -9.696 25.210 1.00 0.00 H new ATOM 0 HA VAL A 32 88.934 -8.062 27.298 1.00 0.00 H new ATOM 0 HB VAL A 32 87.735 -7.294 24.606 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.204 -5.316 24.835 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.025 -5.391 26.166 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.714 -5.878 26.444 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.073 -7.442 23.820 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.582 -8.003 25.431 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.507 -9.013 24.435 1.00 0.00 H new ATOM 509 N ALA A 33 85.766 -7.570 26.544 1.00 0.00 N ATOM 510 CA ALA A 33 84.525 -6.953 27.083 1.00 0.00 C ATOM 511 C ALA A 33 84.143 -7.632 28.407 1.00 0.00 C ATOM 512 O ALA A 33 83.800 -6.979 29.376 1.00 0.00 O ATOM 513 CB ALA A 33 83.394 -7.127 26.068 1.00 0.00 C ATOM 0 H ALA A 33 85.653 -8.087 25.672 1.00 0.00 H new ATOM 0 HA ALA A 33 84.693 -5.891 27.263 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.482 -6.676 26.459 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.667 -6.640 25.132 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.226 -8.189 25.889 1.00 0.00 H new ATOM 519 N LYS A 34 84.200 -8.935 28.462 1.00 0.00 N ATOM 520 CA LYS A 34 83.838 -9.643 29.724 1.00 0.00 C ATOM 521 C LYS A 34 84.764 -9.192 30.855 1.00 0.00 C ATOM 522 O LYS A 34 84.351 -9.062 31.991 1.00 0.00 O ATOM 523 CB LYS A 34 83.986 -11.156 29.524 1.00 0.00 C ATOM 524 CG LYS A 34 82.937 -11.685 28.512 1.00 0.00 C ATOM 525 CD LYS A 34 81.709 -12.263 29.248 1.00 0.00 C ATOM 526 CE LYS A 34 81.933 -13.746 29.568 1.00 0.00 C ATOM 527 NZ LYS A 34 83.267 -13.929 30.206 1.00 0.00 N ATOM 0 H LYS A 34 84.481 -9.539 27.690 1.00 0.00 H new ATOM 0 HA LYS A 34 82.806 -9.406 29.983 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.990 -11.383 29.165 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.866 -11.667 30.479 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.623 -10.877 27.851 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.386 -12.455 27.884 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.533 -11.707 30.169 1.00 0.00 H new ATOM 0 HD3 LYS A 34 80.818 -12.147 28.631 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.149 -14.106 30.234 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.872 -14.338 28.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 83.386 -14.925 30.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 84.013 -13.665 29.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.334 -13.325 31.050 1.00 0.00 H new ATOM 541 N GLU A 35 86.020 -8.980 30.563 1.00 0.00 N ATOM 542 CA GLU A 35 86.971 -8.563 31.631 1.00 0.00 C ATOM 543 C GLU A 35 86.526 -7.241 32.256 1.00 0.00 C ATOM 544 O GLU A 35 86.617 -7.054 33.450 1.00 0.00 O ATOM 545 CB GLU A 35 88.375 -8.417 31.039 1.00 0.00 C ATOM 546 CG GLU A 35 89.396 -8.253 32.171 1.00 0.00 C ATOM 547 CD GLU A 35 89.335 -6.832 32.732 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.802 -5.965 32.058 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.827 -6.633 33.831 1.00 0.00 O ATOM 0 H GLU A 35 86.427 -9.078 29.633 1.00 0.00 H new ATOM 0 HA GLU A 35 86.985 -9.326 32.410 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.620 -9.293 30.439 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.412 -7.554 30.374 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.192 -8.974 32.963 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.399 -8.463 31.800 1.00 0.00 H new ATOM 556 N ILE A 36 86.044 -6.317 31.467 1.00 0.00 N ATOM 557 CA ILE A 36 85.601 -5.016 32.047 1.00 0.00 C ATOM 558 C ILE A 36 84.493 -5.286 33.063 1.00 0.00 C ATOM 559 O ILE A 36 84.437 -4.685 34.118 1.00 0.00 O ATOM 560 CB ILE A 36 85.090 -4.093 30.931 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.230 -3.858 29.929 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.638 -2.748 31.527 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.779 -2.894 28.831 1.00 0.00 C ATOM 0 H ILE A 36 85.939 -6.405 30.456 1.00 0.00 H new ATOM 0 HA ILE A 36 86.438 -4.524 32.542 1.00 0.00 H new ATOM 0 HB ILE A 36 84.240 -4.556 30.429 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.099 -3.451 30.445 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.536 -4.806 29.487 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.277 -2.099 30.729 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.837 -2.919 32.246 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.480 -2.271 32.029 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.596 -2.736 28.127 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.923 -3.317 28.304 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.495 -1.941 29.278 1.00 0.00 H new ATOM 575 N VAL A 37 83.622 -6.197 32.758 1.00 0.00 N ATOM 576 CA VAL A 37 82.531 -6.524 33.709 1.00 0.00 C ATOM 577 C VAL A 37 83.170 -7.066 34.992 1.00 0.00 C ATOM 578 O VAL A 37 82.746 -6.772 36.093 1.00 0.00 O ATOM 579 CB VAL A 37 81.621 -7.587 33.087 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.483 -7.942 34.055 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.028 -7.045 31.789 1.00 0.00 C ATOM 0 H VAL A 37 83.617 -6.732 31.889 1.00 0.00 H new ATOM 0 HA VAL A 37 81.935 -5.640 33.933 1.00 0.00 H new ATOM 0 HB VAL A 37 82.207 -8.483 32.883 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.843 -8.699 33.602 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.903 -8.330 34.983 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.895 -7.049 34.268 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.379 -7.799 31.343 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.448 -6.147 32.001 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.833 -6.802 31.095 1.00 0.00 H new ATOM 591 N ALA A 38 84.196 -7.852 34.846 1.00 0.00 N ATOM 592 CA ALA A 38 84.891 -8.418 36.035 1.00 0.00 C ATOM 593 C ALA A 38 85.456 -7.282 36.904 1.00 0.00 C ATOM 594 O ALA A 38 85.541 -7.395 38.110 1.00 0.00 O ATOM 595 CB ALA A 38 86.030 -9.325 35.570 1.00 0.00 C ATOM 0 H ALA A 38 84.588 -8.130 33.946 1.00 0.00 H new ATOM 0 HA ALA A 38 84.181 -8.996 36.626 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.541 -9.741 36.438 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.625 -10.136 34.964 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.737 -8.746 34.976 1.00 0.00 H new ATOM 601 N SER A 39 85.852 -6.190 36.301 1.00 0.00 N ATOM 602 CA SER A 39 86.415 -5.058 37.096 1.00 0.00 C ATOM 603 C SER A 39 85.278 -4.271 37.752 1.00 0.00 C ATOM 604 O SER A 39 85.457 -3.647 38.778 1.00 0.00 O ATOM 605 CB SER A 39 87.201 -4.128 36.171 1.00 0.00 C ATOM 606 OG SER A 39 88.156 -4.894 35.442 1.00 0.00 O ATOM 0 H SER A 39 85.810 -6.034 35.294 1.00 0.00 H new ATOM 0 HA SER A 39 87.075 -5.455 37.868 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.524 -3.620 35.485 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.704 -3.356 36.753 1.00 0.00 H new ATOM 0 HG SER A 39 88.662 -4.304 34.846 1.00 0.00 H new ATOM 612 N CYS A 40 84.108 -4.297 37.173 1.00 0.00 N ATOM 613 CA CYS A 40 82.966 -3.546 37.769 1.00 0.00 C ATOM 614 C CYS A 40 82.360 -4.374 38.898 1.00 0.00 C ATOM 615 O CYS A 40 81.640 -5.325 38.667 1.00 0.00 O ATOM 616 CB CYS A 40 81.911 -3.292 36.692 1.00 0.00 C ATOM 617 SG CYS A 40 80.470 -2.493 37.440 1.00 0.00 S ATOM 0 H CYS A 40 83.894 -4.805 36.315 1.00 0.00 H new ATOM 0 HA CYS A 40 83.314 -2.592 38.164 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.323 -2.660 35.905 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.618 -4.232 36.225 1.00 0.00 H new ATOM 622 N ASP A 41 82.645 -4.022 40.118 1.00 0.00 N ATOM 623 CA ASP A 41 82.091 -4.791 41.268 1.00 0.00 C ATOM 624 C ASP A 41 80.560 -4.749 41.238 1.00 0.00 C ATOM 625 O ASP A 41 79.901 -5.670 41.676 1.00 0.00 O ATOM 626 CB ASP A 41 82.586 -4.171 42.582 1.00 0.00 C ATOM 627 CG ASP A 41 84.085 -4.438 42.748 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.583 -5.348 42.105 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.709 -3.725 43.516 1.00 0.00 O ATOM 0 H ASP A 41 83.239 -3.233 40.371 1.00 0.00 H new ATOM 0 HA ASP A 41 82.425 -5.826 41.197 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.396 -3.098 42.583 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.037 -4.593 43.424 1.00 0.00 H new ATOM 634 N LYS A 42 79.984 -3.683 40.742 1.00 0.00 N ATOM 635 CA LYS A 42 78.496 -3.588 40.723 1.00 0.00 C ATOM 636 C LYS A 42 77.889 -4.577 39.720 1.00 0.00 C ATOM 637 O LYS A 42 76.877 -5.191 39.993 1.00 0.00 O ATOM 638 CB LYS A 42 78.084 -2.166 40.328 1.00 0.00 C ATOM 639 CG LYS A 42 78.587 -1.175 41.377 1.00 0.00 C ATOM 640 CD LYS A 42 78.075 0.230 41.034 1.00 0.00 C ATOM 641 CE LYS A 42 78.661 1.239 42.021 1.00 0.00 C ATOM 642 NZ LYS A 42 77.993 1.080 43.343 1.00 0.00 N ATOM 0 H LYS A 42 80.478 -2.880 40.352 1.00 0.00 H new ATOM 0 HA LYS A 42 78.127 -3.831 41.719 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.496 -1.916 39.350 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.999 -2.101 40.243 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.240 -1.469 42.368 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.677 -1.180 41.406 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.359 0.494 40.015 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.986 0.253 41.077 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.735 1.084 42.122 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.519 2.254 41.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.276 1.859 43.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.961 1.097 43.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.275 0.173 43.767 1.00 0.00 H new ATOM 656 N CYS A 43 78.485 -4.747 38.567 1.00 0.00 N ATOM 657 CA CYS A 43 77.911 -5.708 37.572 1.00 0.00 C ATOM 658 C CYS A 43 78.406 -7.123 37.884 1.00 0.00 C ATOM 659 O CYS A 43 77.755 -8.102 37.573 1.00 0.00 O ATOM 660 CB CYS A 43 78.344 -5.315 36.161 1.00 0.00 C ATOM 661 SG CYS A 43 77.462 -3.816 35.654 1.00 0.00 S ATOM 0 H CYS A 43 79.336 -4.268 38.272 1.00 0.00 H new ATOM 0 HA CYS A 43 76.823 -5.680 37.633 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.420 -5.143 36.134 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.133 -6.127 35.465 1.00 0.00 H new ATOM 666 N GLN A 44 79.547 -7.246 38.506 1.00 0.00 N ATOM 667 CA GLN A 44 80.057 -8.601 38.840 1.00 0.00 C ATOM 668 C GLN A 44 79.228 -9.130 39.999 1.00 0.00 C ATOM 669 O GLN A 44 78.391 -9.994 39.835 1.00 0.00 O ATOM 670 CB GLN A 44 81.524 -8.515 39.272 1.00 0.00 C ATOM 671 CG GLN A 44 82.092 -9.924 39.427 1.00 0.00 C ATOM 672 CD GLN A 44 83.506 -9.836 39.993 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.392 -9.092 39.393 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.812 -10.450 40.994 1.00 0.00 N ATOM 0 H GLN A 44 80.143 -6.470 38.795 1.00 0.00 H new ATOM 0 HA GLN A 44 79.984 -9.257 37.973 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.100 -7.958 38.533 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.606 -7.973 40.214 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.458 -10.513 40.090 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.104 -10.432 38.463 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.121 -11.033 41.466 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.760 -10.383 41.364 1.00 0.00 H new ATOM 683 N LEU A 45 79.428 -8.585 41.163 1.00 0.00 N ATOM 684 CA LEU A 45 78.623 -9.022 42.330 1.00 0.00 C ATOM 685 C LEU A 45 77.310 -8.240 42.287 1.00 0.00 C ATOM 686 O LEU A 45 77.275 -7.053 42.546 1.00 0.00 O ATOM 687 CB LEU A 45 79.363 -8.695 43.631 1.00 0.00 C ATOM 688 CG LEU A 45 80.776 -9.294 43.597 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.467 -9.045 44.943 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.691 -10.811 43.340 1.00 0.00 C ATOM 0 H LEU A 45 80.115 -7.856 41.356 1.00 0.00 H new ATOM 0 HA LEU A 45 78.447 -10.097 42.294 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.420 -7.615 43.765 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.811 -9.093 44.483 1.00 0.00 H new ATOM 0 HG LEU A 45 81.348 -8.823 42.798 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.471 -9.470 44.921 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.531 -7.972 45.126 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.891 -9.516 45.740 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.696 -11.233 43.316 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.118 -11.284 44.137 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.199 -10.991 42.384 1.00 0.00 H new ATOM 702 N LYS A 46 76.232 -8.884 41.943 1.00 0.00 N ATOM 703 CA LYS A 46 74.929 -8.166 41.871 1.00 0.00 C ATOM 704 C LYS A 46 74.262 -8.194 43.244 1.00 0.00 C ATOM 705 O LYS A 46 73.162 -7.704 43.430 1.00 0.00 O ATOM 706 CB LYS A 46 74.028 -8.840 40.837 1.00 0.00 C ATOM 707 CG LYS A 46 74.702 -8.782 39.467 1.00 0.00 C ATOM 708 CD LYS A 46 73.773 -9.386 38.416 1.00 0.00 C ATOM 709 CE LYS A 46 74.456 -9.336 37.054 1.00 0.00 C ATOM 710 NZ LYS A 46 75.672 -10.196 37.082 1.00 0.00 N ATOM 0 H LYS A 46 76.196 -9.876 41.708 1.00 0.00 H new ATOM 0 HA LYS A 46 75.096 -7.131 41.573 1.00 0.00 H new ATOM 0 HB2 LYS A 46 73.842 -9.876 41.120 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.060 -8.341 40.800 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.937 -7.749 39.209 1.00 0.00 H new ATOM 0 HG3 LYS A 46 75.645 -9.328 39.491 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.531 -10.416 38.677 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.833 -8.835 38.385 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.772 -9.679 36.278 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.728 -8.310 36.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 75.772 -10.685 36.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 76.511 -9.605 37.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 75.583 -10.898 37.844 1.00 0.00 H new ATOM 724 N GLY A 47 74.926 -8.762 44.214 1.00 0.00 N ATOM 725 CA GLY A 47 74.348 -8.826 45.588 1.00 0.00 C ATOM 726 C GLY A 47 73.630 -10.157 45.783 1.00 0.00 C ATOM 727 O GLY A 47 73.160 -10.464 46.862 1.00 0.00 O ATOM 0 H GLY A 47 75.848 -9.186 44.114 1.00 0.00 H new ATOM 0 HA2 GLY A 47 75.138 -8.716 46.331 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.652 -8.001 45.739 1.00 0.00 H new ATOM 731 N GLU A 48 73.538 -10.958 44.753 1.00 0.00 N ATOM 732 CA GLU A 48 72.852 -12.268 44.908 1.00 0.00 C ATOM 733 C GLU A 48 73.742 -13.196 45.739 1.00 0.00 C ATOM 734 O GLU A 48 73.313 -14.233 46.205 1.00 0.00 O ATOM 735 CB GLU A 48 72.578 -12.884 43.531 1.00 0.00 C ATOM 736 CG GLU A 48 73.894 -13.121 42.781 1.00 0.00 C ATOM 737 CD GLU A 48 73.585 -13.514 41.332 1.00 0.00 C ATOM 738 OE1 GLU A 48 72.414 -13.643 41.009 1.00 0.00 O ATOM 739 OE2 GLU A 48 74.524 -13.680 40.573 1.00 0.00 O ATOM 0 H GLU A 48 73.905 -10.762 43.822 1.00 0.00 H new ATOM 0 HA GLU A 48 71.898 -12.128 45.416 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.043 -13.827 43.647 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.935 -12.222 42.951 1.00 0.00 H new ATOM 0 HG2 GLU A 48 74.506 -12.220 42.803 1.00 0.00 H new ATOM 0 HG3 GLU A 48 74.468 -13.908 43.269 1.00 0.00 H new ATOM 746 N ALA A 49 74.980 -12.817 45.949 1.00 0.00 N ATOM 747 CA ALA A 49 75.899 -13.660 46.769 1.00 0.00 C ATOM 748 C ALA A 49 75.788 -13.253 48.239 1.00 0.00 C ATOM 749 O ALA A 49 76.265 -13.939 49.121 1.00 0.00 O ATOM 750 CB ALA A 49 77.341 -13.452 46.305 1.00 0.00 C ATOM 0 H ALA A 49 75.392 -11.958 45.586 1.00 0.00 H new ATOM 0 HA ALA A 49 75.623 -14.708 46.652 1.00 0.00 H new ATOM 0 HB1 ALA A 49 78.009 -14.069 46.906 1.00 0.00 H new ATOM 0 HB2 ALA A 49 77.430 -13.736 45.256 1.00 0.00 H new ATOM 0 HB3 ALA A 49 77.613 -12.403 46.422 1.00 0.00 H new ATOM 756 N MET A 50 75.167 -12.139 48.512 1.00 0.00 N ATOM 757 CA MET A 50 75.029 -11.690 49.926 1.00 0.00 C ATOM 758 C MET A 50 73.798 -12.355 50.553 1.00 0.00 C ATOM 759 O MET A 50 72.790 -12.551 49.904 1.00 0.00 O ATOM 760 CB MET A 50 74.874 -10.164 49.962 1.00 0.00 C ATOM 761 CG MET A 50 76.099 -9.513 49.310 1.00 0.00 C ATOM 762 SD MET A 50 77.582 -9.850 50.297 1.00 0.00 S ATOM 763 CE MET A 50 77.357 -8.558 51.546 1.00 0.00 C ATOM 0 H MET A 50 74.749 -11.520 47.817 1.00 0.00 H new ATOM 0 HA MET A 50 75.917 -11.974 50.491 1.00 0.00 H new ATOM 0 HB2 MET A 50 73.967 -9.867 49.436 1.00 0.00 H new ATOM 0 HB3 MET A 50 74.771 -9.822 50.992 1.00 0.00 H new ATOM 0 HG2 MET A 50 76.230 -9.898 48.299 1.00 0.00 H new ATOM 0 HG3 MET A 50 75.946 -8.437 49.224 1.00 0.00 H new ATOM 0 HE1 MET A 50 78.259 -8.477 52.153 1.00 0.00 H new ATOM 0 HE2 MET A 50 77.165 -7.605 51.053 1.00 0.00 H new ATOM 0 HE3 MET A 50 76.511 -8.813 52.185 1.00 0.00 H new ATOM 773 N HIS A 51 73.880 -12.712 51.808 1.00 0.00 N ATOM 774 CA HIS A 51 72.717 -13.367 52.477 1.00 0.00 C ATOM 775 C HIS A 51 72.328 -14.634 51.711 1.00 0.00 C ATOM 776 O HIS A 51 71.165 -14.877 51.451 1.00 0.00 O ATOM 777 CB HIS A 51 71.525 -12.402 52.502 1.00 0.00 C ATOM 778 CG HIS A 51 70.468 -12.906 53.448 1.00 0.00 C ATOM 779 ND1 HIS A 51 69.506 -13.829 53.059 1.00 0.00 N ATOM 780 CD2 HIS A 51 70.185 -12.603 54.760 1.00 0.00 C ATOM 781 CE1 HIS A 51 68.696 -14.045 54.112 1.00 0.00 C ATOM 782 NE2 HIS A 51 69.067 -13.323 55.171 1.00 0.00 N ATOM 0 H HIS A 51 74.701 -12.579 52.398 1.00 0.00 H new ATOM 0 HA HIS A 51 72.993 -13.630 53.498 1.00 0.00 H new ATOM 0 HB2 HIS A 51 71.857 -11.411 52.811 1.00 0.00 H new ATOM 0 HB3 HIS A 51 71.108 -12.301 51.500 1.00 0.00 H new ATOM 0 HD1 HIS A 51 69.427 -14.265 52.140 1.00 0.00 H new ATOM 0 HD2 HIS A 51 70.744 -11.913 55.375 1.00 0.00 H new ATOM 0 HE1 HIS A 51 67.852 -14.718 54.101 1.00 0.00 H new ATOM 790 N GLY A 52 73.283 -15.450 51.349 1.00 0.00 N ATOM 791 CA GLY A 52 72.941 -16.697 50.610 1.00 0.00 C ATOM 792 C GLY A 52 72.205 -17.644 51.560 1.00 0.00 C ATOM 793 O GLY A 52 72.638 -17.879 52.670 1.00 0.00 O ATOM 0 H GLY A 52 74.276 -15.307 51.532 1.00 0.00 H new ATOM 0 HA2 GLY A 52 72.316 -16.466 49.748 1.00 0.00 H new ATOM 0 HA3 GLY A 52 73.846 -17.171 50.230 1.00 0.00 H new ATOM 797 N GLN A 53 71.092 -18.186 51.141 1.00 0.00 N ATOM 798 CA GLN A 53 70.340 -19.113 52.035 1.00 0.00 C ATOM 799 C GLN A 53 70.175 -18.454 53.410 1.00 0.00 C ATOM 800 O GLN A 53 70.176 -17.245 53.526 1.00 0.00 O ATOM 801 CB GLN A 53 71.140 -20.403 52.180 1.00 0.00 C ATOM 802 CG GLN A 53 71.331 -21.035 50.797 1.00 0.00 C ATOM 803 CD GLN A 53 72.138 -22.326 50.934 1.00 0.00 C ATOM 804 OE1 GLN A 53 72.677 -22.608 51.986 1.00 0.00 O ATOM 805 NE2 GLN A 53 72.253 -23.121 49.905 1.00 0.00 N ATOM 0 H GLN A 53 70.674 -18.028 50.224 1.00 0.00 H new ATOM 0 HA GLN A 53 69.358 -19.332 51.617 1.00 0.00 H new ATOM 0 HB2 GLN A 53 72.108 -20.195 52.635 1.00 0.00 H new ATOM 0 HB3 GLN A 53 70.619 -21.096 52.841 1.00 0.00 H new ATOM 0 HG2 GLN A 53 70.362 -21.246 50.345 1.00 0.00 H new ATOM 0 HG3 GLN A 53 71.847 -20.339 50.136 1.00 0.00 H new ATOM 0 HE21 GLN A 53 71.800 -22.882 49.023 1.00 0.00 H new ATOM 0 HE22 GLN A 53 72.796 -23.981 49.983 1.00 0.00 H new ATOM 814 N VAL A 54 70.047 -19.235 54.448 1.00 0.00 N ATOM 815 CA VAL A 54 69.896 -18.642 55.810 1.00 0.00 C ATOM 816 C VAL A 54 68.687 -17.700 55.826 1.00 0.00 C ATOM 817 O VAL A 54 68.179 -17.311 54.793 1.00 0.00 O ATOM 818 CB VAL A 54 71.167 -17.858 56.170 1.00 0.00 C ATOM 819 CG1 VAL A 54 71.201 -17.571 57.674 1.00 0.00 C ATOM 820 CG2 VAL A 54 72.403 -18.683 55.792 1.00 0.00 C ATOM 0 H VAL A 54 70.040 -20.254 54.414 1.00 0.00 H new ATOM 0 HA VAL A 54 69.743 -19.437 56.539 1.00 0.00 H new ATOM 0 HB VAL A 54 71.166 -16.916 55.622 1.00 0.00 H new ATOM 0 HG11 VAL A 54 72.106 -17.015 57.918 1.00 0.00 H new ATOM 0 HG12 VAL A 54 70.327 -16.982 57.952 1.00 0.00 H new ATOM 0 HG13 VAL A 54 71.194 -18.512 58.224 1.00 0.00 H new ATOM 0 HG21 VAL A 54 73.304 -18.126 56.048 1.00 0.00 H new ATOM 0 HG22 VAL A 54 72.392 -19.626 56.338 1.00 0.00 H new ATOM 0 HG23 VAL A 54 72.393 -18.884 54.721 1.00 0.00 H new ATOM 830 N ASP A 55 68.217 -17.330 56.992 1.00 0.00 N ATOM 831 CA ASP A 55 67.040 -16.416 57.078 1.00 0.00 C ATOM 832 C ASP A 55 67.511 -14.964 57.036 1.00 0.00 C ATOM 833 O ASP A 55 66.893 -14.184 56.330 1.00 0.00 O ATOM 834 CB ASP A 55 66.300 -16.667 58.394 1.00 0.00 C ATOM 835 CG ASP A 55 64.970 -15.915 58.380 1.00 0.00 C ATOM 836 OD1 ASP A 55 64.783 -15.107 57.488 1.00 0.00 O ATOM 837 OD2 ASP A 55 64.162 -16.162 59.260 1.00 0.00 O ATOM 838 OXT ASP A 55 68.475 -14.657 57.712 1.00 0.00 O ATOM 0 H ASP A 55 68.601 -17.624 57.890 1.00 0.00 H new ATOM 0 HA ASP A 55 66.374 -16.606 56.236 1.00 0.00 H new ATOM 0 HB2 ASP A 55 66.125 -17.735 58.528 1.00 0.00 H new ATOM 0 HB3 ASP A 55 66.909 -16.336 59.235 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.480 -14.214 21.145 1.00 0.00 N ATOM 845 CA PHE B 1 92.849 -14.090 22.493 1.00 0.00 C ATOM 846 C PHE B 1 92.412 -15.469 22.997 1.00 0.00 C ATOM 847 O PHE B 1 92.896 -15.961 23.997 1.00 0.00 O ATOM 848 CB PHE B 1 91.611 -13.197 22.389 1.00 0.00 C ATOM 849 CG PHE B 1 92.018 -11.756 22.181 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.509 -11.338 20.938 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.890 -10.831 23.228 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.871 -10.001 20.739 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.254 -9.493 23.026 1.00 0.00 C ATOM 854 CZ PHE B 1 92.743 -9.080 21.780 1.00 0.00 C ATOM 0 H1 PHE B 1 93.634 -13.266 20.745 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.392 -14.706 21.233 1.00 0.00 H new ATOM 0 H3 PHE B 1 92.853 -14.757 20.517 1.00 0.00 H new ATOM 0 HA PHE B 1 93.573 -13.659 23.184 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.984 -13.528 21.561 1.00 0.00 H new ATOM 0 HB3 PHE B 1 91.013 -13.286 23.296 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.609 -12.049 20.131 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.512 -11.150 24.188 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.250 -9.682 19.779 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.157 -8.780 23.831 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.021 -8.048 21.625 1.00 0.00 H new ATOM 866 N LEU B 2 91.474 -16.075 22.319 1.00 0.00 N ATOM 867 CA LEU B 2 90.951 -17.402 22.758 1.00 0.00 C ATOM 868 C LEU B 2 92.014 -18.505 22.607 1.00 0.00 C ATOM 869 O LEU B 2 92.045 -19.449 23.372 1.00 0.00 O ATOM 870 CB LEU B 2 89.742 -17.748 21.882 1.00 0.00 C ATOM 871 CG LEU B 2 88.765 -16.558 21.831 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.469 -16.999 21.142 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.444 -16.074 23.250 1.00 0.00 C ATOM 0 H LEU B 2 91.044 -15.704 21.472 1.00 0.00 H new ATOM 0 HA LEU B 2 90.676 -17.344 23.811 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.074 -17.999 20.875 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.235 -18.627 22.279 1.00 0.00 H new ATOM 0 HG LEU B 2 89.226 -15.743 21.274 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.774 -16.160 21.103 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.691 -17.333 20.129 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.019 -17.818 21.703 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.753 -15.233 23.200 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.988 -16.886 23.817 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.363 -15.759 23.744 1.00 0.00 H new ATOM 885 N ASP B 3 92.865 -18.416 21.621 1.00 0.00 N ATOM 886 CA ASP B 3 93.897 -19.483 21.427 1.00 0.00 C ATOM 887 C ASP B 3 94.869 -19.536 22.609 1.00 0.00 C ATOM 888 O ASP B 3 95.055 -20.572 23.222 1.00 0.00 O ATOM 889 CB ASP B 3 94.682 -19.194 20.150 1.00 0.00 C ATOM 890 CG ASP B 3 95.645 -20.349 19.861 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.922 -21.103 20.777 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.089 -20.458 18.728 1.00 0.00 O ATOM 0 H ASP B 3 92.893 -17.655 20.942 1.00 0.00 H new ATOM 0 HA ASP B 3 93.388 -20.444 21.355 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.997 -19.062 19.313 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.238 -18.263 20.257 1.00 0.00 H new ATOM 897 N GLY B 4 95.493 -18.440 22.936 1.00 0.00 N ATOM 898 CA GLY B 4 96.454 -18.450 24.077 1.00 0.00 C ATOM 899 C GLY B 4 95.703 -18.748 25.370 1.00 0.00 C ATOM 900 O GLY B 4 96.154 -19.509 26.202 1.00 0.00 O ATOM 0 H GLY B 4 95.381 -17.541 22.467 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.226 -19.202 23.910 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.958 -17.486 24.150 1.00 0.00 H new ATOM 904 N ILE B 5 94.566 -18.141 25.544 1.00 0.00 N ATOM 905 CA ILE B 5 93.769 -18.377 26.783 1.00 0.00 C ATOM 906 C ILE B 5 93.406 -19.850 26.918 1.00 0.00 C ATOM 907 O ILE B 5 93.403 -20.394 28.002 1.00 0.00 O ATOM 908 CB ILE B 5 92.502 -17.524 26.734 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.912 -16.048 26.824 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.589 -17.879 27.910 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.757 -15.134 26.399 1.00 0.00 C ATOM 0 H ILE B 5 94.150 -17.488 24.880 1.00 0.00 H new ATOM 0 HA ILE B 5 94.367 -18.096 27.650 1.00 0.00 H new ATOM 0 HB ILE B 5 91.962 -17.710 25.806 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.212 -15.811 27.845 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.778 -15.867 26.187 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.688 -17.267 27.869 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.315 -18.933 27.853 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.113 -17.691 28.847 1.00 0.00 H new ATOM 0 HD11 ILE B 5 92.071 -14.093 26.471 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.476 -15.358 25.370 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.901 -15.301 27.053 1.00 0.00 H new ATOM 923 N ASP B 6 93.083 -20.506 25.840 1.00 0.00 N ATOM 924 CA ASP B 6 92.712 -21.934 25.955 1.00 0.00 C ATOM 925 C ASP B 6 93.857 -22.684 26.634 1.00 0.00 C ATOM 926 O ASP B 6 93.649 -23.450 27.554 1.00 0.00 O ATOM 927 CB ASP B 6 92.473 -22.518 24.564 1.00 0.00 C ATOM 928 CG ASP B 6 91.906 -23.931 24.703 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.802 -24.398 25.828 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.572 -24.522 23.688 1.00 0.00 O ATOM 0 H ASP B 6 93.061 -20.118 24.897 1.00 0.00 H new ATOM 0 HA ASP B 6 91.800 -22.033 26.543 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.780 -21.888 24.006 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.406 -22.541 24.001 1.00 0.00 H new ATOM 935 N LYS B 7 95.068 -22.462 26.197 1.00 0.00 N ATOM 936 CA LYS B 7 96.217 -23.161 26.836 1.00 0.00 C ATOM 937 C LYS B 7 96.409 -22.617 28.252 1.00 0.00 C ATOM 938 O LYS B 7 96.679 -23.348 29.183 1.00 0.00 O ATOM 939 CB LYS B 7 97.492 -22.900 26.029 1.00 0.00 C ATOM 940 CG LYS B 7 97.324 -23.413 24.597 1.00 0.00 C ATOM 941 CD LYS B 7 98.676 -23.361 23.883 1.00 0.00 C ATOM 942 CE LYS B 7 98.480 -23.621 22.390 1.00 0.00 C ATOM 943 NZ LYS B 7 97.918 -22.400 21.750 1.00 0.00 N ATOM 0 H LYS B 7 95.309 -21.832 25.432 1.00 0.00 H new ATOM 0 HA LYS B 7 96.016 -24.232 26.868 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.712 -21.832 26.017 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.339 -23.395 26.504 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.943 -24.434 24.606 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.594 -22.805 24.063 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.141 -22.387 24.034 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.351 -24.105 24.306 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.431 -23.884 21.927 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.808 -24.466 22.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.342 -22.275 20.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.887 -22.501 21.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.131 -21.570 22.339 1.00 0.00 H new ATOM 957 N ALA B 8 96.261 -21.331 28.413 1.00 0.00 N ATOM 958 CA ALA B 8 96.426 -20.724 29.765 1.00 0.00 C ATOM 959 C ALA B 8 95.281 -21.179 30.666 1.00 0.00 C ATOM 960 O ALA B 8 95.452 -21.385 31.854 1.00 0.00 O ATOM 961 CB ALA B 8 96.431 -19.196 29.655 1.00 0.00 C ATOM 0 H ALA B 8 96.033 -20.674 27.667 1.00 0.00 H new ATOM 0 HA ALA B 8 97.374 -21.047 30.194 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.552 -18.760 30.647 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.256 -18.880 29.017 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.489 -18.859 29.223 1.00 0.00 H new ATOM 967 N GLN B 9 94.110 -21.334 30.115 1.00 0.00 N ATOM 968 CA GLN B 9 92.957 -21.770 30.941 1.00 0.00 C ATOM 969 C GLN B 9 93.295 -23.115 31.579 1.00 0.00 C ATOM 970 O GLN B 9 93.017 -23.344 32.739 1.00 0.00 O ATOM 971 CB GLN B 9 91.722 -21.908 30.051 1.00 0.00 C ATOM 972 CG GLN B 9 90.475 -22.114 30.917 1.00 0.00 C ATOM 973 CD GLN B 9 89.251 -22.261 30.008 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.334 -22.033 28.817 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.110 -22.638 30.520 1.00 0.00 N ATOM 0 H GLN B 9 93.904 -21.177 29.128 1.00 0.00 H new ATOM 0 HA GLN B 9 92.751 -21.037 31.721 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.605 -21.016 29.436 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.846 -22.750 29.370 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.591 -23.002 31.538 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.342 -21.269 31.592 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.038 -22.830 31.519 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.291 -22.741 29.921 1.00 0.00 H new ATOM 984 N GLU B 10 93.905 -24.003 30.837 1.00 0.00 N ATOM 985 CA GLU B 10 94.273 -25.321 31.427 1.00 0.00 C ATOM 986 C GLU B 10 95.236 -25.101 32.593 1.00 0.00 C ATOM 987 O GLU B 10 95.130 -25.733 33.625 1.00 0.00 O ATOM 988 CB GLU B 10 94.951 -26.191 30.365 1.00 0.00 C ATOM 989 CG GLU B 10 95.160 -27.599 30.923 1.00 0.00 C ATOM 990 CD GLU B 10 95.853 -28.474 29.879 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.118 -27.979 28.797 1.00 0.00 O ATOM 992 OE2 GLU B 10 96.114 -29.626 30.187 1.00 0.00 O ATOM 0 H GLU B 10 94.161 -23.873 29.858 1.00 0.00 H new ATOM 0 HA GLU B 10 93.373 -25.822 31.783 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.337 -26.231 29.465 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.908 -25.755 30.078 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.762 -27.554 31.831 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.200 -28.037 31.198 1.00 0.00 H new ATOM 999 N GLU B 11 96.176 -24.202 32.445 1.00 0.00 N ATOM 1000 CA GLU B 11 97.132 -23.951 33.559 1.00 0.00 C ATOM 1001 C GLU B 11 96.346 -23.490 34.778 1.00 0.00 C ATOM 1002 O GLU B 11 96.629 -23.872 35.896 1.00 0.00 O ATOM 1003 CB GLU B 11 98.141 -22.865 33.145 1.00 0.00 C ATOM 1004 CG GLU B 11 99.193 -22.666 34.246 1.00 0.00 C ATOM 1005 CD GLU B 11 98.615 -21.826 35.387 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.575 -21.224 35.190 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.232 -21.794 36.442 1.00 0.00 O ATOM 0 H GLU B 11 96.320 -23.637 31.608 1.00 0.00 H new ATOM 0 HA GLU B 11 97.679 -24.864 33.794 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.630 -23.149 32.213 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.619 -21.927 32.958 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.518 -23.634 34.627 1.00 0.00 H new ATOM 0 HG3 GLU B 11 100.073 -22.174 33.833 1.00 0.00 H new ATOM 1014 N HIS B 12 95.355 -22.669 34.573 1.00 0.00 N ATOM 1015 CA HIS B 12 94.552 -22.185 35.726 1.00 0.00 C ATOM 1016 C HIS B 12 93.836 -23.356 36.402 1.00 0.00 C ATOM 1017 O HIS B 12 93.811 -23.472 37.608 1.00 0.00 O ATOM 1018 CB HIS B 12 93.506 -21.174 35.261 1.00 0.00 C ATOM 1019 CG HIS B 12 92.812 -20.664 36.484 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.035 -19.381 36.996 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.988 -21.294 37.381 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.361 -19.293 38.163 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.731 -20.426 38.414 1.00 0.00 N ATOM 0 H HIS B 12 95.068 -22.314 33.661 1.00 0.00 H new ATOM 0 HA HIS B 12 95.231 -21.709 36.434 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.977 -20.356 34.716 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.794 -21.642 34.581 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.601 -18.649 36.568 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.606 -22.300 37.291 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.340 -18.421 38.800 1.00 0.00 H new ATOM 1031 N GLU B 13 93.232 -24.214 35.636 1.00 0.00 N ATOM 1032 CA GLU B 13 92.500 -25.361 36.240 1.00 0.00 C ATOM 1033 C GLU B 13 93.460 -26.244 37.041 1.00 0.00 C ATOM 1034 O GLU B 13 93.154 -26.679 38.134 1.00 0.00 O ATOM 1035 CB GLU B 13 91.852 -26.185 35.127 1.00 0.00 C ATOM 1036 CG GLU B 13 90.896 -27.215 35.739 1.00 0.00 C ATOM 1037 CD GLU B 13 90.281 -28.062 34.625 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.604 -27.819 33.475 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.502 -28.945 34.944 1.00 0.00 O ATOM 0 H GLU B 13 93.212 -24.173 34.617 1.00 0.00 H new ATOM 0 HA GLU B 13 91.733 -24.980 36.914 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.309 -25.530 34.445 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.620 -26.690 34.541 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.432 -27.853 36.442 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.111 -26.710 36.302 1.00 0.00 H new ATOM 1046 N LYS B 14 94.602 -26.530 36.487 1.00 0.00 N ATOM 1047 CA LYS B 14 95.590 -27.406 37.179 1.00 0.00 C ATOM 1048 C LYS B 14 96.071 -26.825 38.518 1.00 0.00 C ATOM 1049 O LYS B 14 96.413 -27.569 39.415 1.00 0.00 O ATOM 1050 CB LYS B 14 96.810 -27.605 36.278 1.00 0.00 C ATOM 1051 CG LYS B 14 96.410 -28.372 35.016 1.00 0.00 C ATOM 1052 CD LYS B 14 97.612 -28.441 34.057 1.00 0.00 C ATOM 1053 CE LYS B 14 98.690 -29.397 34.597 1.00 0.00 C ATOM 1054 NZ LYS B 14 98.059 -30.672 35.052 1.00 0.00 N ATOM 0 H LYS B 14 94.899 -26.191 35.572 1.00 0.00 H new ATOM 0 HA LYS B 14 95.084 -28.350 37.384 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.233 -26.638 36.007 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.584 -28.152 36.816 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.081 -29.378 35.277 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.569 -27.878 34.528 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.280 -28.778 33.075 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.036 -27.445 33.926 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.427 -29.603 33.821 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.222 -28.929 35.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.739 -31.452 34.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 97.782 -30.585 36.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.216 -30.868 34.475 1.00 0.00 H new ATOM 1068 N TYR B 15 96.165 -25.519 38.658 1.00 0.00 N ATOM 1069 CA TYR B 15 96.703 -24.944 39.941 1.00 0.00 C ATOM 1070 C TYR B 15 95.907 -23.724 40.427 1.00 0.00 C ATOM 1071 O TYR B 15 96.200 -23.185 41.472 1.00 0.00 O ATOM 1072 CB TYR B 15 98.150 -24.508 39.692 1.00 0.00 C ATOM 1073 CG TYR B 15 98.896 -25.624 39.000 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.475 -26.652 39.753 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.003 -25.637 37.601 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.158 -27.692 39.107 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.684 -26.677 36.955 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.260 -27.704 37.709 1.00 0.00 C ATOM 1079 OH TYR B 15 100.931 -28.728 37.072 1.00 0.00 O ATOM 0 H TYR B 15 95.897 -24.834 37.951 1.00 0.00 H new ATOM 0 HA TYR B 15 96.627 -25.712 40.711 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.170 -23.607 39.079 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.635 -24.262 40.636 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.396 -26.644 40.830 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.559 -24.842 37.020 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.606 -28.485 39.687 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.764 -26.685 35.878 1.00 0.00 H new ATOM 0 HH TYR B 15 100.856 -29.548 37.603 1.00 0.00 H new ATOM 1089 N HIS B 16 94.948 -23.245 39.680 1.00 0.00 N ATOM 1090 CA HIS B 16 94.208 -22.025 40.127 1.00 0.00 C ATOM 1091 C HIS B 16 95.245 -20.943 40.408 1.00 0.00 C ATOM 1092 O HIS B 16 95.188 -20.246 41.403 1.00 0.00 O ATOM 1093 CB HIS B 16 93.384 -22.287 41.399 1.00 0.00 C ATOM 1094 CG HIS B 16 92.201 -23.176 41.110 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.005 -22.715 40.572 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.984 -24.518 41.326 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.135 -23.721 40.481 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.683 -24.859 40.933 1.00 0.00 N ATOM 0 H HIS B 16 94.646 -23.639 38.789 1.00 0.00 H new ATOM 0 HA HIS B 16 93.509 -21.722 39.348 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.016 -22.753 42.155 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.038 -21.340 41.813 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.708 -25.206 41.737 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.129 -23.632 40.097 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.245 -25.779 40.981 1.00 0.00 H new ATOM 1106 N SER B 17 96.210 -20.820 39.540 1.00 0.00 N ATOM 1107 CA SER B 17 97.275 -19.811 39.748 1.00 0.00 C ATOM 1108 C SER B 17 96.694 -18.403 39.664 1.00 0.00 C ATOM 1109 O SER B 17 95.692 -18.171 39.016 1.00 0.00 O ATOM 1110 CB SER B 17 98.345 -19.985 38.677 1.00 0.00 C ATOM 1111 OG SER B 17 97.753 -19.809 37.397 1.00 0.00 O ATOM 0 H SER B 17 96.304 -21.380 38.692 1.00 0.00 H new ATOM 0 HA SER B 17 97.712 -19.952 40.736 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.146 -19.260 38.824 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.794 -20.976 38.751 1.00 0.00 H new ATOM 0 HG SER B 17 98.448 -19.584 36.743 1.00 0.00 H new ATOM 1117 N ASN B 18 97.324 -17.454 40.302 1.00 0.00 N ATOM 1118 CA ASN B 18 96.812 -16.055 40.244 1.00 0.00 C ATOM 1119 C ASN B 18 97.070 -15.487 38.848 1.00 0.00 C ATOM 1120 O ASN B 18 97.918 -15.966 38.122 1.00 0.00 O ATOM 1121 CB ASN B 18 97.526 -15.195 41.286 1.00 0.00 C ATOM 1122 CG ASN B 18 97.206 -15.713 42.686 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.231 -16.415 42.878 1.00 0.00 O ATOM 1124 ND2 ASN B 18 97.985 -15.390 43.685 1.00 0.00 N ATOM 0 H ASN B 18 98.168 -17.586 40.859 1.00 0.00 H new ATOM 0 HA ASN B 18 95.742 -16.050 40.454 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.602 -15.219 41.116 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.211 -14.156 41.191 1.00 0.00 H new ATOM 0 HD21 ASN B 18 97.775 -15.727 44.625 1.00 0.00 H new ATOM 0 HD22 ASN B 18 98.803 -14.802 43.525 1.00 0.00 H new ATOM 1131 N TRP B 19 96.332 -14.484 38.464 1.00 0.00 N ATOM 1132 CA TRP B 19 96.521 -13.895 37.111 1.00 0.00 C ATOM 1133 C TRP B 19 97.964 -13.427 36.922 1.00 0.00 C ATOM 1134 O TRP B 19 98.492 -13.461 35.829 1.00 0.00 O ATOM 1135 CB TRP B 19 95.554 -12.719 36.923 1.00 0.00 C ATOM 1136 CG TRP B 19 95.957 -11.560 37.778 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.451 -11.279 39.000 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.933 -10.519 37.490 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.049 -10.124 39.476 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.969 -9.619 38.581 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.779 -10.271 36.396 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.814 -8.503 38.584 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.631 -9.154 36.394 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.648 -8.272 37.487 1.00 0.00 C ATOM 0 H TRP B 19 95.605 -14.046 39.030 1.00 0.00 H new ATOM 0 HA TRP B 19 96.310 -14.659 36.362 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.540 -12.417 35.876 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.541 -13.030 37.178 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.703 -11.860 39.520 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.835 -9.699 40.378 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.774 -10.944 35.551 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.821 -7.827 39.426 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.276 -8.972 35.547 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.306 -7.415 37.480 1.00 0.00 H new ATOM 1155 N ARG B 20 98.614 -12.997 37.964 1.00 0.00 N ATOM 1156 CA ARG B 20 100.024 -12.543 37.804 1.00 0.00 C ATOM 1157 C ARG B 20 100.867 -13.710 37.307 1.00 0.00 C ATOM 1158 O ARG B 20 101.729 -13.558 36.468 1.00 0.00 O ATOM 1159 CB ARG B 20 100.575 -12.072 39.152 1.00 0.00 C ATOM 1160 CG ARG B 20 99.783 -10.862 39.632 1.00 0.00 C ATOM 1161 CD ARG B 20 100.378 -10.348 40.940 1.00 0.00 C ATOM 1162 NE ARG B 20 99.548 -9.230 41.476 1.00 0.00 N ATOM 1163 CZ ARG B 20 99.669 -8.882 42.727 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.551 -9.479 43.485 1.00 0.00 N ATOM 1165 NH2 ARG B 20 98.921 -7.931 43.218 1.00 0.00 N ATOM 0 H ARG B 20 98.237 -12.940 38.910 1.00 0.00 H new ATOM 0 HA ARG B 20 100.059 -11.720 37.090 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.509 -12.876 39.885 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.630 -11.814 39.055 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.806 -10.077 38.877 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.737 -11.133 39.778 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.427 -11.157 41.669 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.400 -10.006 40.774 1.00 0.00 H new ATOM 0 HE ARG B 20 98.891 -8.741 40.868 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.142 -10.215 43.098 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.648 -9.209 44.464 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.240 -7.459 42.623 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.017 -7.660 44.197 1.00 0.00 H new ATOM 1179 N ALA B 21 100.617 -14.880 37.818 1.00 0.00 N ATOM 1180 CA ALA B 21 101.396 -16.060 37.376 1.00 0.00 C ATOM 1181 C ALA B 21 101.035 -16.380 35.923 1.00 0.00 C ATOM 1182 O ALA B 21 101.894 -16.543 35.085 1.00 0.00 O ATOM 1183 CB ALA B 21 101.060 -17.242 38.292 1.00 0.00 C ATOM 0 H ALA B 21 99.905 -15.068 38.524 1.00 0.00 H new ATOM 0 HA ALA B 21 102.466 -15.860 37.434 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.627 -18.118 37.978 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.320 -16.991 39.320 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.994 -17.459 38.230 1.00 0.00 H new ATOM 1189 N MET B 22 99.772 -16.460 35.613 1.00 0.00 N ATOM 1190 CA MET B 22 99.386 -16.756 34.204 1.00 0.00 C ATOM 1191 C MET B 22 99.922 -15.653 33.298 1.00 0.00 C ATOM 1192 O MET B 22 100.412 -15.901 32.214 1.00 0.00 O ATOM 1193 CB MET B 22 97.866 -16.814 34.078 1.00 0.00 C ATOM 1194 CG MET B 22 97.338 -18.042 34.814 1.00 0.00 C ATOM 1195 SD MET B 22 95.578 -18.249 34.457 1.00 0.00 S ATOM 1196 CE MET B 22 94.970 -16.837 35.410 1.00 0.00 C ATOM 0 H MET B 22 98.997 -16.335 36.265 1.00 0.00 H new ATOM 0 HA MET B 22 99.806 -17.719 33.912 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.422 -15.910 34.494 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.579 -16.856 33.027 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.890 -18.930 34.504 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.491 -17.930 35.887 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.899 -16.946 35.578 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.486 -16.796 36.369 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.159 -15.917 34.857 1.00 0.00 H new ATOM 1206 N ALA B 23 99.839 -14.430 33.740 1.00 0.00 N ATOM 1207 CA ALA B 23 100.348 -13.313 32.901 1.00 0.00 C ATOM 1208 C ALA B 23 101.826 -13.548 32.589 1.00 0.00 C ATOM 1209 O ALA B 23 102.256 -13.429 31.459 1.00 0.00 O ATOM 1210 CB ALA B 23 100.187 -11.988 33.657 1.00 0.00 C ATOM 0 H ALA B 23 99.443 -14.157 34.640 1.00 0.00 H new ATOM 0 HA ALA B 23 99.782 -13.268 31.971 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.560 -11.170 33.041 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.133 -11.822 33.880 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.753 -12.029 34.588 1.00 0.00 H new ATOM 1216 N SER B 24 102.607 -13.879 33.580 1.00 0.00 N ATOM 1217 CA SER B 24 104.057 -14.119 33.335 1.00 0.00 C ATOM 1218 C SER B 24 104.253 -15.414 32.542 1.00 0.00 C ATOM 1219 O SER B 24 105.147 -15.526 31.726 1.00 0.00 O ATOM 1220 CB SER B 24 104.803 -14.226 34.664 1.00 0.00 C ATOM 1221 OG SER B 24 104.592 -13.041 35.421 1.00 0.00 O ATOM 0 H SER B 24 102.305 -13.994 34.547 1.00 0.00 H new ATOM 0 HA SER B 24 104.453 -13.281 32.762 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.452 -15.094 35.222 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.868 -14.371 34.485 1.00 0.00 H new ATOM 0 HG SER B 24 103.692 -13.057 35.809 1.00 0.00 H new ATOM 1227 N ASP B 25 103.439 -16.406 32.790 1.00 0.00 N ATOM 1228 CA ASP B 25 103.606 -17.698 32.063 1.00 0.00 C ATOM 1229 C ASP B 25 103.445 -17.488 30.556 1.00 0.00 C ATOM 1230 O ASP B 25 104.180 -18.040 29.761 1.00 0.00 O ATOM 1231 CB ASP B 25 102.555 -18.701 32.544 1.00 0.00 C ATOM 1232 CG ASP B 25 102.764 -20.036 31.820 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.587 -20.079 30.919 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.094 -20.991 32.174 1.00 0.00 O ATOM 0 H ASP B 25 102.671 -16.378 33.460 1.00 0.00 H new ATOM 0 HA ASP B 25 104.606 -18.083 32.266 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.636 -18.842 33.622 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.553 -18.319 32.346 1.00 0.00 H new ATOM 1239 N PHE B 26 102.481 -16.703 30.157 1.00 0.00 N ATOM 1240 CA PHE B 26 102.250 -16.452 28.695 1.00 0.00 C ATOM 1241 C PHE B 26 102.644 -15.017 28.338 1.00 0.00 C ATOM 1242 O PHE B 26 102.518 -14.593 27.206 1.00 0.00 O ATOM 1243 CB PHE B 26 100.771 -16.663 28.392 1.00 0.00 C ATOM 1244 CG PHE B 26 100.426 -18.108 28.636 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.553 -19.038 27.601 1.00 0.00 C ATOM 1246 CD2 PHE B 26 99.988 -18.518 29.899 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.242 -20.384 27.828 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.676 -19.862 30.127 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.802 -20.796 29.092 1.00 0.00 C ATOM 0 H PHE B 26 101.836 -16.219 30.782 1.00 0.00 H new ATOM 0 HA PHE B 26 102.858 -17.139 28.106 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.161 -16.018 29.024 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.555 -16.393 27.358 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.891 -18.719 26.626 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.891 -17.797 30.698 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.341 -21.104 27.029 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.338 -20.180 31.102 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.560 -21.834 29.268 1.00 0.00 H new ATOM 1259 N ASN B 27 103.121 -14.270 29.292 1.00 0.00 N ATOM 1260 CA ASN B 27 103.524 -12.867 29.016 1.00 0.00 C ATOM 1261 C ASN B 27 102.348 -12.105 28.393 1.00 0.00 C ATOM 1262 O ASN B 27 102.497 -11.451 27.380 1.00 0.00 O ATOM 1263 CB ASN B 27 104.721 -12.847 28.054 1.00 0.00 C ATOM 1264 CG ASN B 27 105.892 -13.617 28.674 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.939 -13.815 29.874 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.844 -14.067 27.898 1.00 0.00 N ATOM 0 H ASN B 27 103.249 -14.574 30.257 1.00 0.00 H new ATOM 0 HA ASN B 27 103.810 -12.387 29.952 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.442 -13.296 27.101 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.017 -11.819 27.848 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.627 -14.584 28.298 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.804 -13.901 26.892 1.00 0.00 H new ATOM 1273 N LEU B 28 101.181 -12.184 29.000 1.00 0.00 N ATOM 1274 CA LEU B 28 99.978 -11.465 28.461 1.00 0.00 C ATOM 1275 C LEU B 28 99.563 -10.377 29.460 1.00 0.00 C ATOM 1276 O LEU B 28 99.812 -10.501 30.644 1.00 0.00 O ATOM 1277 CB LEU B 28 98.834 -12.479 28.293 1.00 0.00 C ATOM 1278 CG LEU B 28 99.180 -13.480 27.176 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.217 -14.672 27.236 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.080 -12.803 25.789 1.00 0.00 C ATOM 0 H LEU B 28 101.011 -12.720 29.851 1.00 0.00 H new ATOM 0 HA LEU B 28 100.206 -11.007 27.499 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.667 -13.010 29.230 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.907 -11.958 28.052 1.00 0.00 H new ATOM 0 HG LEU B 28 100.203 -13.827 27.323 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.464 -15.379 26.444 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.308 -15.165 28.204 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.194 -14.320 27.102 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.328 -13.526 25.012 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.064 -12.439 25.634 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.777 -11.966 25.741 1.00 0.00 H new ATOM 1292 N PRO B 29 98.938 -9.311 29.001 1.00 0.00 N ATOM 1293 CA PRO B 29 98.499 -8.200 29.904 1.00 0.00 C ATOM 1294 C PRO B 29 97.482 -8.689 30.963 1.00 0.00 C ATOM 1295 O PRO B 29 96.676 -9.555 30.691 1.00 0.00 O ATOM 1296 CB PRO B 29 97.855 -7.176 28.944 1.00 0.00 C ATOM 1297 CG PRO B 29 97.524 -7.944 27.705 1.00 0.00 C ATOM 1298 CD PRO B 29 98.583 -9.037 27.594 1.00 0.00 C ATOM 0 HA PRO B 29 99.327 -7.782 30.477 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.960 -6.735 29.383 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.540 -6.357 28.727 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.524 -8.374 27.767 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.538 -7.296 26.829 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.193 -9.926 27.097 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.447 -8.703 27.019 1.00 0.00 H new ATOM 1306 N PRO B 30 97.520 -8.150 32.162 1.00 0.00 N ATOM 1307 CA PRO B 30 96.591 -8.565 33.252 1.00 0.00 C ATOM 1308 C PRO B 30 95.168 -8.806 32.747 1.00 0.00 C ATOM 1309 O PRO B 30 94.456 -9.650 33.245 1.00 0.00 O ATOM 1310 CB PRO B 30 96.613 -7.387 34.238 1.00 0.00 C ATOM 1311 CG PRO B 30 97.899 -6.646 33.981 1.00 0.00 C ATOM 1312 CD PRO B 30 98.438 -7.090 32.608 1.00 0.00 C ATOM 0 HA PRO B 30 96.903 -9.509 33.698 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.752 -6.736 34.086 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.567 -7.741 35.268 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.728 -5.570 33.993 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.626 -6.862 34.764 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.453 -6.259 31.903 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.460 -7.461 32.686 1.00 0.00 H new ATOM 1320 N VAL B 31 94.744 -8.048 31.782 1.00 0.00 N ATOM 1321 CA VAL B 31 93.354 -8.211 31.268 1.00 0.00 C ATOM 1322 C VAL B 31 93.119 -9.647 30.827 1.00 0.00 C ATOM 1323 O VAL B 31 92.133 -10.258 31.190 1.00 0.00 O ATOM 1324 CB VAL B 31 93.156 -7.275 30.070 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.738 -7.420 29.476 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.367 -5.833 30.539 1.00 0.00 C ATOM 0 H VAL B 31 95.296 -7.322 31.324 1.00 0.00 H new ATOM 0 HA VAL B 31 92.647 -7.966 32.060 1.00 0.00 H new ATOM 0 HB VAL B 31 93.875 -7.537 29.294 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.628 -6.744 28.628 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.586 -8.447 29.143 1.00 0.00 H new ATOM 0 HG13 VAL B 31 90.998 -7.172 30.237 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.230 -5.153 29.698 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.645 -5.595 31.320 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.377 -5.723 30.933 1.00 0.00 H new ATOM 1336 N VAL B 32 93.986 -10.193 30.040 1.00 0.00 N ATOM 1337 CA VAL B 32 93.756 -11.587 29.590 1.00 0.00 C ATOM 1338 C VAL B 32 93.852 -12.530 30.783 1.00 0.00 C ATOM 1339 O VAL B 32 93.011 -13.385 30.985 1.00 0.00 O ATOM 1340 CB VAL B 32 94.797 -11.973 28.547 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.516 -13.399 28.059 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.725 -10.997 27.366 1.00 0.00 C ATOM 0 H VAL B 32 94.834 -9.746 29.690 1.00 0.00 H new ATOM 0 HA VAL B 32 92.763 -11.662 29.147 1.00 0.00 H new ATOM 0 HB VAL B 32 95.793 -11.929 28.987 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.258 -13.681 27.312 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.569 -14.089 28.901 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.521 -13.443 27.616 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.470 -11.273 26.620 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.731 -11.039 26.920 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.922 -9.985 27.718 1.00 0.00 H new ATOM 1352 N ALA B 33 94.878 -12.384 31.574 1.00 0.00 N ATOM 1353 CA ALA B 33 95.037 -13.274 32.756 1.00 0.00 C ATOM 1354 C ALA B 33 93.925 -13.001 33.779 1.00 0.00 C ATOM 1355 O ALA B 33 93.324 -13.910 34.322 1.00 0.00 O ATOM 1356 CB ALA B 33 96.402 -13.024 33.390 1.00 0.00 C ATOM 0 H ALA B 33 95.613 -11.687 31.453 1.00 0.00 H new ATOM 0 HA ALA B 33 94.967 -14.314 32.438 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.525 -13.673 34.257 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.185 -13.237 32.663 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.472 -11.983 33.704 1.00 0.00 H new ATOM 1362 N LYS B 34 93.644 -11.752 34.047 1.00 0.00 N ATOM 1363 CA LYS B 34 92.573 -11.425 35.029 1.00 0.00 C ATOM 1364 C LYS B 34 91.241 -12.004 34.552 1.00 0.00 C ATOM 1365 O LYS B 34 90.430 -12.451 35.337 1.00 0.00 O ATOM 1366 CB LYS B 34 92.441 -9.902 35.159 1.00 0.00 C ATOM 1367 CG LYS B 34 93.715 -9.298 35.811 1.00 0.00 C ATOM 1368 CD LYS B 34 93.517 -9.099 37.332 1.00 0.00 C ATOM 1369 CE LYS B 34 92.923 -7.711 37.606 1.00 0.00 C ATOM 1370 NZ LYS B 34 91.726 -7.498 36.743 1.00 0.00 N ATOM 0 H LYS B 34 94.110 -10.947 33.628 1.00 0.00 H new ATOM 0 HA LYS B 34 92.833 -11.855 35.996 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.284 -9.460 34.175 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.566 -9.657 35.761 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.566 -9.956 35.634 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.949 -8.342 35.343 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.855 -9.871 37.725 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.471 -9.204 37.848 1.00 0.00 H new ATOM 0 HE2 LYS B 34 92.646 -7.624 38.657 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.668 -6.940 37.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 91.247 -6.619 37.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.023 -7.428 35.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 91.072 -8.299 36.853 1.00 0.00 H new ATOM 1384 N GLU B 35 90.995 -11.981 33.266 1.00 0.00 N ATOM 1385 CA GLU B 35 89.700 -12.510 32.748 1.00 0.00 C ATOM 1386 C GLU B 35 89.556 -13.990 33.091 1.00 0.00 C ATOM 1387 O GLU B 35 88.486 -14.444 33.439 1.00 0.00 O ATOM 1388 CB GLU B 35 89.635 -12.325 31.231 1.00 0.00 C ATOM 1389 CG GLU B 35 88.211 -12.603 30.735 1.00 0.00 C ATOM 1390 CD GLU B 35 87.955 -14.113 30.707 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.918 -14.862 30.670 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.796 -14.491 30.720 1.00 0.00 O ATOM 0 H GLU B 35 91.633 -11.620 32.557 1.00 0.00 H new ATOM 0 HA GLU B 35 88.884 -11.959 33.216 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.931 -11.310 30.966 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.338 -12.999 30.743 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.487 -12.115 31.388 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.075 -12.184 29.738 1.00 0.00 H new ATOM 1399 N ILE B 36 90.615 -14.753 32.994 1.00 0.00 N ATOM 1400 CA ILE B 36 90.510 -16.206 33.318 1.00 0.00 C ATOM 1401 C ILE B 36 90.051 -16.344 34.768 1.00 0.00 C ATOM 1402 O ILE B 36 89.242 -17.190 35.095 1.00 0.00 O ATOM 1403 CB ILE B 36 91.872 -16.884 33.121 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.314 -16.697 31.665 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.750 -18.385 33.434 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.650 -17.407 31.430 1.00 0.00 C ATOM 0 H ILE B 36 91.541 -14.435 32.707 1.00 0.00 H new ATOM 0 HA ILE B 36 89.790 -16.689 32.657 1.00 0.00 H new ATOM 0 HB ILE B 36 92.607 -16.438 33.790 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.556 -17.097 30.992 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.412 -15.635 31.439 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.718 -18.866 33.294 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.426 -18.516 34.466 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.019 -18.838 32.764 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.958 -17.270 30.393 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.407 -16.986 32.092 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.538 -18.471 31.637 1.00 0.00 H new ATOM 1418 N VAL B 37 90.552 -15.513 35.638 1.00 0.00 N ATOM 1419 CA VAL B 37 90.132 -15.589 37.066 1.00 0.00 C ATOM 1420 C VAL B 37 88.634 -15.295 37.133 1.00 0.00 C ATOM 1421 O VAL B 37 87.890 -15.911 37.872 1.00 0.00 O ATOM 1422 CB VAL B 37 90.904 -14.543 37.873 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.493 -14.606 39.346 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.400 -14.817 37.753 1.00 0.00 C ATOM 0 H VAL B 37 91.233 -14.785 35.423 1.00 0.00 H new ATOM 0 HA VAL B 37 90.339 -16.577 37.478 1.00 0.00 H new ATOM 0 HB VAL B 37 90.676 -13.551 37.482 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.048 -13.857 39.911 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.425 -14.408 39.434 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.713 -15.597 39.743 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.953 -14.074 38.327 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.620 -15.812 38.141 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.697 -14.762 36.706 1.00 0.00 H new ATOM 1434 N ALA B 38 88.192 -14.357 36.345 1.00 0.00 N ATOM 1435 CA ALA B 38 86.749 -14.008 36.322 1.00 0.00 C ATOM 1436 C ALA B 38 85.919 -15.225 35.900 1.00 0.00 C ATOM 1437 O ALA B 38 84.794 -15.395 36.320 1.00 0.00 O ATOM 1438 CB ALA B 38 86.529 -12.866 35.325 1.00 0.00 C ATOM 0 H ALA B 38 88.776 -13.813 35.710 1.00 0.00 H new ATOM 0 HA ALA B 38 86.435 -13.697 37.319 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.472 -12.603 35.301 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.112 -11.998 35.632 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.846 -13.184 34.332 1.00 0.00 H new ATOM 1444 N SER B 39 86.460 -16.070 35.067 1.00 0.00 N ATOM 1445 CA SER B 39 85.696 -17.271 34.612 1.00 0.00 C ATOM 1446 C SER B 39 85.730 -18.343 35.696 1.00 0.00 C ATOM 1447 O SER B 39 84.846 -19.174 35.789 1.00 0.00 O ATOM 1448 CB SER B 39 86.330 -17.827 33.341 1.00 0.00 C ATOM 1449 OG SER B 39 86.371 -16.812 32.350 1.00 0.00 O ATOM 0 H SER B 39 87.400 -15.983 34.680 1.00 0.00 H new ATOM 0 HA SER B 39 84.663 -16.984 34.414 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.338 -18.186 33.551 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.757 -18.681 32.979 1.00 0.00 H new ATOM 0 HG SER B 39 86.780 -17.168 31.534 1.00 0.00 H new ATOM 1455 N CYS B 40 86.746 -18.334 36.518 1.00 0.00 N ATOM 1456 CA CYS B 40 86.841 -19.354 37.600 1.00 0.00 C ATOM 1457 C CYS B 40 85.970 -18.927 38.782 1.00 0.00 C ATOM 1458 O CYS B 40 86.321 -18.053 39.551 1.00 0.00 O ATOM 1459 CB CYS B 40 88.291 -19.479 38.049 1.00 0.00 C ATOM 1460 SG CYS B 40 88.399 -20.671 39.405 1.00 0.00 S ATOM 0 H CYS B 40 87.514 -17.663 36.486 1.00 0.00 H new ATOM 0 HA CYS B 40 86.493 -20.317 37.227 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.915 -19.802 37.216 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.668 -18.509 38.372 1.00 0.00 H new ATOM 1465 N ASP B 41 84.833 -19.539 38.929 1.00 0.00 N ATOM 1466 CA ASP B 41 83.929 -19.179 40.053 1.00 0.00 C ATOM 1467 C ASP B 41 84.631 -19.415 41.397 1.00 0.00 C ATOM 1468 O ASP B 41 84.368 -18.742 42.375 1.00 0.00 O ATOM 1469 CB ASP B 41 82.668 -20.044 39.982 1.00 0.00 C ATOM 1470 CG ASP B 41 81.832 -19.631 38.778 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.029 -18.530 38.295 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.012 -20.428 38.354 1.00 0.00 O ATOM 0 H ASP B 41 84.488 -20.278 38.316 1.00 0.00 H new ATOM 0 HA ASP B 41 83.664 -18.125 39.972 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.941 -21.096 39.904 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.086 -19.932 40.897 1.00 0.00 H new ATOM 1477 N LYS B 42 85.508 -20.383 41.464 1.00 0.00 N ATOM 1478 CA LYS B 42 86.195 -20.670 42.757 1.00 0.00 C ATOM 1479 C LYS B 42 87.175 -19.552 43.123 1.00 0.00 C ATOM 1480 O LYS B 42 87.268 -19.159 44.269 1.00 0.00 O ATOM 1481 CB LYS B 42 86.958 -21.988 42.634 1.00 0.00 C ATOM 1482 CG LYS B 42 85.971 -23.121 42.365 1.00 0.00 C ATOM 1483 CD LYS B 42 86.718 -24.457 42.367 1.00 0.00 C ATOM 1484 CE LYS B 42 85.742 -25.581 42.008 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.847 -25.845 43.168 1.00 0.00 N ATOM 0 H LYS B 42 85.776 -20.983 40.684 1.00 0.00 H new ATOM 0 HA LYS B 42 85.442 -20.736 43.542 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.686 -21.925 41.825 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.515 -22.186 43.550 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.191 -23.127 43.126 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.478 -22.969 41.405 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.539 -24.429 41.650 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.157 -24.640 43.348 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.152 -25.301 41.135 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.291 -26.485 41.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.288 -26.703 42.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.420 -25.980 44.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.206 -25.037 43.303 1.00 0.00 H new ATOM 1499 N CYS B 43 87.906 -19.032 42.177 1.00 0.00 N ATOM 1500 CA CYS B 43 88.873 -17.936 42.505 1.00 0.00 C ATOM 1501 C CYS B 43 88.148 -16.591 42.511 1.00 0.00 C ATOM 1502 O CYS B 43 88.557 -15.662 43.181 1.00 0.00 O ATOM 1503 CB CYS B 43 89.993 -17.910 41.464 1.00 0.00 C ATOM 1504 SG CYS B 43 91.068 -19.350 41.697 1.00 0.00 S ATOM 0 H CYS B 43 87.880 -19.313 41.197 1.00 0.00 H new ATOM 0 HA CYS B 43 89.300 -18.118 43.491 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.570 -17.917 40.459 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.572 -16.991 41.560 1.00 0.00 H new ATOM 1509 N GLN B 44 87.069 -16.477 41.787 1.00 0.00 N ATOM 1510 CA GLN B 44 86.319 -15.188 41.775 1.00 0.00 C ATOM 1511 C GLN B 44 85.572 -15.082 43.099 1.00 0.00 C ATOM 1512 O GLN B 44 85.953 -14.343 43.986 1.00 0.00 O ATOM 1513 CB GLN B 44 85.311 -15.180 40.624 1.00 0.00 C ATOM 1514 CG GLN B 44 84.696 -13.783 40.490 1.00 0.00 C ATOM 1515 CD GLN B 44 83.593 -13.808 39.438 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.858 -14.269 38.249 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.477 -13.411 39.698 1.00 0.00 N flip ATOM 0 H GLN B 44 86.675 -17.216 41.205 1.00 0.00 H new ATOM 0 HA GLN B 44 87.004 -14.351 41.643 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.804 -15.462 39.694 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.529 -15.917 40.807 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.291 -13.460 41.449 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.464 -13.062 40.209 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.268 -13.050 40.629 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.747 -13.438 38.986 1.00 0.00 H new ATOM 1526 N LEU B 45 84.531 -15.847 43.257 1.00 0.00 N ATOM 1527 CA LEU B 45 83.793 -15.825 44.544 1.00 0.00 C ATOM 1528 C LEU B 45 84.534 -16.752 45.504 1.00 0.00 C ATOM 1529 O LEU B 45 84.504 -17.959 45.365 1.00 0.00 O ATOM 1530 CB LEU B 45 82.370 -16.344 44.345 1.00 0.00 C ATOM 1531 CG LEU B 45 81.696 -15.589 43.194 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.238 -16.050 43.073 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.740 -14.078 43.463 1.00 0.00 C ATOM 0 H LEU B 45 84.161 -16.484 42.552 1.00 0.00 H new ATOM 0 HA LEU B 45 83.739 -14.808 44.934 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.390 -17.412 44.129 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.795 -16.215 45.262 1.00 0.00 H new ATOM 0 HG LEU B 45 82.225 -15.799 42.264 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.754 -15.516 42.255 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.210 -17.121 42.873 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.712 -15.841 44.005 1.00 0.00 H new ATOM 0 HD21 LEU B 45 81.259 -13.548 42.641 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.215 -13.858 44.393 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.777 -13.753 43.547 1.00 0.00 H new ATOM 1545 N LYS B 46 85.208 -16.202 46.467 1.00 0.00 N ATOM 1546 CA LYS B 46 85.963 -17.053 47.431 1.00 0.00 C ATOM 1547 C LYS B 46 85.045 -17.457 48.580 1.00 0.00 C ATOM 1548 O LYS B 46 85.444 -18.156 49.490 1.00 0.00 O ATOM 1549 CB LYS B 46 87.160 -16.273 47.972 1.00 0.00 C ATOM 1550 CG LYS B 46 88.082 -15.900 46.818 1.00 0.00 C ATOM 1551 CD LYS B 46 89.317 -15.182 47.363 1.00 0.00 C ATOM 1552 CE LYS B 46 90.213 -14.776 46.197 1.00 0.00 C ATOM 1553 NZ LYS B 46 89.491 -13.792 45.342 1.00 0.00 N ATOM 0 H LYS B 46 85.272 -15.198 46.633 1.00 0.00 H new ATOM 0 HA LYS B 46 86.320 -17.950 46.925 1.00 0.00 H new ATOM 0 HB2 LYS B 46 86.820 -15.374 48.486 1.00 0.00 H new ATOM 0 HB3 LYS B 46 87.700 -16.874 48.704 1.00 0.00 H new ATOM 0 HG2 LYS B 46 88.380 -16.796 46.273 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.556 -15.257 46.112 1.00 0.00 H new ATOM 0 HD2 LYS B 46 89.019 -14.302 47.933 1.00 0.00 H new ATOM 0 HD3 LYS B 46 89.861 -15.835 48.046 1.00 0.00 H new ATOM 0 HE2 LYS B 46 91.140 -14.340 46.570 1.00 0.00 H new ATOM 0 HE3 LYS B 46 90.486 -15.653 45.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 90.156 -13.061 45.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.083 -14.280 44.519 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.730 -13.346 45.893 1.00 0.00 H new ATOM 1567 N GLY B 47 83.812 -17.026 48.540 1.00 0.00 N ATOM 1568 CA GLY B 47 82.850 -17.383 49.618 1.00 0.00 C ATOM 1569 C GLY B 47 82.781 -16.248 50.642 1.00 0.00 C ATOM 1570 O GLY B 47 81.990 -16.281 51.565 1.00 0.00 O ATOM 0 H GLY B 47 83.429 -16.437 47.800 1.00 0.00 H new ATOM 0 HA2 GLY B 47 81.863 -17.563 49.193 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.161 -18.307 50.105 1.00 0.00 H new ATOM 1574 N GLU B 48 83.591 -15.233 50.487 1.00 0.00 N ATOM 1575 CA GLU B 48 83.537 -14.104 51.458 1.00 0.00 C ATOM 1576 C GLU B 48 82.256 -13.301 51.209 1.00 0.00 C ATOM 1577 O GLU B 48 81.853 -12.487 52.018 1.00 0.00 O ATOM 1578 CB GLU B 48 84.764 -13.202 51.278 1.00 0.00 C ATOM 1579 CG GLU B 48 84.806 -12.652 49.851 1.00 0.00 C ATOM 1580 CD GLU B 48 86.162 -11.969 49.608 1.00 0.00 C ATOM 1581 OE1 GLU B 48 86.977 -11.968 50.518 1.00 0.00 O ATOM 1582 OE2 GLU B 48 86.358 -11.457 48.518 1.00 0.00 O ATOM 0 H GLU B 48 84.279 -15.138 49.740 1.00 0.00 H new ATOM 0 HA GLU B 48 83.537 -14.492 52.477 1.00 0.00 H new ATOM 0 HB2 GLU B 48 84.729 -12.379 51.992 1.00 0.00 H new ATOM 0 HB3 GLU B 48 85.673 -13.766 51.486 1.00 0.00 H new ATOM 0 HG2 GLU B 48 84.659 -13.459 49.134 1.00 0.00 H new ATOM 0 HG3 GLU B 48 83.995 -11.940 49.700 1.00 0.00 H new ATOM 1589 N ALA B 49 81.605 -13.540 50.096 1.00 0.00 N ATOM 1590 CA ALA B 49 80.340 -12.806 49.784 1.00 0.00 C ATOM 1591 C ALA B 49 79.150 -13.574 50.354 1.00 0.00 C ATOM 1592 O ALA B 49 78.042 -13.076 50.411 1.00 0.00 O ATOM 1593 CB ALA B 49 80.175 -12.690 48.272 1.00 0.00 C ATOM 0 H ALA B 49 81.897 -14.214 49.389 1.00 0.00 H new ATOM 0 HA ALA B 49 80.385 -11.811 50.227 1.00 0.00 H new ATOM 0 HB1 ALA B 49 79.253 -12.155 48.047 1.00 0.00 H new ATOM 0 HB2 ALA B 49 81.022 -12.145 47.854 1.00 0.00 H new ATOM 0 HB3 ALA B 49 80.133 -13.687 47.833 1.00 0.00 H new ATOM 1599 N MET B 50 79.361 -14.789 50.770 1.00 0.00 N ATOM 1600 CA MET B 50 78.232 -15.586 51.331 1.00 0.00 C ATOM 1601 C MET B 50 78.096 -15.268 52.821 1.00 0.00 C ATOM 1602 O MET B 50 79.072 -15.050 53.506 1.00 0.00 O ATOM 1603 CB MET B 50 78.523 -17.080 51.141 1.00 0.00 C ATOM 1604 CG MET B 50 78.682 -17.386 49.645 1.00 0.00 C ATOM 1605 SD MET B 50 77.111 -17.102 48.784 1.00 0.00 S ATOM 1606 CE MET B 50 76.300 -18.668 49.209 1.00 0.00 C ATOM 0 H MET B 50 80.262 -15.266 50.747 1.00 0.00 H new ATOM 0 HA MET B 50 77.304 -15.335 50.818 1.00 0.00 H new ATOM 0 HB2 MET B 50 79.431 -17.355 51.678 1.00 0.00 H new ATOM 0 HB3 MET B 50 77.712 -17.675 51.560 1.00 0.00 H new ATOM 0 HG2 MET B 50 79.460 -16.754 49.217 1.00 0.00 H new ATOM 0 HG3 MET B 50 78.999 -18.420 49.508 1.00 0.00 H new ATOM 0 HE1 MET B 50 75.393 -18.781 48.615 1.00 0.00 H new ATOM 0 HE2 MET B 50 76.976 -19.497 49.000 1.00 0.00 H new ATOM 0 HE3 MET B 50 76.042 -18.669 50.268 1.00 0.00 H new ATOM 1616 N HIS B 51 76.892 -15.228 53.326 1.00 0.00 N ATOM 1617 CA HIS B 51 76.700 -14.918 54.772 1.00 0.00 C ATOM 1618 C HIS B 51 77.338 -13.563 55.098 1.00 0.00 C ATOM 1619 O HIS B 51 78.031 -13.415 56.084 1.00 0.00 O ATOM 1620 CB HIS B 51 77.360 -16.011 55.625 1.00 0.00 C ATOM 1621 CG HIS B 51 76.889 -15.902 57.049 1.00 0.00 C ATOM 1622 ND1 HIS B 51 77.471 -15.029 57.955 1.00 0.00 N ATOM 1623 CD2 HIS B 51 75.901 -16.558 57.746 1.00 0.00 C ATOM 1624 CE1 HIS B 51 76.838 -15.185 59.135 1.00 0.00 C ATOM 1625 NE2 HIS B 51 75.876 -16.104 59.057 1.00 0.00 N ATOM 0 H HIS B 51 76.034 -15.396 52.800 1.00 0.00 H new ATOM 0 HA HIS B 51 75.633 -14.879 54.992 1.00 0.00 H new ATOM 0 HB2 HIS B 51 77.114 -16.995 55.225 1.00 0.00 H new ATOM 0 HB3 HIS B 51 78.445 -15.912 55.583 1.00 0.00 H new ATOM 0 HD1 HIS B 51 78.239 -14.385 57.764 1.00 0.00 H new ATOM 0 HD2 HIS B 51 75.245 -17.311 57.336 1.00 0.00 H new ATOM 0 HE1 HIS B 51 77.080 -14.634 60.032 1.00 0.00 H new ATOM 0 HE2 HIS B 51 75.252 -16.409 59.804 1.00 0.00 H new ATOM 1633 N GLY B 52 77.102 -12.564 54.293 1.00 0.00 N ATOM 1634 CA GLY B 52 77.696 -11.233 54.592 1.00 0.00 C ATOM 1635 C GLY B 52 77.025 -10.667 55.841 1.00 0.00 C ATOM 1636 O GLY B 52 75.819 -10.670 55.958 1.00 0.00 O ATOM 0 H GLY B 52 76.530 -12.611 53.450 1.00 0.00 H new ATOM 0 HA2 GLY B 52 78.771 -11.326 54.749 1.00 0.00 H new ATOM 0 HA3 GLY B 52 77.554 -10.558 53.748 1.00 0.00 H new ATOM 1640 N GLN B 53 77.788 -10.183 56.779 1.00 0.00 N ATOM 1641 CA GLN B 53 77.173 -9.621 58.018 1.00 0.00 C ATOM 1642 C GLN B 53 76.135 -10.612 58.557 1.00 0.00 C ATOM 1643 O GLN B 53 76.223 -11.801 58.325 1.00 0.00 O ATOM 1644 CB GLN B 53 76.493 -8.295 57.675 1.00 0.00 C ATOM 1645 CG GLN B 53 77.534 -7.330 57.108 1.00 0.00 C ATOM 1646 CD GLN B 53 76.859 -6.007 56.747 1.00 0.00 C ATOM 1647 OE1 GLN B 53 75.646 -5.919 56.728 1.00 0.00 O ATOM 1648 NE2 GLN B 53 77.599 -4.970 56.457 1.00 0.00 N ATOM 0 H GLN B 53 78.807 -10.151 56.745 1.00 0.00 H new ATOM 0 HA GLN B 53 77.938 -9.453 58.776 1.00 0.00 H new ATOM 0 HB2 GLN B 53 75.697 -8.458 56.949 1.00 0.00 H new ATOM 0 HB3 GLN B 53 76.031 -7.868 58.565 1.00 0.00 H new ATOM 0 HG2 GLN B 53 78.324 -7.160 57.839 1.00 0.00 H new ATOM 0 HG3 GLN B 53 78.005 -7.763 56.225 1.00 0.00 H new ATOM 0 HE21 GLN B 53 78.616 -5.048 56.474 1.00 0.00 H new ATOM 0 HE22 GLN B 53 77.160 -4.082 56.213 1.00 0.00 H new ATOM 1657 N VAL B 54 75.148 -10.138 59.264 1.00 0.00 N ATOM 1658 CA VAL B 54 74.108 -11.066 59.800 1.00 0.00 C ATOM 1659 C VAL B 54 74.780 -12.143 60.662 1.00 0.00 C ATOM 1660 O VAL B 54 75.983 -12.320 60.626 1.00 0.00 O ATOM 1661 CB VAL B 54 73.358 -11.723 58.630 1.00 0.00 C ATOM 1662 CG1 VAL B 54 72.056 -12.356 59.131 1.00 0.00 C ATOM 1663 CG2 VAL B 54 73.021 -10.665 57.571 1.00 0.00 C ATOM 0 H VAL B 54 75.015 -9.153 59.494 1.00 0.00 H new ATOM 0 HA VAL B 54 73.399 -10.509 60.412 1.00 0.00 H new ATOM 0 HB VAL B 54 73.995 -12.493 58.194 1.00 0.00 H new ATOM 0 HG11 VAL B 54 71.531 -12.819 58.295 1.00 0.00 H new ATOM 0 HG12 VAL B 54 72.285 -13.114 59.880 1.00 0.00 H new ATOM 0 HG13 VAL B 54 71.424 -11.586 59.574 1.00 0.00 H new ATOM 0 HG21 VAL B 54 72.489 -11.135 56.743 1.00 0.00 H new ATOM 0 HG22 VAL B 54 72.392 -9.893 58.015 1.00 0.00 H new ATOM 0 HG23 VAL B 54 73.942 -10.214 57.201 1.00 0.00 H new ATOM 1673 N ASP B 55 74.015 -12.858 61.445 1.00 0.00 N ATOM 1674 CA ASP B 55 74.616 -13.918 62.312 1.00 0.00 C ATOM 1675 C ASP B 55 74.695 -15.235 61.537 1.00 0.00 C ATOM 1676 O ASP B 55 75.678 -15.939 61.701 1.00 0.00 O ATOM 1677 CB ASP B 55 73.742 -14.111 63.550 1.00 0.00 C ATOM 1678 CG ASP B 55 74.460 -15.019 64.551 1.00 0.00 C ATOM 1679 OD1 ASP B 55 75.471 -15.590 64.180 1.00 0.00 O ATOM 1680 OD2 ASP B 55 73.983 -15.130 65.670 1.00 0.00 O ATOM 1681 OXT ASP B 55 73.770 -15.518 60.793 1.00 0.00 O ATOM 0 H ASP B 55 73.003 -12.755 61.523 1.00 0.00 H new ATOM 0 HA ASP B 55 75.619 -13.615 62.612 1.00 0.00 H new ATOM 0 HB2 ASP B 55 73.526 -13.146 64.009 1.00 0.00 H new ATOM 0 HB3 ASP B 55 72.785 -14.550 63.267 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 78.961 -2.085 35.757 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.610 -20.836 39.998 1.00 0.00 ZN