USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Single : A 1 PHE N :NH3+ 158:sc= 0.318 (180deg=0.133) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.0307 (180deg=-0.49) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -58:sc= 0.723 USER MOD Single : A 18 ASN : amide:sc= -0.0269 X(o=-0.027,f=0) USER MOD Single : A 22 MET CE :methyl -152:sc= -0.696 (180deg=-3.23!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.941 K(o=-0.94,f=-0.077) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 123:sc= 0.313 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.79) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.111) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.33! K(o=-1.3!,f=-0.49) USER MOD Single : A 53 GLN : amide:sc=-0.00718 K(o=-0.0072,f=-1.6!) USER MOD Single : B 1 PHE N :NH3+ 159:sc= 0.321 (180deg=0.13) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -159:sc= -0.0733 (180deg=-0.538) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -83:sc= 0.838 USER MOD Single : B 18 ASN : amide:sc= -0.0303 X(o=-0.03,f=0) USER MOD Single : B 22 MET CE :methyl -153:sc= -0.741 (180deg=-3.25!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.931 K(o=-0.93,f=-0.077) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 125:sc= 0.306 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= -0.826 K(o=-0.83,f=-0.16) USER MOD Single : B 46 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.113) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -1.48! K(o=-1.5!,f=-0.45) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.500 -3.702 24.020 1.00 0.00 N ATOM 2 CA PHE A 1 94.356 -4.357 25.349 1.00 0.00 C ATOM 3 C PHE A 1 93.963 -3.309 26.397 1.00 0.00 C ATOM 4 O PHE A 1 92.800 -3.013 26.591 1.00 0.00 O ATOM 5 CB PHE A 1 95.691 -5.003 25.750 1.00 0.00 C ATOM 6 CG PHE A 1 95.861 -6.330 25.044 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.360 -6.374 23.736 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.520 -7.520 25.701 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.520 -7.605 23.088 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.679 -8.750 25.051 1.00 0.00 C ATOM 11 CZ PHE A 1 96.178 -8.791 23.745 1.00 0.00 C ATOM 0 H1 PHE A 1 95.105 -4.287 23.408 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.563 -3.597 23.582 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.933 -2.764 24.140 1.00 0.00 H new ATOM 0 HA PHE A 1 93.583 -5.123 25.293 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.516 -4.338 25.495 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.723 -5.150 26.830 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.621 -5.458 23.227 1.00 0.00 H new ATOM 0 HD2 PHE A 1 95.134 -7.488 26.709 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.908 -7.638 22.081 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.416 -9.667 25.558 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.299 -9.740 23.243 1.00 0.00 H new ATOM 23 N LEU A 2 94.928 -2.762 27.083 1.00 0.00 N ATOM 24 CA LEU A 2 94.625 -1.748 28.133 1.00 0.00 C ATOM 25 C LEU A 2 93.941 -0.526 27.513 1.00 0.00 C ATOM 26 O LEU A 2 93.035 0.046 28.087 1.00 0.00 O ATOM 27 CB LEU A 2 95.934 -1.307 28.797 1.00 0.00 C ATOM 28 CG LEU A 2 96.632 -2.511 29.442 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.016 -2.083 29.936 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.807 -3.039 30.628 1.00 0.00 C ATOM 0 H LEU A 2 95.918 -2.974 26.961 1.00 0.00 H new ATOM 0 HA LEU A 2 93.957 -2.191 28.872 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.590 -0.851 28.056 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.730 -0.548 29.552 1.00 0.00 H new ATOM 0 HG LEU A 2 96.728 -3.305 28.701 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.518 -2.935 30.396 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.608 -1.724 29.094 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.909 -1.285 30.671 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.317 -3.893 31.074 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.697 -2.252 31.374 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.822 -3.347 30.278 1.00 0.00 H new ATOM 42 N ASP A 3 94.376 -0.107 26.357 1.00 0.00 N ATOM 43 CA ASP A 3 93.759 1.095 25.720 1.00 0.00 C ATOM 44 C ASP A 3 92.297 0.822 25.356 1.00 0.00 C ATOM 45 O ASP A 3 91.441 1.665 25.531 1.00 0.00 O ATOM 46 CB ASP A 3 94.536 1.446 24.453 1.00 0.00 C ATOM 47 CG ASP A 3 95.902 2.022 24.831 1.00 0.00 C ATOM 48 OD1 ASP A 3 95.938 3.143 25.314 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.889 1.335 24.630 1.00 0.00 O ATOM 0 H ASP A 3 95.130 -0.542 25.825 1.00 0.00 H new ATOM 0 HA ASP A 3 93.795 1.925 26.426 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.663 0.557 23.835 1.00 0.00 H new ATOM 0 HB3 ASP A 3 93.977 2.170 23.860 1.00 0.00 H new ATOM 54 N GLY A 4 91.998 -0.346 24.858 1.00 0.00 N ATOM 55 CA GLY A 4 90.585 -0.655 24.498 1.00 0.00 C ATOM 56 C GLY A 4 89.729 -0.548 25.756 1.00 0.00 C ATOM 57 O GLY A 4 88.614 -0.064 25.733 1.00 0.00 O ATOM 0 H GLY A 4 92.667 -1.097 24.685 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.228 0.039 23.737 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.513 -1.657 24.075 1.00 0.00 H new ATOM 61 N ILE A 5 90.254 -1.007 26.854 1.00 0.00 N ATOM 62 CA ILE A 5 89.504 -0.954 28.136 1.00 0.00 C ATOM 63 C ILE A 5 89.352 0.496 28.612 1.00 0.00 C ATOM 64 O ILE A 5 88.319 0.882 29.120 1.00 0.00 O ATOM 65 CB ILE A 5 90.265 -1.780 29.177 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.145 -3.262 28.816 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.687 -1.537 30.573 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.155 -4.071 29.627 1.00 0.00 C ATOM 0 H ILE A 5 91.183 -1.422 26.919 1.00 0.00 H new ATOM 0 HA ILE A 5 88.504 -1.364 27.995 1.00 0.00 H new ATOM 0 HB ILE A 5 91.314 -1.482 29.181 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.134 -3.615 29.019 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.324 -3.402 27.750 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.237 -2.130 31.303 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.775 -0.480 30.824 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.636 -1.827 30.587 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.068 -5.126 29.368 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.164 -3.724 29.402 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.956 -3.941 30.691 1.00 0.00 H new ATOM 80 N ASP A 6 90.371 1.298 28.467 1.00 0.00 N ATOM 81 CA ASP A 6 90.268 2.711 28.932 1.00 0.00 C ATOM 82 C ASP A 6 89.135 3.422 28.198 1.00 0.00 C ATOM 83 O ASP A 6 88.297 4.057 28.806 1.00 0.00 O ATOM 84 CB ASP A 6 91.585 3.443 28.667 1.00 0.00 C ATOM 85 CG ASP A 6 91.466 4.891 29.150 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.791 5.662 28.488 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.052 5.203 30.174 1.00 0.00 O ATOM 0 H ASP A 6 91.265 1.039 28.050 1.00 0.00 H new ATOM 0 HA ASP A 6 90.060 2.714 30.002 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.403 2.941 29.184 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.819 3.421 27.603 1.00 0.00 H new ATOM 92 N LYS A 7 89.091 3.325 26.901 1.00 0.00 N ATOM 93 CA LYS A 7 87.994 4.004 26.161 1.00 0.00 C ATOM 94 C LYS A 7 86.670 3.342 26.542 1.00 0.00 C ATOM 95 O LYS A 7 85.662 3.994 26.737 1.00 0.00 O ATOM 96 CB LYS A 7 88.228 3.851 24.657 1.00 0.00 C ATOM 97 CG LYS A 7 89.445 4.679 24.240 1.00 0.00 C ATOM 98 CD LYS A 7 89.674 4.521 22.734 1.00 0.00 C ATOM 99 CE LYS A 7 90.890 5.348 22.316 1.00 0.00 C ATOM 100 NZ LYS A 7 91.278 4.998 20.919 1.00 0.00 N ATOM 0 H LYS A 7 89.759 2.811 26.326 1.00 0.00 H new ATOM 0 HA LYS A 7 87.968 5.064 26.414 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.387 2.802 24.408 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.346 4.179 24.106 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.287 5.729 24.487 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.327 4.352 24.790 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.832 3.471 22.487 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.791 4.848 22.184 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.660 6.411 22.385 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.722 5.157 22.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.105 5.562 20.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.514 3.987 20.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.485 5.201 20.277 1.00 0.00 H new ATOM 114 N ALA A 8 86.677 2.044 26.663 1.00 0.00 N ATOM 115 CA ALA A 8 85.440 1.305 27.043 1.00 0.00 C ATOM 116 C ALA A 8 85.093 1.573 28.514 1.00 0.00 C ATOM 117 O ALA A 8 83.946 1.499 28.910 1.00 0.00 O ATOM 118 CB ALA A 8 85.659 -0.193 26.833 1.00 0.00 C ATOM 0 H ALA A 8 87.497 1.456 26.513 1.00 0.00 H new ATOM 0 HA ALA A 8 84.615 1.647 26.418 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.755 -0.735 27.111 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.889 -0.384 25.785 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.489 -0.530 27.454 1.00 0.00 H new ATOM 124 N GLN A 9 86.070 1.862 29.331 1.00 0.00 N ATOM 125 CA GLN A 9 85.779 2.104 30.775 1.00 0.00 C ATOM 126 C GLN A 9 84.826 3.294 30.913 1.00 0.00 C ATOM 127 O GLN A 9 84.953 4.291 30.228 1.00 0.00 O ATOM 128 CB GLN A 9 87.081 2.405 31.525 1.00 0.00 C ATOM 129 CG GLN A 9 86.807 2.412 33.032 1.00 0.00 C ATOM 130 CD GLN A 9 88.110 2.661 33.793 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.812 1.730 34.137 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.465 3.884 34.074 1.00 0.00 N ATOM 0 H GLN A 9 87.051 1.941 29.064 1.00 0.00 H new ATOM 0 HA GLN A 9 85.316 1.214 31.200 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.835 1.655 31.284 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.480 3.370 31.212 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.079 3.186 33.275 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.373 1.460 33.337 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.876 4.665 33.785 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.332 4.059 34.582 1.00 0.00 H new ATOM 141 N GLU A 10 83.868 3.190 31.796 1.00 0.00 N ATOM 142 CA GLU A 10 82.891 4.301 31.988 1.00 0.00 C ATOM 143 C GLU A 10 82.005 3.973 33.195 1.00 0.00 C ATOM 144 O GLU A 10 82.005 2.861 33.684 1.00 0.00 O ATOM 145 CB GLU A 10 82.024 4.435 30.730 1.00 0.00 C ATOM 146 CG GLU A 10 81.299 5.782 30.740 1.00 0.00 C ATOM 147 CD GLU A 10 80.603 5.991 29.394 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.950 5.291 28.457 1.00 0.00 O ATOM 149 OE2 GLU A 10 79.737 6.847 29.323 1.00 0.00 O ATOM 0 H GLU A 10 83.720 2.378 32.396 1.00 0.00 H new ATOM 0 HA GLU A 10 83.417 5.240 32.162 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.646 4.353 29.839 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.299 3.622 30.689 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.568 5.809 31.548 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.008 6.589 30.925 1.00 0.00 H new ATOM 156 N GLU A 11 81.260 4.926 33.693 1.00 0.00 N ATOM 157 CA GLU A 11 80.397 4.643 34.879 1.00 0.00 C ATOM 158 C GLU A 11 79.442 3.485 34.561 1.00 0.00 C ATOM 159 O GLU A 11 79.287 3.092 33.421 1.00 0.00 O ATOM 160 CB GLU A 11 79.613 5.903 35.276 1.00 0.00 C ATOM 161 CG GLU A 11 78.546 6.233 34.229 1.00 0.00 C ATOM 162 CD GLU A 11 77.879 7.561 34.597 1.00 0.00 C ATOM 163 OE1 GLU A 11 77.511 7.714 35.750 1.00 0.00 O ATOM 164 OE2 GLU A 11 77.750 8.400 33.721 1.00 0.00 O ATOM 0 H GLU A 11 81.212 5.879 33.334 1.00 0.00 H new ATOM 0 HA GLU A 11 81.026 4.354 35.721 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.141 5.752 36.247 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.298 6.744 35.381 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.998 6.300 33.239 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.802 5.437 34.186 1.00 0.00 H new ATOM 171 N HIS A 12 78.821 2.918 35.565 1.00 0.00 N ATOM 172 CA HIS A 12 77.900 1.763 35.329 1.00 0.00 C ATOM 173 C HIS A 12 76.604 2.244 34.672 1.00 0.00 C ATOM 174 O HIS A 12 75.661 2.632 35.333 1.00 0.00 O ATOM 175 CB HIS A 12 77.581 1.101 36.674 1.00 0.00 C ATOM 176 CG HIS A 12 76.810 -0.174 36.457 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.433 -1.375 36.147 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.467 -0.458 36.533 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.475 -2.321 36.055 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.263 -1.811 36.280 1.00 0.00 N ATOM 0 H HIS A 12 78.912 3.205 36.539 1.00 0.00 H new ATOM 0 HA HIS A 12 78.382 1.046 34.665 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.505 0.888 37.211 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.001 1.784 37.295 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.690 0.259 36.755 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.665 -3.360 35.828 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.373 -2.309 36.269 1.00 0.00 H new ATOM 188 N GLU A 13 76.558 2.212 33.363 1.00 0.00 N ATOM 189 CA GLU A 13 75.336 2.655 32.622 1.00 0.00 C ATOM 190 C GLU A 13 74.546 1.434 32.147 1.00 0.00 C ATOM 191 O GLU A 13 74.748 0.329 32.610 1.00 0.00 O ATOM 192 CB GLU A 13 75.758 3.468 31.399 1.00 0.00 C ATOM 193 CG GLU A 13 76.637 4.637 31.837 1.00 0.00 C ATOM 194 CD GLU A 13 76.955 5.516 30.627 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.724 5.068 29.517 1.00 0.00 O ATOM 196 OE2 GLU A 13 77.427 6.623 30.833 1.00 0.00 O ATOM 0 H GLU A 13 77.324 1.894 32.769 1.00 0.00 H new ATOM 0 HA GLU A 13 74.716 3.259 33.284 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.302 2.834 30.699 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.877 3.839 30.875 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.127 5.223 32.602 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.560 4.265 32.283 1.00 0.00 H new ATOM 203 N LYS A 14 73.663 1.630 31.204 1.00 0.00 N ATOM 204 CA LYS A 14 72.871 0.489 30.666 1.00 0.00 C ATOM 205 C LYS A 14 73.814 -0.403 29.860 1.00 0.00 C ATOM 206 O LYS A 14 73.643 -1.604 29.776 1.00 0.00 O ATOM 207 CB LYS A 14 71.764 1.021 29.749 1.00 0.00 C ATOM 208 CG LYS A 14 70.730 1.781 30.582 1.00 0.00 C ATOM 209 CD LYS A 14 69.625 2.311 29.669 1.00 0.00 C ATOM 210 CE LYS A 14 68.594 3.071 30.507 1.00 0.00 C ATOM 211 NZ LYS A 14 67.933 2.132 31.459 1.00 0.00 N ATOM 0 H LYS A 14 73.456 2.536 30.782 1.00 0.00 H new ATOM 0 HA LYS A 14 72.416 -0.075 31.481 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.190 1.679 28.991 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.286 0.195 29.222 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.305 1.124 31.340 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.208 2.607 31.108 1.00 0.00 H new ATOM 0 HD2 LYS A 14 70.049 2.969 28.910 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.145 1.485 29.143 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.080 3.878 31.055 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.849 3.530 29.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.038 2.546 31.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.740 1.230 30.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.559 1.964 32.272 1.00 0.00 H new ATOM 225 N TYR A 15 74.816 0.191 29.271 1.00 0.00 N ATOM 226 CA TYR A 15 75.802 -0.585 28.468 1.00 0.00 C ATOM 227 C TYR A 15 76.483 -1.621 29.368 1.00 0.00 C ATOM 228 O TYR A 15 76.739 -2.737 28.963 1.00 0.00 O ATOM 229 CB TYR A 15 76.846 0.375 27.887 1.00 0.00 C ATOM 230 CG TYR A 15 76.264 1.069 26.678 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.285 0.437 25.430 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.694 2.340 26.811 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.736 1.078 24.313 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.144 2.980 25.696 1.00 0.00 C ATOM 235 CZ TYR A 15 75.165 2.350 24.445 1.00 0.00 C ATOM 236 OH TYR A 15 74.621 2.983 23.346 1.00 0.00 O ATOM 0 H TYR A 15 74.995 1.194 29.313 1.00 0.00 H new ATOM 0 HA TYR A 15 75.295 -1.100 27.652 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.139 1.110 28.637 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.746 -0.173 27.608 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.724 -0.544 25.328 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.679 2.827 27.775 1.00 0.00 H new ATOM 0 HE1 TYR A 15 75.753 0.591 23.349 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.703 3.960 25.799 1.00 0.00 H new ATOM 0 HH TYR A 15 74.267 3.857 23.614 1.00 0.00 H new ATOM 246 N HIS A 16 76.778 -1.260 30.588 1.00 0.00 N ATOM 247 CA HIS A 16 77.441 -2.225 31.511 1.00 0.00 C ATOM 248 C HIS A 16 76.543 -3.451 31.688 1.00 0.00 C ATOM 249 O HIS A 16 77.014 -4.570 31.733 1.00 0.00 O ATOM 250 CB HIS A 16 77.682 -1.560 32.878 1.00 0.00 C ATOM 251 CG HIS A 16 78.967 -0.772 32.859 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.814 -0.714 33.960 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.563 -0.009 31.887 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.862 0.061 33.625 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.755 0.514 32.374 1.00 0.00 N ATOM 0 H HIS A 16 76.589 -0.340 30.985 1.00 0.00 H new ATOM 0 HA HIS A 16 78.399 -2.529 31.090 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.848 -0.902 33.122 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.726 -2.321 33.657 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.167 0.159 30.896 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.686 0.288 34.285 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.411 1.118 31.879 1.00 0.00 H new ATOM 263 N SER A 17 75.257 -3.264 31.788 1.00 0.00 N ATOM 264 CA SER A 17 74.370 -4.444 31.962 1.00 0.00 C ATOM 265 C SER A 17 74.543 -5.368 30.754 1.00 0.00 C ATOM 266 O SER A 17 74.617 -6.572 30.893 1.00 0.00 O ATOM 267 CB SER A 17 72.915 -3.981 32.047 1.00 0.00 C ATOM 268 OG SER A 17 72.521 -3.439 30.794 1.00 0.00 O ATOM 0 H SER A 17 74.788 -2.359 31.757 1.00 0.00 H new ATOM 0 HA SER A 17 74.630 -4.975 32.878 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.270 -4.818 32.313 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.805 -3.232 32.831 1.00 0.00 H new ATOM 0 HG SER A 17 73.112 -2.693 30.560 1.00 0.00 H new ATOM 274 N ASN A 18 74.634 -4.810 29.571 1.00 0.00 N ATOM 275 CA ASN A 18 74.832 -5.647 28.345 1.00 0.00 C ATOM 276 C ASN A 18 76.271 -5.489 27.849 1.00 0.00 C ATOM 277 O ASN A 18 76.567 -4.624 27.049 1.00 0.00 O ATOM 278 CB ASN A 18 73.872 -5.175 27.255 1.00 0.00 C ATOM 279 CG ASN A 18 72.431 -5.387 27.720 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.653 -4.456 27.762 1.00 0.00 O ATOM 281 ND2 ASN A 18 72.040 -6.580 28.075 1.00 0.00 N ATOM 0 H ASN A 18 74.579 -3.806 29.401 1.00 0.00 H new ATOM 0 HA ASN A 18 74.639 -6.693 28.581 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.044 -4.121 27.036 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.053 -5.726 26.332 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.081 -6.730 28.388 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.693 -7.362 28.040 1.00 0.00 H new ATOM 288 N TRP A 19 77.170 -6.316 28.305 1.00 0.00 N ATOM 289 CA TRP A 19 78.580 -6.198 27.839 1.00 0.00 C ATOM 290 C TRP A 19 78.673 -6.631 26.372 1.00 0.00 C ATOM 291 O TRP A 19 79.558 -6.215 25.649 1.00 0.00 O ATOM 292 CB TRP A 19 79.507 -7.049 28.713 1.00 0.00 C ATOM 293 CG TRP A 19 79.152 -8.495 28.607 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.428 -9.174 29.520 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.498 -9.450 27.562 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.305 -10.489 29.106 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.947 -10.707 27.903 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.227 -9.350 26.364 1.00 0.00 C ATOM 299 CZ2 TRP A 19 79.114 -11.825 27.087 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.396 -10.472 25.539 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.840 -11.708 25.901 1.00 0.00 C ATOM 0 H TRP A 19 76.992 -7.064 28.976 1.00 0.00 H new ATOM 0 HA TRP A 19 78.898 -5.159 27.923 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.542 -6.900 28.406 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.433 -6.726 29.752 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.012 -8.759 30.426 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.802 -11.208 29.626 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.660 -8.403 26.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.685 -12.775 27.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.957 -10.384 24.620 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.974 -12.569 25.262 1.00 0.00 H new ATOM 312 N ARG A 20 77.775 -7.471 25.928 1.00 0.00 N ATOM 313 CA ARG A 20 77.823 -7.939 24.510 1.00 0.00 C ATOM 314 C ARG A 20 77.682 -6.753 23.549 1.00 0.00 C ATOM 315 O ARG A 20 78.348 -6.689 22.534 1.00 0.00 O ATOM 316 CB ARG A 20 76.677 -8.926 24.258 1.00 0.00 C ATOM 317 CG ARG A 20 76.950 -10.232 25.006 1.00 0.00 C ATOM 318 CD ARG A 20 75.764 -11.186 24.832 1.00 0.00 C ATOM 319 NE ARG A 20 75.616 -11.548 23.395 1.00 0.00 N ATOM 320 CZ ARG A 20 74.884 -12.573 23.053 1.00 0.00 C ATOM 321 NH1 ARG A 20 74.287 -13.286 23.969 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.748 -12.884 21.793 1.00 0.00 N ATOM 0 H ARG A 20 77.011 -7.853 26.485 1.00 0.00 H new ATOM 0 HA ARG A 20 78.782 -8.427 24.336 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.733 -8.495 24.591 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.580 -9.121 23.190 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.861 -10.696 24.627 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.113 -10.029 26.064 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.918 -12.085 25.429 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.850 -10.715 25.194 1.00 0.00 H new ATOM 0 HE ARG A 20 76.086 -10.995 22.678 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.392 -13.042 24.954 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.715 -14.087 23.700 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.213 -12.326 21.077 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.176 -13.685 21.524 1.00 0.00 H new ATOM 336 N ALA A 21 76.830 -5.814 23.853 1.00 0.00 N ATOM 337 CA ALA A 21 76.666 -4.644 22.942 1.00 0.00 C ATOM 338 C ALA A 21 77.972 -3.846 22.900 1.00 0.00 C ATOM 339 O ALA A 21 78.397 -3.380 21.860 1.00 0.00 O ATOM 340 CB ALA A 21 75.538 -3.745 23.457 1.00 0.00 C ATOM 0 H ALA A 21 76.243 -5.804 24.687 1.00 0.00 H new ATOM 0 HA ALA A 21 76.419 -4.997 21.941 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.420 -2.891 22.790 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.607 -4.311 23.489 1.00 0.00 H new ATOM 0 HB3 ALA A 21 75.783 -3.392 24.459 1.00 0.00 H new ATOM 346 N MET A 22 78.613 -3.693 24.025 1.00 0.00 N ATOM 347 CA MET A 22 79.893 -2.929 24.067 1.00 0.00 C ATOM 348 C MET A 22 80.943 -3.654 23.221 1.00 0.00 C ATOM 349 O MET A 22 81.710 -3.039 22.507 1.00 0.00 O ATOM 350 CB MET A 22 80.356 -2.828 25.526 1.00 0.00 C ATOM 351 CG MET A 22 81.527 -1.843 25.647 1.00 0.00 C ATOM 352 SD MET A 22 83.036 -2.582 24.966 1.00 0.00 S ATOM 353 CE MET A 22 83.226 -3.919 26.174 1.00 0.00 C ATOM 0 H MET A 22 78.304 -4.066 24.923 1.00 0.00 H new ATOM 0 HA MET A 22 79.752 -1.926 23.663 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.529 -2.499 26.155 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.660 -3.811 25.887 1.00 0.00 H new ATOM 0 HG2 MET A 22 81.293 -0.921 25.116 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.683 -1.578 26.693 1.00 0.00 H new ATOM 0 HE1 MET A 22 84.281 -4.178 26.267 1.00 0.00 H new ATOM 0 HE2 MET A 22 82.846 -3.592 27.142 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.666 -4.793 25.841 1.00 0.00 H new ATOM 363 N ALA A 23 80.979 -4.956 23.285 1.00 0.00 N ATOM 364 CA ALA A 23 81.973 -5.717 22.475 1.00 0.00 C ATOM 365 C ALA A 23 81.738 -5.435 20.989 1.00 0.00 C ATOM 366 O ALA A 23 82.666 -5.243 20.227 1.00 0.00 O ATOM 367 CB ALA A 23 81.795 -7.212 22.742 1.00 0.00 C ATOM 0 H ALA A 23 80.363 -5.527 23.863 1.00 0.00 H new ATOM 0 HA ALA A 23 82.983 -5.412 22.748 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.519 -7.775 22.153 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.954 -7.414 23.801 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.786 -7.514 22.462 1.00 0.00 H new ATOM 373 N SER A 24 80.502 -5.409 20.573 1.00 0.00 N ATOM 374 CA SER A 24 80.199 -5.142 19.138 1.00 0.00 C ATOM 375 C SER A 24 80.568 -3.701 18.782 1.00 0.00 C ATOM 376 O SER A 24 81.076 -3.425 17.714 1.00 0.00 O ATOM 377 CB SER A 24 78.707 -5.359 18.879 1.00 0.00 C ATOM 378 OG SER A 24 78.379 -6.719 19.135 1.00 0.00 O ATOM 0 H SER A 24 79.686 -5.562 21.166 1.00 0.00 H new ATOM 0 HA SER A 24 80.783 -5.825 18.521 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.116 -4.704 19.519 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.464 -5.102 17.848 1.00 0.00 H new ATOM 0 HG SER A 24 77.423 -6.861 18.972 1.00 0.00 H new ATOM 384 N ASP A 25 80.295 -2.776 19.661 1.00 0.00 N ATOM 385 CA ASP A 25 80.611 -1.350 19.364 1.00 0.00 C ATOM 386 C ASP A 25 82.115 -1.183 19.145 1.00 0.00 C ATOM 387 O ASP A 25 82.546 -0.458 18.270 1.00 0.00 O ATOM 388 CB ASP A 25 80.166 -0.481 20.540 1.00 0.00 C ATOM 389 CG ASP A 25 78.638 -0.448 20.601 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.040 0.093 19.686 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.092 -0.967 21.561 1.00 0.00 O ATOM 0 H ASP A 25 79.867 -2.946 20.571 1.00 0.00 H new ATOM 0 HA ASP A 25 80.085 -1.044 18.460 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.569 -0.877 21.472 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.558 0.530 20.428 1.00 0.00 H new ATOM 396 N PHE A 26 82.917 -1.856 19.928 1.00 0.00 N ATOM 397 CA PHE A 26 84.401 -1.747 19.768 1.00 0.00 C ATOM 398 C PHE A 26 84.907 -2.940 18.953 1.00 0.00 C ATOM 399 O PHE A 26 86.084 -3.064 18.680 1.00 0.00 O ATOM 400 CB PHE A 26 85.060 -1.739 21.150 1.00 0.00 C ATOM 401 CG PHE A 26 84.783 -0.414 21.829 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.531 -0.167 22.411 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.783 0.568 21.878 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.284 1.061 23.038 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.532 1.793 22.505 1.00 0.00 C ATOM 406 CZ PHE A 26 84.284 2.040 23.085 1.00 0.00 C ATOM 0 H PHE A 26 82.609 -2.479 20.674 1.00 0.00 H new ATOM 0 HA PHE A 26 84.653 -0.823 19.247 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.673 -2.559 21.755 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.135 -1.894 21.054 1.00 0.00 H new ATOM 0 HD1 PHE A 26 82.759 -0.922 22.376 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.748 0.378 21.431 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.320 1.253 23.486 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.303 2.549 22.541 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.091 2.986 23.569 1.00 0.00 H new ATOM 416 N ASN A 27 84.017 -3.806 18.553 1.00 0.00 N ATOM 417 CA ASN A 27 84.421 -4.989 17.740 1.00 0.00 C ATOM 418 C ASN A 27 85.518 -5.788 18.457 1.00 0.00 C ATOM 419 O ASN A 27 86.506 -6.164 17.857 1.00 0.00 O ATOM 420 CB ASN A 27 84.935 -4.522 16.373 1.00 0.00 C ATOM 421 CG ASN A 27 83.827 -3.758 15.645 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.065 -2.710 15.079 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.614 -4.245 15.635 1.00 0.00 N ATOM 0 H ASN A 27 83.019 -3.745 18.756 1.00 0.00 H new ATOM 0 HA ASN A 27 83.552 -5.633 17.605 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.809 -3.883 16.500 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.251 -5.380 15.779 1.00 0.00 H new ATOM 0 HD21 ASN A 27 81.868 -3.745 15.152 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.414 -5.125 16.110 1.00 0.00 H new ATOM 430 N LEU A 28 85.345 -6.066 19.730 1.00 0.00 N ATOM 431 CA LEU A 28 86.370 -6.861 20.491 1.00 0.00 C ATOM 432 C LEU A 28 85.706 -8.151 20.986 1.00 0.00 C ATOM 433 O LEU A 28 84.514 -8.178 21.212 1.00 0.00 O ATOM 434 CB LEU A 28 86.848 -6.045 21.701 1.00 0.00 C ATOM 435 CG LEU A 28 87.576 -4.775 21.226 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.624 -3.756 22.364 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.013 -5.109 20.800 1.00 0.00 C ATOM 0 H LEU A 28 84.535 -5.776 20.278 1.00 0.00 H new ATOM 0 HA LEU A 28 87.221 -7.092 19.850 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.997 -5.774 22.326 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.516 -6.648 22.316 1.00 0.00 H new ATOM 0 HG LEU A 28 87.034 -4.363 20.375 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.140 -2.857 22.026 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.609 -3.500 22.666 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.158 -4.183 23.213 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.514 -4.200 20.467 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.554 -5.532 21.646 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.992 -5.832 19.984 1.00 0.00 H new ATOM 449 N PRO A 29 86.451 -9.220 21.153 1.00 0.00 N ATOM 450 CA PRO A 29 85.870 -10.508 21.629 1.00 0.00 C ATOM 451 C PRO A 29 85.433 -10.414 23.104 1.00 0.00 C ATOM 452 O PRO A 29 86.005 -9.660 23.865 1.00 0.00 O ATOM 453 CB PRO A 29 87.018 -11.515 21.454 1.00 0.00 C ATOM 454 CG PRO A 29 88.263 -10.692 21.526 1.00 0.00 C ATOM 455 CD PRO A 29 87.905 -9.333 20.917 1.00 0.00 C ATOM 0 HA PRO A 29 84.973 -10.792 21.078 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.000 -12.275 22.236 1.00 0.00 H new ATOM 0 HB3 PRO A 29 86.944 -12.037 20.500 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.599 -10.581 22.557 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.076 -11.165 20.975 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.453 -8.522 21.396 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.143 -9.295 19.854 1.00 0.00 H new ATOM 463 N PRO A 30 84.433 -11.161 23.510 1.00 0.00 N ATOM 464 CA PRO A 30 83.943 -11.132 24.918 1.00 0.00 C ATOM 465 C PRO A 30 85.086 -11.076 25.941 1.00 0.00 C ATOM 466 O PRO A 30 84.894 -10.696 27.076 1.00 0.00 O ATOM 467 CB PRO A 30 83.178 -12.453 25.053 1.00 0.00 C ATOM 468 CG PRO A 30 82.665 -12.752 23.678 1.00 0.00 C ATOM 469 CD PRO A 30 83.657 -12.117 22.689 1.00 0.00 C ATOM 0 HA PRO A 30 83.341 -10.246 25.117 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.829 -13.250 25.412 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.360 -12.363 25.768 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.593 -13.828 23.517 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.665 -12.341 23.540 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.304 -12.869 22.237 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.138 -11.612 21.875 1.00 0.00 H new ATOM 477 N VAL A 31 86.265 -11.479 25.560 1.00 0.00 N ATOM 478 CA VAL A 31 87.390 -11.483 26.536 1.00 0.00 C ATOM 479 C VAL A 31 87.661 -10.080 27.072 1.00 0.00 C ATOM 480 O VAL A 31 87.756 -9.880 28.266 1.00 0.00 O ATOM 481 CB VAL A 31 88.647 -12.026 25.840 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.885 -11.802 26.722 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.468 -13.525 25.587 1.00 0.00 C ATOM 0 H VAL A 31 86.498 -11.804 24.622 1.00 0.00 H new ATOM 0 HA VAL A 31 87.122 -12.117 27.381 1.00 0.00 H new ATOM 0 HB VAL A 31 88.789 -11.500 24.896 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.768 -12.192 26.216 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.013 -10.735 26.905 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.753 -12.320 27.672 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.356 -13.919 25.093 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.323 -14.040 26.537 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.598 -13.685 24.951 1.00 0.00 H new ATOM 493 N VAL A 32 87.790 -9.110 26.223 1.00 0.00 N ATOM 494 CA VAL A 32 88.059 -7.741 26.732 1.00 0.00 C ATOM 495 C VAL A 32 86.816 -7.233 27.465 1.00 0.00 C ATOM 496 O VAL A 32 86.903 -6.608 28.503 1.00 0.00 O ATOM 497 CB VAL A 32 88.397 -6.821 25.561 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.452 -5.370 26.046 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.757 -7.224 24.988 1.00 0.00 C ATOM 0 H VAL A 32 87.722 -9.200 25.209 1.00 0.00 H new ATOM 0 HA VAL A 32 88.903 -7.755 27.421 1.00 0.00 H new ATOM 0 HB VAL A 32 87.632 -6.910 24.790 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.693 -4.715 25.209 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.484 -5.088 26.460 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.218 -5.272 26.815 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.007 -6.572 24.151 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.520 -7.130 25.761 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.715 -8.257 24.643 1.00 0.00 H new ATOM 509 N ALA A 33 85.660 -7.502 26.926 1.00 0.00 N ATOM 510 CA ALA A 33 84.402 -7.046 27.578 1.00 0.00 C ATOM 511 C ALA A 33 84.252 -7.711 28.952 1.00 0.00 C ATOM 512 O ALA A 33 83.911 -7.068 29.926 1.00 0.00 O ATOM 513 CB ALA A 33 83.219 -7.414 26.681 1.00 0.00 C ATOM 0 H ALA A 33 85.532 -8.021 26.057 1.00 0.00 H new ATOM 0 HA ALA A 33 84.431 -5.966 27.720 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.291 -7.085 27.149 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.331 -6.926 25.713 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.191 -8.495 26.541 1.00 0.00 H new ATOM 519 N LYS A 34 84.515 -8.988 29.046 1.00 0.00 N ATOM 520 CA LYS A 34 84.399 -9.678 30.363 1.00 0.00 C ATOM 521 C LYS A 34 85.368 -9.052 31.369 1.00 0.00 C ATOM 522 O LYS A 34 85.062 -8.923 32.537 1.00 0.00 O ATOM 523 CB LYS A 34 84.679 -11.178 30.210 1.00 0.00 C ATOM 524 CG LYS A 34 83.476 -11.856 29.544 1.00 0.00 C ATOM 525 CD LYS A 34 83.749 -13.353 29.389 1.00 0.00 C ATOM 526 CE LYS A 34 82.546 -14.023 28.721 1.00 0.00 C ATOM 527 NZ LYS A 34 82.874 -15.445 28.413 1.00 0.00 N ATOM 0 H LYS A 34 84.805 -9.582 28.269 1.00 0.00 H new ATOM 0 HA LYS A 34 83.381 -9.557 30.734 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.576 -11.332 29.610 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.868 -11.625 31.186 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.580 -11.700 30.145 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.288 -11.408 28.568 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.646 -13.510 28.790 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.935 -13.803 30.364 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.678 -13.973 29.378 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.283 -13.493 27.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.056 -15.899 27.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.691 -15.482 27.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.104 -15.947 29.294 1.00 0.00 H new ATOM 541 N GLU A 35 86.540 -8.674 30.941 1.00 0.00 N ATOM 542 CA GLU A 35 87.508 -8.075 31.900 1.00 0.00 C ATOM 543 C GLU A 35 86.901 -6.811 32.512 1.00 0.00 C ATOM 544 O GLU A 35 87.018 -6.575 33.698 1.00 0.00 O ATOM 545 CB GLU A 35 88.802 -7.707 31.169 1.00 0.00 C ATOM 546 CG GLU A 35 89.815 -7.126 32.167 1.00 0.00 C ATOM 547 CD GLU A 35 89.494 -5.656 32.464 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.797 -5.043 31.672 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.954 -5.167 33.483 1.00 0.00 O ATOM 0 H GLU A 35 86.867 -8.753 29.978 1.00 0.00 H new ATOM 0 HA GLU A 35 87.728 -8.798 32.686 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.220 -8.589 30.684 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.593 -6.980 30.384 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.795 -7.703 33.092 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.823 -7.209 31.761 1.00 0.00 H new ATOM 556 N ILE A 36 86.238 -6.000 31.730 1.00 0.00 N ATOM 557 CA ILE A 36 85.625 -4.773 32.309 1.00 0.00 C ATOM 558 C ILE A 36 84.586 -5.204 33.344 1.00 0.00 C ATOM 559 O ILE A 36 84.463 -4.621 34.403 1.00 0.00 O ATOM 560 CB ILE A 36 84.939 -3.958 31.213 1.00 0.00 C ATOM 561 CG1 ILE A 36 85.983 -3.474 30.203 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.249 -2.749 31.846 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.282 -2.886 28.976 1.00 0.00 C ATOM 0 H ILE A 36 86.097 -6.133 30.729 1.00 0.00 H new ATOM 0 HA ILE A 36 86.396 -4.157 32.771 1.00 0.00 H new ATOM 0 HB ILE A 36 84.203 -4.579 30.702 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.625 -2.722 30.662 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.625 -4.303 29.904 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.757 -2.163 31.070 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.507 -3.090 32.568 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.990 -2.131 32.353 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.029 -2.543 28.260 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.659 -3.650 28.512 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.659 -2.045 29.281 1.00 0.00 H new ATOM 575 N VAL A 37 83.848 -6.236 33.038 1.00 0.00 N ATOM 576 CA VAL A 37 82.819 -6.739 33.989 1.00 0.00 C ATOM 577 C VAL A 37 83.504 -7.214 35.269 1.00 0.00 C ATOM 578 O VAL A 37 83.019 -7.003 36.364 1.00 0.00 O ATOM 579 CB VAL A 37 82.067 -7.907 33.341 1.00 0.00 C ATOM 580 CG1 VAL A 37 81.185 -8.621 34.382 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.192 -7.364 32.207 1.00 0.00 C ATOM 0 H VAL A 37 83.915 -6.756 32.163 1.00 0.00 H new ATOM 0 HA VAL A 37 82.116 -5.942 34.231 1.00 0.00 H new ATOM 0 HB VAL A 37 82.786 -8.625 32.947 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.658 -9.448 33.906 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.811 -9.005 35.187 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.461 -7.916 34.790 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.652 -8.187 31.738 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.479 -6.645 32.610 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.822 -6.874 31.465 1.00 0.00 H new ATOM 591 N ALA A 38 84.625 -7.860 35.135 1.00 0.00 N ATOM 592 CA ALA A 38 85.350 -8.363 36.332 1.00 0.00 C ATOM 593 C ALA A 38 85.799 -7.187 37.199 1.00 0.00 C ATOM 594 O ALA A 38 85.755 -7.248 38.411 1.00 0.00 O ATOM 595 CB ALA A 38 86.576 -9.160 35.884 1.00 0.00 C ATOM 0 H ALA A 38 85.074 -8.063 34.242 1.00 0.00 H new ATOM 0 HA ALA A 38 84.686 -9.004 36.912 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.109 -9.530 36.760 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.258 -10.003 35.270 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.236 -8.516 35.302 1.00 0.00 H new ATOM 601 N SER A 39 86.247 -6.125 36.592 1.00 0.00 N ATOM 602 CA SER A 39 86.715 -4.958 37.393 1.00 0.00 C ATOM 603 C SER A 39 85.521 -4.228 38.012 1.00 0.00 C ATOM 604 O SER A 39 85.574 -3.793 39.144 1.00 0.00 O ATOM 605 CB SER A 39 87.491 -3.996 36.492 1.00 0.00 C ATOM 606 OG SER A 39 88.701 -4.616 36.078 1.00 0.00 O ATOM 0 H SER A 39 86.310 -6.013 35.580 1.00 0.00 H new ATOM 0 HA SER A 39 87.364 -5.316 38.192 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.890 -3.728 35.623 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.707 -3.072 37.028 1.00 0.00 H new ATOM 0 HG SER A 39 88.741 -4.634 35.099 1.00 0.00 H new ATOM 612 N CYS A 40 84.448 -4.086 37.287 1.00 0.00 N ATOM 613 CA CYS A 40 83.265 -3.380 37.856 1.00 0.00 C ATOM 614 C CYS A 40 82.535 -4.319 38.822 1.00 0.00 C ATOM 615 O CYS A 40 81.980 -5.324 38.425 1.00 0.00 O ATOM 616 CB CYS A 40 82.323 -2.955 36.728 1.00 0.00 C ATOM 617 SG CYS A 40 81.133 -1.746 37.358 1.00 0.00 S ATOM 0 H CYS A 40 84.338 -4.425 36.331 1.00 0.00 H new ATOM 0 HA CYS A 40 83.593 -2.490 38.394 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.894 -2.524 35.906 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.799 -3.824 36.331 1.00 0.00 H new ATOM 622 N ASP A 41 82.549 -4.004 40.089 1.00 0.00 N ATOM 623 CA ASP A 41 81.875 -4.881 41.091 1.00 0.00 C ATOM 624 C ASP A 41 80.379 -5.001 40.790 1.00 0.00 C ATOM 625 O ASP A 41 79.796 -6.059 40.923 1.00 0.00 O ATOM 626 CB ASP A 41 82.068 -4.287 42.489 1.00 0.00 C ATOM 627 CG ASP A 41 83.526 -4.461 42.914 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.351 -3.683 42.462 1.00 0.00 O ATOM 629 OD2 ASP A 41 83.796 -5.373 43.677 1.00 0.00 O ATOM 0 H ASP A 41 83.000 -3.174 40.475 1.00 0.00 H new ATOM 0 HA ASP A 41 82.318 -5.876 41.041 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.801 -3.230 42.488 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.408 -4.782 43.201 1.00 0.00 H new ATOM 634 N LYS A 42 79.751 -3.931 40.396 1.00 0.00 N ATOM 635 CA LYS A 42 78.290 -3.991 40.103 1.00 0.00 C ATOM 636 C LYS A 42 78.020 -4.988 38.970 1.00 0.00 C ATOM 637 O LYS A 42 77.060 -5.733 39.001 1.00 0.00 O ATOM 638 CB LYS A 42 77.811 -2.602 39.685 1.00 0.00 C ATOM 639 CG LYS A 42 77.894 -1.655 40.885 1.00 0.00 C ATOM 640 CD LYS A 42 77.416 -0.264 40.469 1.00 0.00 C ATOM 641 CE LYS A 42 77.511 0.694 41.661 1.00 0.00 C ATOM 642 NZ LYS A 42 77.182 2.076 41.210 1.00 0.00 N ATOM 0 H LYS A 42 80.184 -3.017 40.264 1.00 0.00 H new ATOM 0 HA LYS A 42 77.755 -4.318 40.995 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.424 -2.225 38.866 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.786 -2.654 39.318 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.281 -2.033 41.703 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.919 -1.605 41.252 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.022 0.107 39.643 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.387 -0.314 40.112 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.824 0.383 42.448 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.515 0.667 42.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.246 2.729 42.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.854 2.370 40.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.216 2.095 40.825 1.00 0.00 H new ATOM 656 N CYS A 43 78.858 -5.010 37.970 1.00 0.00 N ATOM 657 CA CYS A 43 78.645 -5.959 36.840 1.00 0.00 C ATOM 658 C CYS A 43 79.068 -7.365 37.264 1.00 0.00 C ATOM 659 O CYS A 43 78.591 -8.353 36.744 1.00 0.00 O ATOM 660 CB CYS A 43 79.508 -5.555 35.648 1.00 0.00 C ATOM 661 SG CYS A 43 79.223 -3.823 35.228 1.00 0.00 S ATOM 0 H CYS A 43 79.680 -4.413 37.886 1.00 0.00 H new ATOM 0 HA CYS A 43 77.590 -5.939 36.568 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.561 -5.711 35.883 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.276 -6.187 34.791 1.00 0.00 H new ATOM 666 N GLN A 44 79.993 -7.457 38.178 1.00 0.00 N ATOM 667 CA GLN A 44 80.487 -8.794 38.606 1.00 0.00 C ATOM 668 C GLN A 44 79.456 -9.487 39.500 1.00 0.00 C ATOM 669 O GLN A 44 78.812 -10.433 39.093 1.00 0.00 O ATOM 670 CB GLN A 44 81.795 -8.611 39.376 1.00 0.00 C ATOM 671 CG GLN A 44 82.363 -9.976 39.772 1.00 0.00 C ATOM 672 CD GLN A 44 83.675 -9.778 40.532 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.494 -8.831 40.163 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.957 -10.494 41.472 1.00 0.00 N ATOM 0 H GLN A 44 80.428 -6.663 38.647 1.00 0.00 H new ATOM 0 HA GLN A 44 80.652 -9.416 37.726 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.516 -8.072 38.762 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.621 -8.008 40.267 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.647 -10.514 40.394 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.533 -10.584 38.883 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.316 -11.234 41.760 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.834 -10.355 41.974 1.00 0.00 H new ATOM 683 N LEU A 45 79.298 -9.037 40.711 1.00 0.00 N ATOM 684 CA LEU A 45 78.312 -9.692 41.618 1.00 0.00 C ATOM 685 C LEU A 45 76.893 -9.299 41.193 1.00 0.00 C ATOM 686 O LEU A 45 76.487 -8.163 41.341 1.00 0.00 O ATOM 687 CB LEU A 45 78.552 -9.223 43.055 1.00 0.00 C ATOM 688 CG LEU A 45 80.014 -9.461 43.454 1.00 0.00 C ATOM 689 CD1 LEU A 45 80.228 -8.965 44.887 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.345 -10.960 43.378 1.00 0.00 C ATOM 0 H LEU A 45 79.805 -8.248 41.113 1.00 0.00 H new ATOM 0 HA LEU A 45 78.429 -10.774 41.560 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.311 -8.164 43.144 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.890 -9.759 43.735 1.00 0.00 H new ATOM 0 HG LEU A 45 80.667 -8.919 42.770 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.265 -9.131 45.178 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.002 -7.900 44.941 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.570 -9.511 45.563 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.385 -11.118 43.663 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.695 -11.511 44.057 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.190 -11.316 42.359 1.00 0.00 H new ATOM 702 N LYS A 46 76.133 -10.226 40.671 1.00 0.00 N ATOM 703 CA LYS A 46 74.738 -9.901 40.240 1.00 0.00 C ATOM 704 C LYS A 46 73.766 -10.128 41.401 1.00 0.00 C ATOM 705 O LYS A 46 73.352 -9.200 42.068 1.00 0.00 O ATOM 706 CB LYS A 46 74.345 -10.787 39.054 1.00 0.00 C ATOM 707 CG LYS A 46 72.991 -10.328 38.503 1.00 0.00 C ATOM 708 CD LYS A 46 72.649 -11.131 37.246 1.00 0.00 C ATOM 709 CE LYS A 46 71.321 -10.634 36.667 1.00 0.00 C ATOM 710 NZ LYS A 46 71.529 -9.319 35.998 1.00 0.00 N ATOM 0 H LYS A 46 76.417 -11.195 40.524 1.00 0.00 H new ATOM 0 HA LYS A 46 74.692 -8.855 39.938 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.105 -10.730 38.275 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.288 -11.829 39.368 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.215 -10.465 39.256 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.024 -9.264 38.269 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.443 -11.024 36.507 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.578 -12.192 37.487 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.930 -11.359 35.953 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.580 -10.537 37.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.695 -9.087 35.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.669 -8.581 36.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.369 -9.369 35.387 1.00 0.00 H new ATOM 724 N GLY A 47 73.389 -11.355 41.640 1.00 0.00 N ATOM 725 CA GLY A 47 72.433 -11.649 42.748 1.00 0.00 C ATOM 726 C GLY A 47 73.075 -11.320 44.099 1.00 0.00 C ATOM 727 O GLY A 47 74.281 -11.341 44.246 1.00 0.00 O ATOM 0 H GLY A 47 73.703 -12.170 41.114 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.522 -11.064 42.618 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.144 -12.700 42.720 1.00 0.00 H new ATOM 731 N GLU A 48 72.276 -11.019 45.088 1.00 0.00 N ATOM 732 CA GLU A 48 72.839 -10.689 46.430 1.00 0.00 C ATOM 733 C GLU A 48 73.311 -11.968 47.122 1.00 0.00 C ATOM 734 O GLU A 48 72.655 -12.990 47.076 1.00 0.00 O ATOM 735 CB GLU A 48 71.764 -10.018 47.290 1.00 0.00 C ATOM 736 CG GLU A 48 70.586 -10.976 47.481 1.00 0.00 C ATOM 737 CD GLU A 48 69.395 -10.209 48.054 1.00 0.00 C ATOM 738 OE1 GLU A 48 69.614 -9.376 48.919 1.00 0.00 O ATOM 739 OE2 GLU A 48 68.286 -10.462 47.616 1.00 0.00 O ATOM 0 H GLU A 48 71.258 -10.987 45.025 1.00 0.00 H new ATOM 0 HA GLU A 48 73.683 -10.011 46.304 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.180 -9.740 48.258 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.424 -9.099 46.813 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.315 -11.431 46.528 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.868 -11.787 48.153 1.00 0.00 H new ATOM 746 N ALA A 49 74.445 -11.908 47.775 1.00 0.00 N ATOM 747 CA ALA A 49 74.988 -13.100 48.499 1.00 0.00 C ATOM 748 C ALA A 49 75.187 -12.727 49.966 1.00 0.00 C ATOM 749 O ALA A 49 74.853 -13.473 50.864 1.00 0.00 O ATOM 750 CB ALA A 49 76.339 -13.489 47.891 1.00 0.00 C ATOM 0 H ALA A 49 75.026 -11.072 47.838 1.00 0.00 H new ATOM 0 HA ALA A 49 74.296 -13.938 48.414 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.738 -14.357 48.416 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.207 -13.732 46.837 1.00 0.00 H new ATOM 0 HB3 ALA A 49 77.035 -12.656 47.987 1.00 0.00 H new ATOM 756 N MET A 50 75.734 -11.573 50.212 1.00 0.00 N ATOM 757 CA MET A 50 75.968 -11.139 51.614 1.00 0.00 C ATOM 758 C MET A 50 74.632 -10.908 52.321 1.00 0.00 C ATOM 759 O MET A 50 73.707 -10.355 51.761 1.00 0.00 O ATOM 760 CB MET A 50 76.779 -9.845 51.605 1.00 0.00 C ATOM 761 CG MET A 50 77.215 -9.501 53.032 1.00 0.00 C ATOM 762 SD MET A 50 78.181 -7.970 53.020 1.00 0.00 S ATOM 763 CE MET A 50 79.797 -8.721 52.700 1.00 0.00 C ATOM 0 H MET A 50 76.031 -10.908 49.498 1.00 0.00 H new ATOM 0 HA MET A 50 76.517 -11.914 52.148 1.00 0.00 H new ATOM 0 HB2 MET A 50 77.653 -9.957 50.964 1.00 0.00 H new ATOM 0 HB3 MET A 50 76.182 -9.033 51.191 1.00 0.00 H new ATOM 0 HG2 MET A 50 76.340 -9.386 53.672 1.00 0.00 H new ATOM 0 HG3 MET A 50 77.810 -10.315 53.447 1.00 0.00 H new ATOM 0 HE1 MET A 50 80.557 -7.942 52.652 1.00 0.00 H new ATOM 0 HE2 MET A 50 80.040 -9.416 53.503 1.00 0.00 H new ATOM 0 HE3 MET A 50 79.767 -9.258 51.752 1.00 0.00 H new ATOM 773 N HIS A 51 74.531 -11.332 53.551 1.00 0.00 N ATOM 774 CA HIS A 51 73.263 -11.148 54.312 1.00 0.00 C ATOM 775 C HIS A 51 73.233 -9.747 54.929 1.00 0.00 C ATOM 776 O HIS A 51 74.210 -9.025 54.905 1.00 0.00 O ATOM 777 CB HIS A 51 73.180 -12.202 55.422 1.00 0.00 C ATOM 778 CG HIS A 51 74.235 -11.933 56.463 1.00 0.00 C ATOM 779 ND1 HIS A 51 75.351 -12.746 56.619 1.00 0.00 N ATOM 780 CD2 HIS A 51 74.359 -10.942 57.406 1.00 0.00 C ATOM 781 CE1 HIS A 51 76.089 -12.234 57.623 1.00 0.00 C ATOM 782 NE2 HIS A 51 75.528 -11.136 58.133 1.00 0.00 N ATOM 0 H HIS A 51 75.277 -11.801 54.064 1.00 0.00 H new ATOM 0 HA HIS A 51 72.414 -11.262 53.638 1.00 0.00 H new ATOM 0 HB2 HIS A 51 72.191 -12.183 55.880 1.00 0.00 H new ATOM 0 HB3 HIS A 51 73.317 -13.198 55.001 1.00 0.00 H new ATOM 0 HD2 HIS A 51 73.656 -10.136 57.559 1.00 0.00 H new ATOM 0 HE1 HIS A 51 77.019 -12.659 57.972 1.00 0.00 H new ATOM 0 HE2 HIS A 51 75.883 -10.560 58.896 1.00 0.00 H new ATOM 790 N GLY A 52 72.117 -9.357 55.482 1.00 0.00 N ATOM 791 CA GLY A 52 72.026 -8.005 56.100 1.00 0.00 C ATOM 792 C GLY A 52 70.728 -7.897 56.903 1.00 0.00 C ATOM 793 O GLY A 52 70.360 -6.832 57.357 1.00 0.00 O ATOM 0 H GLY A 52 71.265 -9.916 55.532 1.00 0.00 H new ATOM 0 HA2 GLY A 52 72.884 -7.832 56.750 1.00 0.00 H new ATOM 0 HA3 GLY A 52 72.053 -7.237 55.327 1.00 0.00 H new ATOM 797 N GLN A 53 70.031 -8.995 57.077 1.00 0.00 N ATOM 798 CA GLN A 53 68.746 -8.976 57.851 1.00 0.00 C ATOM 799 C GLN A 53 68.751 -10.105 58.884 1.00 0.00 C ATOM 800 O GLN A 53 67.790 -10.836 59.025 1.00 0.00 O ATOM 801 CB GLN A 53 67.566 -9.159 56.892 1.00 0.00 C ATOM 802 CG GLN A 53 67.820 -10.351 55.965 1.00 0.00 C ATOM 803 CD GLN A 53 66.649 -10.483 54.988 1.00 0.00 C ATOM 804 OE1 GLN A 53 65.877 -9.559 54.823 1.00 0.00 O ATOM 805 NE2 GLN A 53 66.481 -11.596 54.326 1.00 0.00 N ATOM 0 H GLN A 53 70.298 -9.910 56.714 1.00 0.00 H new ATOM 0 HA GLN A 53 68.648 -8.020 58.365 1.00 0.00 H new ATOM 0 HB2 GLN A 53 66.648 -9.318 57.459 1.00 0.00 H new ATOM 0 HB3 GLN A 53 67.423 -8.254 56.302 1.00 0.00 H new ATOM 0 HG2 GLN A 53 68.752 -10.210 55.418 1.00 0.00 H new ATOM 0 HG3 GLN A 53 67.928 -11.265 56.549 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.127 -12.373 54.462 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.703 -11.688 53.672 1.00 0.00 H new ATOM 814 N VAL A 54 69.827 -10.250 59.614 1.00 0.00 N ATOM 815 CA VAL A 54 69.904 -11.327 60.647 1.00 0.00 C ATOM 816 C VAL A 54 69.560 -10.740 62.018 1.00 0.00 C ATOM 817 O VAL A 54 70.169 -9.787 62.467 1.00 0.00 O ATOM 818 CB VAL A 54 71.324 -11.893 60.688 1.00 0.00 C ATOM 819 CG1 VAL A 54 71.422 -12.950 61.788 1.00 0.00 C ATOM 820 CG2 VAL A 54 71.666 -12.531 59.338 1.00 0.00 C ATOM 0 H VAL A 54 70.660 -9.666 59.539 1.00 0.00 H new ATOM 0 HA VAL A 54 69.199 -12.120 60.397 1.00 0.00 H new ATOM 0 HB VAL A 54 72.026 -11.085 60.894 1.00 0.00 H new ATOM 0 HG11 VAL A 54 72.434 -13.353 61.816 1.00 0.00 H new ATOM 0 HG12 VAL A 54 71.185 -12.497 62.750 1.00 0.00 H new ATOM 0 HG13 VAL A 54 70.717 -13.755 61.583 1.00 0.00 H new ATOM 0 HG21 VAL A 54 72.679 -12.933 59.372 1.00 0.00 H new ATOM 0 HG22 VAL A 54 70.963 -13.337 59.128 1.00 0.00 H new ATOM 0 HG23 VAL A 54 71.600 -11.778 58.553 1.00 0.00 H new ATOM 830 N ASP A 55 68.587 -11.300 62.690 1.00 0.00 N ATOM 831 CA ASP A 55 68.198 -10.780 64.028 1.00 0.00 C ATOM 832 C ASP A 55 69.059 -11.447 65.103 1.00 0.00 C ATOM 833 O ASP A 55 68.717 -12.544 65.511 1.00 0.00 O ATOM 834 CB ASP A 55 66.726 -11.108 64.278 1.00 0.00 C ATOM 835 CG ASP A 55 65.849 -10.237 63.377 1.00 0.00 C ATOM 836 OD1 ASP A 55 66.355 -9.252 62.864 1.00 0.00 O ATOM 837 OD2 ASP A 55 64.686 -10.569 63.212 1.00 0.00 O ATOM 838 OXT ASP A 55 70.048 -10.851 65.495 1.00 0.00 O ATOM 0 H ASP A 55 68.044 -12.100 62.364 1.00 0.00 H new ATOM 0 HA ASP A 55 68.348 -9.701 64.064 1.00 0.00 H new ATOM 0 HB2 ASP A 55 66.538 -12.163 64.077 1.00 0.00 H new ATOM 0 HB3 ASP A 55 66.476 -10.934 65.325 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.984 -14.227 21.922 1.00 0.00 N ATOM 845 CA PHE B 1 92.765 -13.937 22.728 1.00 0.00 C ATOM 846 C PHE B 1 92.169 -15.250 23.248 1.00 0.00 C ATOM 847 O PHE B 1 92.548 -15.748 24.289 1.00 0.00 O ATOM 848 CB PHE B 1 91.727 -13.217 21.852 1.00 0.00 C ATOM 849 CG PHE B 1 92.075 -11.749 21.731 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.011 -11.325 20.780 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.457 -10.812 22.570 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.327 -9.965 20.668 1.00 0.00 C ATOM 853 CE2 PHE B 1 91.775 -9.454 22.457 1.00 0.00 C ATOM 854 CZ PHE B 1 92.710 -9.030 21.507 1.00 0.00 C ATOM 0 H1 PHE B 1 94.182 -13.424 21.291 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.793 -14.376 22.558 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.829 -15.084 21.354 1.00 0.00 H new ATOM 0 HA PHE B 1 93.034 -13.300 23.571 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.695 -13.674 20.863 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.734 -13.328 22.286 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.489 -12.046 20.133 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.735 -11.138 23.304 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.048 -9.637 19.933 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.298 -8.733 23.104 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.956 -7.982 21.421 1.00 0.00 H new ATOM 866 N LEU B 2 91.224 -15.800 22.535 1.00 0.00 N ATOM 867 CA LEU B 2 90.581 -17.067 22.984 1.00 0.00 C ATOM 868 C LEU B 2 91.619 -18.193 23.064 1.00 0.00 C ATOM 869 O LEU B 2 91.592 -19.008 23.965 1.00 0.00 O ATOM 870 CB LEU B 2 89.491 -17.458 21.981 1.00 0.00 C ATOM 871 CG LEU B 2 88.429 -16.352 21.896 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.454 -16.678 20.761 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.656 -16.248 23.222 1.00 0.00 C ATOM 0 H LEU B 2 90.868 -15.424 21.656 1.00 0.00 H new ATOM 0 HA LEU B 2 90.147 -16.915 23.972 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.933 -17.624 20.999 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.026 -18.396 22.285 1.00 0.00 H new ATOM 0 HG LEU B 2 88.922 -15.399 21.702 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.697 -15.896 20.696 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.999 -16.736 19.819 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.971 -17.635 20.960 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.907 -15.460 23.146 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.163 -17.198 23.431 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.349 -16.013 24.030 1.00 0.00 H new ATOM 885 N ASP B 3 92.520 -18.258 22.124 1.00 0.00 N ATOM 886 CA ASP B 3 93.540 -19.348 22.142 1.00 0.00 C ATOM 887 C ASP B 3 94.457 -19.213 23.357 1.00 0.00 C ATOM 888 O ASP B 3 94.808 -20.188 23.990 1.00 0.00 O ATOM 889 CB ASP B 3 94.380 -19.265 20.871 1.00 0.00 C ATOM 890 CG ASP B 3 93.536 -19.710 19.674 1.00 0.00 C ATOM 891 OD1 ASP B 3 93.260 -20.894 19.576 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.180 -18.858 18.876 1.00 0.00 O ATOM 0 H ASP B 3 92.596 -17.605 21.344 1.00 0.00 H new ATOM 0 HA ASP B 3 93.026 -20.308 22.197 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.734 -18.245 20.722 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.263 -19.898 20.963 1.00 0.00 H new ATOM 897 N GLY B 4 94.844 -18.017 23.695 1.00 0.00 N ATOM 898 CA GLY B 4 95.732 -17.840 24.877 1.00 0.00 C ATOM 899 C GLY B 4 95.006 -18.367 26.110 1.00 0.00 C ATOM 900 O GLY B 4 95.586 -18.988 26.978 1.00 0.00 O ATOM 0 H GLY B 4 94.586 -17.158 23.208 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.669 -18.377 24.731 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.985 -16.788 25.007 1.00 0.00 H new ATOM 904 N ILE B 5 93.731 -18.110 26.185 1.00 0.00 N ATOM 905 CA ILE B 5 92.930 -18.575 27.347 1.00 0.00 C ATOM 906 C ILE B 5 92.796 -20.102 27.337 1.00 0.00 C ATOM 907 O ILE B 5 92.854 -20.742 28.367 1.00 0.00 O ATOM 908 CB ILE B 5 91.547 -17.921 27.274 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.690 -16.428 27.583 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.600 -18.570 28.286 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.406 -15.695 27.195 1.00 0.00 C ATOM 0 H ILE B 5 93.205 -17.591 25.482 1.00 0.00 H new ATOM 0 HA ILE B 5 93.430 -18.291 28.273 1.00 0.00 H new ATOM 0 HB ILE B 5 91.133 -18.057 26.275 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.895 -16.285 28.644 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.536 -16.013 27.036 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.621 -18.096 28.224 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.503 -19.633 28.064 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.001 -18.444 29.292 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.512 -14.633 27.417 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.220 -15.826 26.129 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.569 -16.102 27.762 1.00 0.00 H new ATOM 923 N ASP B 6 92.604 -20.690 26.191 1.00 0.00 N ATOM 924 CA ASP B 6 92.455 -22.173 26.139 1.00 0.00 C ATOM 925 C ASP B 6 93.710 -22.846 26.689 1.00 0.00 C ATOM 926 O ASP B 6 93.635 -23.723 27.527 1.00 0.00 O ATOM 927 CB ASP B 6 92.230 -22.617 24.694 1.00 0.00 C ATOM 928 CG ASP B 6 92.077 -24.140 24.647 1.00 0.00 C ATOM 929 OD1 ASP B 6 93.079 -24.820 24.793 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.961 -24.600 24.467 1.00 0.00 O ATOM 0 H ASP B 6 92.544 -20.213 25.292 1.00 0.00 H new ATOM 0 HA ASP B 6 91.599 -22.464 26.747 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.338 -22.138 24.290 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.069 -22.305 24.072 1.00 0.00 H new ATOM 935 N LYS B 7 94.863 -22.448 26.237 1.00 0.00 N ATOM 936 CA LYS B 7 96.103 -23.083 26.758 1.00 0.00 C ATOM 937 C LYS B 7 96.241 -22.729 28.240 1.00 0.00 C ATOM 938 O LYS B 7 96.614 -23.546 29.059 1.00 0.00 O ATOM 939 CB LYS B 7 97.314 -22.542 25.990 1.00 0.00 C ATOM 940 CG LYS B 7 97.283 -23.060 24.551 1.00 0.00 C ATOM 941 CD LYS B 7 98.493 -22.518 23.790 1.00 0.00 C ATOM 942 CE LYS B 7 98.461 -23.033 22.349 1.00 0.00 C ATOM 943 NZ LYS B 7 99.477 -22.307 21.536 1.00 0.00 N ATOM 0 H LYS B 7 95.001 -21.719 25.537 1.00 0.00 H new ATOM 0 HA LYS B 7 96.053 -24.165 26.633 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.303 -21.452 25.995 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.237 -22.854 26.480 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.294 -24.150 24.545 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.361 -22.748 24.060 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.483 -21.428 23.798 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.415 -22.832 24.280 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.663 -24.104 22.330 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.468 -22.889 21.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.454 -22.658 20.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.265 -21.289 21.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.422 -22.467 21.939 1.00 0.00 H new ATOM 957 N ALA B 8 95.926 -21.511 28.584 1.00 0.00 N ATOM 958 CA ALA B 8 96.015 -21.073 30.004 1.00 0.00 C ATOM 959 C ALA B 8 94.906 -21.730 30.835 1.00 0.00 C ATOM 960 O ALA B 8 95.043 -21.916 32.029 1.00 0.00 O ATOM 961 CB ALA B 8 95.874 -19.551 30.071 1.00 0.00 C ATOM 0 H ALA B 8 95.607 -20.793 27.934 1.00 0.00 H new ATOM 0 HA ALA B 8 96.981 -21.373 30.410 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.938 -19.225 31.109 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.673 -19.086 29.494 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.909 -19.256 29.657 1.00 0.00 H new ATOM 967 N GLN B 9 93.800 -22.068 30.224 1.00 0.00 N ATOM 968 CA GLN B 9 92.684 -22.688 30.997 1.00 0.00 C ATOM 969 C GLN B 9 93.157 -24.002 31.620 1.00 0.00 C ATOM 970 O GLN B 9 93.860 -24.778 31.004 1.00 0.00 O ATOM 971 CB GLN B 9 91.498 -22.959 30.066 1.00 0.00 C ATOM 972 CG GLN B 9 90.282 -23.367 30.899 1.00 0.00 C ATOM 973 CD GLN B 9 89.080 -23.599 29.980 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.325 -22.687 29.707 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.864 -24.791 29.496 1.00 0.00 N ATOM 0 H GLN B 9 93.622 -21.942 29.228 1.00 0.00 H new ATOM 0 HA GLN B 9 92.373 -22.005 31.787 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.270 -22.068 29.481 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.750 -23.749 29.359 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.502 -24.274 31.461 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.051 -22.589 31.627 1.00 0.00 H new ATOM 0 HE21 GLN B 9 89.498 -25.557 29.725 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.062 -24.957 28.889 1.00 0.00 H new ATOM 984 N GLU B 10 92.777 -24.248 32.846 1.00 0.00 N ATOM 985 CA GLU B 10 93.203 -25.502 33.532 1.00 0.00 C ATOM 986 C GLU B 10 92.467 -25.601 34.873 1.00 0.00 C ATOM 987 O GLU B 10 91.858 -24.651 35.323 1.00 0.00 O ATOM 988 CB GLU B 10 94.718 -25.456 33.768 1.00 0.00 C ATOM 989 CG GLU B 10 95.235 -26.856 34.104 1.00 0.00 C ATOM 990 CD GLU B 10 96.764 -26.834 34.144 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.336 -25.883 33.635 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.338 -27.767 34.680 1.00 0.00 O ATOM 0 H GLU B 10 92.187 -23.631 33.404 1.00 0.00 H new ATOM 0 HA GLU B 10 92.964 -26.371 32.919 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.222 -25.076 32.879 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.947 -24.769 34.582 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.839 -27.181 35.066 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.889 -27.572 33.359 1.00 0.00 H new ATOM 999 N GLU B 11 92.498 -26.741 35.510 1.00 0.00 N ATOM 1000 CA GLU B 11 91.775 -26.876 36.809 1.00 0.00 C ATOM 1001 C GLU B 11 92.295 -25.826 37.802 1.00 0.00 C ATOM 1002 O GLU B 11 93.309 -25.195 37.577 1.00 0.00 O ATOM 1003 CB GLU B 11 91.957 -28.296 37.368 1.00 0.00 C ATOM 1004 CG GLU B 11 93.401 -28.518 37.826 1.00 0.00 C ATOM 1005 CD GLU B 11 93.573 -29.977 38.255 1.00 0.00 C ATOM 1006 OE1 GLU B 11 92.736 -30.456 39.003 1.00 0.00 O ATOM 1007 OE2 GLU B 11 94.537 -30.590 37.829 1.00 0.00 O ATOM 0 H GLU B 11 92.987 -27.577 35.192 1.00 0.00 H new ATOM 0 HA GLU B 11 90.710 -26.706 36.651 1.00 0.00 H new ATOM 0 HB2 GLU B 11 91.277 -28.452 38.205 1.00 0.00 H new ATOM 0 HB3 GLU B 11 91.696 -29.029 36.604 1.00 0.00 H new ATOM 0 HG2 GLU B 11 94.092 -28.280 37.018 1.00 0.00 H new ATOM 0 HG3 GLU B 11 93.639 -27.852 38.655 1.00 0.00 H new ATOM 1014 N HIS B 12 91.590 -25.613 38.883 1.00 0.00 N ATOM 1015 CA HIS B 12 92.023 -24.579 39.874 1.00 0.00 C ATOM 1016 C HIS B 12 93.246 -25.069 40.654 1.00 0.00 C ATOM 1017 O HIS B 12 93.130 -25.729 41.667 1.00 0.00 O ATOM 1018 CB HIS B 12 90.869 -24.312 40.843 1.00 0.00 C ATOM 1019 CG HIS B 12 91.201 -23.150 41.739 1.00 0.00 C ATOM 1020 ND1 HIS B 12 91.025 -21.831 41.341 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.668 -23.092 43.029 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.375 -21.041 42.375 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.773 -21.763 43.426 1.00 0.00 N ATOM 0 H HIS B 12 90.732 -26.110 39.124 1.00 0.00 H new ATOM 0 HA HIS B 12 92.291 -23.663 39.348 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.957 -24.101 40.285 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.676 -25.201 41.444 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.916 -23.947 43.641 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.338 -19.962 42.356 1.00 0.00 H new ATOM 0 HE2 HIS B 12 92.088 -21.413 44.331 1.00 0.00 H new ATOM 1031 N GLU B 13 94.422 -24.739 40.182 1.00 0.00 N ATOM 1032 CA GLU B 13 95.678 -25.166 40.875 1.00 0.00 C ATOM 1033 C GLU B 13 96.253 -23.993 41.673 1.00 0.00 C ATOM 1034 O GLU B 13 95.585 -23.012 41.933 1.00 0.00 O ATOM 1035 CB GLU B 13 96.706 -25.593 39.830 1.00 0.00 C ATOM 1036 CG GLU B 13 96.114 -26.690 38.948 1.00 0.00 C ATOM 1037 CD GLU B 13 97.184 -27.202 37.981 1.00 0.00 C ATOM 1038 OE1 GLU B 13 98.201 -26.540 37.849 1.00 0.00 O ATOM 1039 OE2 GLU B 13 96.969 -28.247 37.390 1.00 0.00 O ATOM 0 H GLU B 13 94.568 -24.186 39.337 1.00 0.00 H new ATOM 0 HA GLU B 13 95.453 -25.994 41.547 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.995 -24.738 39.219 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.610 -25.955 40.321 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.746 -27.509 39.566 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.261 -26.302 38.391 1.00 0.00 H new ATOM 1046 N LYS B 14 97.504 -24.087 42.042 1.00 0.00 N ATOM 1047 CA LYS B 14 98.148 -22.979 42.799 1.00 0.00 C ATOM 1048 C LYS B 14 98.312 -21.792 41.848 1.00 0.00 C ATOM 1049 O LYS B 14 98.269 -20.644 42.246 1.00 0.00 O ATOM 1050 CB LYS B 14 99.526 -23.431 43.296 1.00 0.00 C ATOM 1051 CG LYS B 14 99.355 -24.509 44.368 1.00 0.00 C ATOM 1052 CD LYS B 14 100.731 -24.963 44.866 1.00 0.00 C ATOM 1053 CE LYS B 14 100.552 -26.040 45.937 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.850 -25.458 47.116 1.00 0.00 N ATOM 0 H LYS B 14 98.107 -24.887 41.850 1.00 0.00 H new ATOM 0 HA LYS B 14 97.537 -22.699 43.657 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.114 -23.820 42.465 1.00 0.00 H new ATOM 0 HB3 LYS B 14 100.074 -22.581 43.704 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.767 -24.119 45.199 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.807 -25.358 43.960 1.00 0.00 H new ATOM 0 HD2 LYS B 14 101.320 -25.354 44.036 1.00 0.00 H new ATOM 0 HD3 LYS B 14 101.280 -24.115 45.275 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.979 -26.876 45.535 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.523 -26.434 46.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.035 -26.044 47.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.197 -24.492 47.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 98.827 -25.430 46.932 1.00 0.00 H new ATOM 1068 N TYR B 15 98.496 -22.076 40.587 1.00 0.00 N ATOM 1069 CA TYR B 15 98.658 -20.996 39.574 1.00 0.00 C ATOM 1070 C TYR B 15 97.403 -20.117 39.564 1.00 0.00 C ATOM 1071 O TYR B 15 97.480 -18.912 39.434 1.00 0.00 O ATOM 1072 CB TYR B 15 98.867 -21.628 38.192 1.00 0.00 C ATOM 1073 CG TYR B 15 100.300 -22.093 38.069 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.300 -21.186 37.704 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.627 -23.429 38.333 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.628 -21.613 37.598 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.955 -23.858 38.229 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.957 -22.950 37.862 1.00 0.00 C ATOM 1079 OH TYR B 15 104.266 -23.371 37.760 1.00 0.00 O ATOM 0 H TYR B 15 98.541 -23.023 40.212 1.00 0.00 H new ATOM 0 HA TYR B 15 99.523 -20.381 39.822 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.187 -22.469 38.057 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.639 -20.904 37.410 1.00 0.00 H new ATOM 0 HD1 TYR B 15 101.047 -20.155 37.504 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.854 -24.128 38.617 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.399 -20.913 37.313 1.00 0.00 H new ATOM 0 HE2 TYR B 15 102.207 -24.888 38.432 1.00 0.00 H new ATOM 0 HH TYR B 15 104.321 -24.325 37.977 1.00 0.00 H new ATOM 1089 N HIS B 16 96.248 -20.710 39.703 1.00 0.00 N ATOM 1090 CA HIS B 16 94.991 -19.908 39.701 1.00 0.00 C ATOM 1091 C HIS B 16 95.037 -18.902 40.854 1.00 0.00 C ATOM 1092 O HIS B 16 94.621 -17.770 40.710 1.00 0.00 O ATOM 1093 CB HIS B 16 93.777 -20.840 39.875 1.00 0.00 C ATOM 1094 CG HIS B 16 93.356 -21.406 38.545 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.020 -21.600 38.212 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.077 -21.818 37.452 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.981 -22.109 36.968 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.207 -22.259 36.462 1.00 0.00 N ATOM 0 H HIS B 16 96.121 -21.715 39.818 1.00 0.00 H new ATOM 0 HA HIS B 16 94.898 -19.377 38.753 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.028 -21.650 40.560 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.949 -20.290 40.322 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.154 -21.802 37.373 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.072 -22.364 36.444 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.454 -22.622 35.541 1.00 0.00 H new ATOM 1106 N SER B 17 95.534 -19.294 41.993 1.00 0.00 N ATOM 1107 CA SER B 17 95.586 -18.331 43.126 1.00 0.00 C ATOM 1108 C SER B 17 96.441 -17.133 42.710 1.00 0.00 C ATOM 1109 O SER B 17 96.100 -15.998 42.980 1.00 0.00 O ATOM 1110 CB SER B 17 96.217 -19.012 44.343 1.00 0.00 C ATOM 1111 OG SER B 17 97.587 -19.288 44.073 1.00 0.00 O ATOM 0 H SER B 17 95.901 -20.226 42.187 1.00 0.00 H new ATOM 0 HA SER B 17 94.580 -17.999 43.382 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.130 -18.369 45.219 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.687 -19.936 44.572 1.00 0.00 H new ATOM 0 HG SER B 17 97.659 -20.123 43.565 1.00 0.00 H new ATOM 1117 N ASN B 18 97.535 -17.373 42.031 1.00 0.00 N ATOM 1118 CA ASN B 18 98.407 -16.250 41.564 1.00 0.00 C ATOM 1119 C ASN B 18 98.246 -16.074 40.051 1.00 0.00 C ATOM 1120 O ASN B 18 98.964 -16.670 39.273 1.00 0.00 O ATOM 1121 CB ASN B 18 99.865 -16.582 41.874 1.00 0.00 C ATOM 1122 CG ASN B 18 100.046 -16.700 43.385 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.489 -17.719 43.876 1.00 0.00 O ATOM 1124 ND2 ASN B 18 99.720 -15.695 44.152 1.00 0.00 N ATOM 0 H ASN B 18 97.864 -18.305 41.778 1.00 0.00 H new ATOM 0 HA ASN B 18 98.119 -15.330 42.074 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.148 -17.516 41.388 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.519 -15.805 41.478 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.837 -15.766 45.163 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.348 -14.839 43.740 1.00 0.00 H new ATOM 1131 N TRP B 19 97.321 -15.261 39.624 1.00 0.00 N ATOM 1132 CA TRP B 19 97.141 -15.056 38.161 1.00 0.00 C ATOM 1133 C TRP B 19 98.332 -14.273 37.598 1.00 0.00 C ATOM 1134 O TRP B 19 98.648 -14.364 36.427 1.00 0.00 O ATOM 1135 CB TRP B 19 95.828 -14.312 37.883 1.00 0.00 C ATOM 1136 CG TRP B 19 95.853 -12.951 38.494 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.252 -12.619 39.656 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.483 -11.735 37.995 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.473 -11.277 39.908 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.229 -10.688 38.914 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.245 -11.440 36.849 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 96.711 -9.397 38.702 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 97.732 -10.142 36.635 1.00 0.00 C ATOM 1144 CH2 TRP B 19 97.465 -9.122 37.560 1.00 0.00 C ATOM 0 H TRP B 19 96.685 -14.732 40.221 1.00 0.00 H new ATOM 0 HA TRP B 19 97.093 -16.027 37.669 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.671 -14.230 36.807 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.990 -14.881 38.285 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.690 -13.292 40.287 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.121 -10.783 40.728 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.456 -12.218 36.130 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.502 -8.615 39.417 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.316 -9.927 35.753 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.842 -8.125 37.389 1.00 0.00 H new ATOM 1155 N ARG B 20 98.992 -13.493 38.416 1.00 0.00 N ATOM 1156 CA ARG B 20 100.153 -12.696 37.918 1.00 0.00 C ATOM 1157 C ARG B 20 101.248 -13.628 37.386 1.00 0.00 C ATOM 1158 O ARG B 20 101.866 -13.352 36.376 1.00 0.00 O ATOM 1159 CB ARG B 20 100.722 -11.853 39.068 1.00 0.00 C ATOM 1160 CG ARG B 20 99.737 -10.739 39.430 1.00 0.00 C ATOM 1161 CD ARG B 20 100.260 -9.952 40.634 1.00 0.00 C ATOM 1162 NE ARG B 20 101.548 -9.291 40.283 1.00 0.00 N ATOM 1163 CZ ARG B 20 102.012 -8.332 41.036 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.347 -7.954 42.093 1.00 0.00 N ATOM 1165 NH2 ARG B 20 103.139 -7.750 40.731 1.00 0.00 N ATOM 0 H ARG B 20 98.777 -13.374 39.406 1.00 0.00 H new ATOM 0 HA ARG B 20 99.815 -12.046 37.111 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.907 -12.484 39.937 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.680 -11.423 38.777 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.601 -10.071 38.579 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.761 -11.165 39.660 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.527 -9.204 40.937 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.403 -10.621 41.483 1.00 0.00 H new ATOM 0 HE ARG B 20 102.066 -9.588 39.456 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.465 -8.408 42.330 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.709 -7.204 42.682 1.00 0.00 H new ATOM 0 HH21 ARG B 20 103.658 -8.045 39.904 1.00 0.00 H new ATOM 0 HH22 ARG B 20 103.502 -7.000 41.320 1.00 0.00 H new ATOM 1179 N ALA B 21 101.495 -14.725 38.047 1.00 0.00 N ATOM 1180 CA ALA B 21 102.554 -15.659 37.559 1.00 0.00 C ATOM 1181 C ALA B 21 102.147 -16.228 36.200 1.00 0.00 C ATOM 1182 O ALA B 21 102.956 -16.369 35.305 1.00 0.00 O ATOM 1183 CB ALA B 21 102.727 -16.805 38.560 1.00 0.00 C ATOM 0 H ALA B 21 101.014 -15.016 38.898 1.00 0.00 H new ATOM 0 HA ALA B 21 103.495 -15.118 37.459 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.500 -17.486 38.203 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.019 -16.401 39.529 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.786 -17.345 38.661 1.00 0.00 H new ATOM 1189 N MET B 22 100.894 -16.548 36.039 1.00 0.00 N ATOM 1190 CA MET B 22 100.421 -17.104 34.740 1.00 0.00 C ATOM 1191 C MET B 22 100.603 -16.051 33.644 1.00 0.00 C ATOM 1192 O MET B 22 101.000 -16.357 32.537 1.00 0.00 O ATOM 1193 CB MET B 22 98.942 -17.480 34.882 1.00 0.00 C ATOM 1194 CG MET B 22 98.474 -18.283 33.663 1.00 0.00 C ATOM 1195 SD MET B 22 98.310 -17.192 32.225 1.00 0.00 S ATOM 1196 CE MET B 22 96.946 -16.171 32.842 1.00 0.00 C ATOM 0 H MET B 22 100.174 -16.448 36.754 1.00 0.00 H new ATOM 0 HA MET B 22 100.995 -17.990 34.470 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.795 -18.066 35.789 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.339 -16.578 34.984 1.00 0.00 H new ATOM 0 HG2 MET B 22 99.187 -19.079 33.446 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.518 -18.761 33.878 1.00 0.00 H new ATOM 0 HE1 MET B 22 96.377 -15.777 32.000 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.293 -16.777 33.470 1.00 0.00 H new ATOM 0 HE3 MET B 22 97.347 -15.344 33.428 1.00 0.00 H new ATOM 1206 N ALA B 23 100.327 -14.812 33.944 1.00 0.00 N ATOM 1207 CA ALA B 23 100.495 -13.744 32.917 1.00 0.00 C ATOM 1208 C ALA B 23 101.958 -13.695 32.470 1.00 0.00 C ATOM 1209 O ALA B 23 102.258 -13.564 31.301 1.00 0.00 O ATOM 1210 CB ALA B 23 100.105 -12.395 33.529 1.00 0.00 C ATOM 0 H ALA B 23 99.993 -14.493 34.853 1.00 0.00 H new ATOM 0 HA ALA B 23 99.859 -13.956 32.057 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.225 -11.609 32.784 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.065 -12.430 33.855 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.746 -12.185 34.385 1.00 0.00 H new ATOM 1216 N SER B 24 102.871 -13.799 33.396 1.00 0.00 N ATOM 1217 CA SER B 24 104.317 -13.759 33.032 1.00 0.00 C ATOM 1218 C SER B 24 104.696 -15.006 32.230 1.00 0.00 C ATOM 1219 O SER B 24 105.462 -14.942 31.288 1.00 0.00 O ATOM 1220 CB SER B 24 105.159 -13.706 34.306 1.00 0.00 C ATOM 1221 OG SER B 24 104.865 -12.508 35.013 1.00 0.00 O ATOM 0 H SER B 24 102.678 -13.910 34.391 1.00 0.00 H new ATOM 0 HA SER B 24 104.504 -12.874 32.424 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.947 -14.573 34.932 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.219 -13.744 34.057 1.00 0.00 H new ATOM 0 HG SER B 24 105.402 -12.471 35.832 1.00 0.00 H new ATOM 1227 N ASP B 25 104.178 -16.142 32.604 1.00 0.00 N ATOM 1228 CA ASP B 25 104.523 -17.395 31.875 1.00 0.00 C ATOM 1229 C ASP B 25 104.083 -17.283 30.414 1.00 0.00 C ATOM 1230 O ASP B 25 104.782 -17.706 29.514 1.00 0.00 O ATOM 1231 CB ASP B 25 103.807 -18.575 32.534 1.00 0.00 C ATOM 1232 CG ASP B 25 104.421 -18.844 33.910 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.577 -19.231 33.956 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.725 -18.657 34.895 1.00 0.00 O ATOM 0 H ASP B 25 103.530 -16.258 33.383 1.00 0.00 H new ATOM 0 HA ASP B 25 105.601 -17.551 31.913 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.744 -18.358 32.635 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.893 -19.462 31.906 1.00 0.00 H new ATOM 1239 N PHE B 26 102.936 -16.708 30.168 1.00 0.00 N ATOM 1240 CA PHE B 26 102.450 -16.560 28.760 1.00 0.00 C ATOM 1241 C PHE B 26 102.769 -15.149 28.263 1.00 0.00 C ATOM 1242 O PHE B 26 102.487 -14.797 27.136 1.00 0.00 O ATOM 1243 CB PHE B 26 100.939 -16.801 28.717 1.00 0.00 C ATOM 1244 CG PHE B 26 100.661 -18.274 28.927 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.727 -18.832 30.214 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.337 -19.084 27.830 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.468 -20.197 30.396 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.080 -20.447 28.016 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.144 -21.003 29.298 1.00 0.00 C ATOM 0 H PHE B 26 102.311 -16.333 30.882 1.00 0.00 H new ATOM 0 HA PHE B 26 102.946 -17.288 28.118 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.443 -16.212 29.489 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.534 -16.476 27.759 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.977 -18.211 31.061 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.286 -18.656 26.840 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.518 -20.628 31.385 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.832 -21.070 27.169 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.943 -22.055 29.441 1.00 0.00 H new ATOM 1259 N ASN B 27 103.374 -14.348 29.099 1.00 0.00 N ATOM 1260 CA ASN B 27 103.741 -12.959 28.693 1.00 0.00 C ATOM 1261 C ASN B 27 102.510 -12.199 28.188 1.00 0.00 C ATOM 1262 O ASN B 27 102.559 -11.547 27.165 1.00 0.00 O ATOM 1263 CB ASN B 27 104.802 -13.007 27.589 1.00 0.00 C ATOM 1264 CG ASN B 27 106.048 -13.727 28.107 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.608 -14.565 27.428 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.512 -13.433 29.290 1.00 0.00 N ATOM 0 H ASN B 27 103.632 -14.598 30.054 1.00 0.00 H new ATOM 0 HA ASN B 27 104.140 -12.438 29.563 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.408 -13.524 26.714 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.059 -11.996 27.273 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.344 -13.906 29.644 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.043 -12.730 29.861 1.00 0.00 H new ATOM 1273 N LEU B 28 101.412 -12.265 28.905 1.00 0.00 N ATOM 1274 CA LEU B 28 100.170 -11.534 28.482 1.00 0.00 C ATOM 1275 C LEU B 28 99.821 -10.508 29.568 1.00 0.00 C ATOM 1276 O LEU B 28 100.137 -10.708 30.722 1.00 0.00 O ATOM 1277 CB LEU B 28 99.017 -12.537 28.348 1.00 0.00 C ATOM 1278 CG LEU B 28 99.314 -13.539 27.219 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.436 -14.781 27.391 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.010 -12.909 25.851 1.00 0.00 C ATOM 0 H LEU B 28 101.321 -12.797 29.771 1.00 0.00 H new ATOM 0 HA LEU B 28 100.331 -11.034 27.527 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.877 -13.069 29.289 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.087 -12.008 28.139 1.00 0.00 H new ATOM 0 HG LEU B 28 100.368 -13.812 27.267 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.648 -15.490 26.590 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.649 -15.246 28.353 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.386 -14.492 27.352 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.225 -13.630 25.062 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.958 -12.626 25.807 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.631 -12.024 25.712 1.00 0.00 H new ATOM 1292 N PRO B 29 99.179 -9.414 29.223 1.00 0.00 N ATOM 1293 CA PRO B 29 98.809 -8.376 30.229 1.00 0.00 C ATOM 1294 C PRO B 29 97.705 -8.883 31.178 1.00 0.00 C ATOM 1295 O PRO B 29 96.896 -9.706 30.797 1.00 0.00 O ATOM 1296 CB PRO B 29 98.309 -7.200 29.376 1.00 0.00 C ATOM 1297 CG PRO B 29 97.832 -7.826 28.105 1.00 0.00 C ATOM 1298 CD PRO B 29 98.739 -9.037 27.865 1.00 0.00 C ATOM 0 HA PRO B 29 99.644 -8.103 30.875 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.505 -6.661 29.878 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.106 -6.481 29.188 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.789 -8.130 28.187 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.894 -7.121 27.276 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.202 -9.850 27.377 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.584 -8.784 27.225 1.00 0.00 H new ATOM 1306 N PRO B 30 97.664 -8.405 32.402 1.00 0.00 N ATOM 1307 CA PRO B 30 96.633 -8.838 33.389 1.00 0.00 C ATOM 1308 C PRO B 30 95.236 -8.970 32.766 1.00 0.00 C ATOM 1309 O PRO B 30 94.374 -9.637 33.295 1.00 0.00 O ATOM 1310 CB PRO B 30 96.647 -7.711 34.430 1.00 0.00 C ATOM 1311 CG PRO B 30 98.044 -7.173 34.407 1.00 0.00 C ATOM 1312 CD PRO B 30 98.586 -7.406 32.987 1.00 0.00 C ATOM 0 HA PRO B 30 96.853 -9.824 33.798 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.922 -6.936 34.181 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.386 -8.086 35.420 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.054 -6.112 34.655 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.665 -7.679 35.146 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.592 -6.483 32.407 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.611 -7.776 33.008 1.00 0.00 H new ATOM 1320 N VAL B 31 94.997 -8.321 31.662 1.00 0.00 N ATOM 1321 CA VAL B 31 93.643 -8.389 31.046 1.00 0.00 C ATOM 1322 C VAL B 31 93.269 -9.825 30.688 1.00 0.00 C ATOM 1323 O VAL B 31 92.199 -10.291 31.028 1.00 0.00 O ATOM 1324 CB VAL B 31 93.631 -7.521 29.781 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.348 -7.764 28.971 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.709 -6.049 30.189 1.00 0.00 C ATOM 0 H VAL B 31 95.677 -7.749 31.161 1.00 0.00 H new ATOM 0 HA VAL B 31 92.911 -8.022 31.766 1.00 0.00 H new ATOM 0 HB VAL B 31 94.487 -7.784 29.159 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.358 -7.139 28.078 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.295 -8.813 28.680 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.480 -7.512 29.580 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.701 -5.423 29.297 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.852 -5.799 30.815 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.629 -5.874 30.747 1.00 0.00 H new ATOM 1336 N VAL B 32 94.116 -10.533 30.010 1.00 0.00 N ATOM 1337 CA VAL B 32 93.756 -11.930 29.654 1.00 0.00 C ATOM 1338 C VAL B 32 93.723 -12.772 30.931 1.00 0.00 C ATOM 1339 O VAL B 32 92.857 -13.604 31.122 1.00 0.00 O ATOM 1340 CB VAL B 32 94.790 -12.493 28.680 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.558 -13.993 28.487 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.652 -11.773 27.339 1.00 0.00 C ATOM 0 H VAL B 32 95.030 -10.215 29.689 1.00 0.00 H new ATOM 0 HA VAL B 32 92.776 -11.953 29.177 1.00 0.00 H new ATOM 0 HB VAL B 32 95.792 -12.339 29.080 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.298 -14.389 27.792 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.652 -14.502 29.446 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.558 -14.158 28.086 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.386 -12.168 26.637 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.649 -11.931 26.943 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.822 -10.706 27.480 1.00 0.00 H new ATOM 1352 N ALA B 33 94.665 -12.556 31.805 1.00 0.00 N ATOM 1353 CA ALA B 33 94.707 -13.329 33.077 1.00 0.00 C ATOM 1354 C ALA B 33 93.451 -13.040 33.910 1.00 0.00 C ATOM 1355 O ALA B 33 92.836 -13.938 34.448 1.00 0.00 O ATOM 1356 CB ALA B 33 95.963 -12.938 33.856 1.00 0.00 C ATOM 0 H ALA B 33 95.413 -11.872 31.692 1.00 0.00 H new ATOM 0 HA ALA B 33 94.735 -14.396 32.857 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.002 -13.500 34.789 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.847 -13.165 33.259 1.00 0.00 H new ATOM 0 HB3 ALA B 33 95.937 -11.871 34.076 1.00 0.00 H new ATOM 1362 N LYS B 34 93.056 -11.797 34.013 1.00 0.00 N ATOM 1363 CA LYS B 34 91.831 -11.468 34.800 1.00 0.00 C ATOM 1364 C LYS B 34 90.613 -12.170 34.192 1.00 0.00 C ATOM 1365 O LYS B 34 89.731 -12.617 34.896 1.00 0.00 O ATOM 1366 CB LYS B 34 91.611 -9.953 34.838 1.00 0.00 C ATOM 1367 CG LYS B 34 92.622 -9.315 35.798 1.00 0.00 C ATOM 1368 CD LYS B 34 92.408 -7.802 35.841 1.00 0.00 C ATOM 1369 CE LYS B 34 93.422 -7.176 36.802 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.334 -5.691 36.723 1.00 0.00 N ATOM 0 H LYS B 34 93.527 -10.999 33.588 1.00 0.00 H new ATOM 0 HA LYS B 34 91.965 -11.821 35.822 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.726 -9.533 33.839 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.594 -9.730 35.162 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.506 -9.737 36.796 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.638 -9.539 35.473 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.525 -7.378 34.844 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.393 -7.576 36.167 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.225 -7.508 37.821 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.430 -7.505 36.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.023 -5.267 37.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.542 -5.382 35.752 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.375 -5.386 36.986 1.00 0.00 H new ATOM 1384 N GLU B 35 90.541 -12.259 32.892 1.00 0.00 N ATOM 1385 CA GLU B 35 89.360 -12.924 32.271 1.00 0.00 C ATOM 1386 C GLU B 35 89.277 -14.373 32.758 1.00 0.00 C ATOM 1387 O GLU B 35 88.211 -14.867 33.066 1.00 0.00 O ATOM 1388 CB GLU B 35 89.505 -12.913 30.747 1.00 0.00 C ATOM 1389 CG GLU B 35 88.270 -13.559 30.101 1.00 0.00 C ATOM 1390 CD GLU B 35 88.371 -15.090 30.164 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.473 -15.590 30.322 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.341 -15.734 30.051 1.00 0.00 O ATOM 0 H GLU B 35 91.240 -11.905 32.239 1.00 0.00 H new ATOM 0 HA GLU B 35 88.455 -12.388 32.555 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.619 -11.889 30.391 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.405 -13.454 30.454 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.368 -13.226 30.614 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.184 -13.236 29.063 1.00 0.00 H new ATOM 1399 N ILE B 36 90.384 -15.060 32.849 1.00 0.00 N ATOM 1400 CA ILE B 36 90.328 -16.466 33.336 1.00 0.00 C ATOM 1401 C ILE B 36 89.797 -16.450 34.768 1.00 0.00 C ATOM 1402 O ILE B 36 89.002 -17.279 35.163 1.00 0.00 O ATOM 1403 CB ILE B 36 91.726 -17.087 33.323 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.243 -17.161 31.882 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.653 -18.501 33.906 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.728 -17.534 31.884 1.00 0.00 C ATOM 0 H ILE B 36 91.313 -14.713 32.610 1.00 0.00 H new ATOM 0 HA ILE B 36 89.679 -17.056 32.689 1.00 0.00 H new ATOM 0 HB ILE B 36 92.402 -16.474 33.920 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.673 -17.900 31.319 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.100 -16.202 31.385 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.647 -18.949 33.899 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.283 -18.454 34.930 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.977 -19.108 33.304 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.092 -17.586 30.858 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.292 -16.779 32.431 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.859 -18.504 32.364 1.00 0.00 H new ATOM 1418 N VAL B 37 90.229 -15.493 35.542 1.00 0.00 N ATOM 1419 CA VAL B 37 89.757 -15.384 36.950 1.00 0.00 C ATOM 1420 C VAL B 37 88.249 -15.135 36.961 1.00 0.00 C ATOM 1421 O VAL B 37 87.524 -15.665 37.779 1.00 0.00 O ATOM 1422 CB VAL B 37 90.483 -14.218 37.635 1.00 0.00 C ATOM 1423 CG1 VAL B 37 89.834 -13.907 38.998 1.00 0.00 C ATOM 1424 CG2 VAL B 37 91.953 -14.595 37.840 1.00 0.00 C ATOM 0 H VAL B 37 90.895 -14.775 35.256 1.00 0.00 H new ATOM 0 HA VAL B 37 89.971 -16.309 37.486 1.00 0.00 H new ATOM 0 HB VAL B 37 90.410 -13.332 37.005 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.360 -13.078 39.471 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.789 -13.636 38.850 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.893 -14.787 39.638 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.475 -13.771 38.326 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.016 -15.485 38.466 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.415 -14.798 36.874 1.00 0.00 H new ATOM 1434 N ALA B 38 87.778 -14.321 36.061 1.00 0.00 N ATOM 1435 CA ALA B 38 86.323 -14.016 36.007 1.00 0.00 C ATOM 1436 C ALA B 38 85.537 -15.288 35.678 1.00 0.00 C ATOM 1437 O ALA B 38 84.472 -15.525 36.212 1.00 0.00 O ATOM 1438 CB ALA B 38 86.066 -12.966 34.927 1.00 0.00 C ATOM 0 H ALA B 38 88.343 -13.850 35.355 1.00 0.00 H new ATOM 0 HA ALA B 38 85.999 -13.635 36.975 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.000 -12.740 34.885 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.620 -12.058 35.163 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.394 -13.350 33.961 1.00 0.00 H new ATOM 1444 N SER B 39 86.044 -16.099 34.793 1.00 0.00 N ATOM 1445 CA SER B 39 85.310 -17.343 34.425 1.00 0.00 C ATOM 1446 C SER B 39 85.397 -18.365 35.560 1.00 0.00 C ATOM 1447 O SER B 39 84.437 -19.041 35.866 1.00 0.00 O ATOM 1448 CB SER B 39 85.927 -17.937 33.161 1.00 0.00 C ATOM 1449 OG SER B 39 85.674 -17.067 32.066 1.00 0.00 O ATOM 0 H SER B 39 86.931 -15.956 34.310 1.00 0.00 H new ATOM 0 HA SER B 39 84.263 -17.099 34.248 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.000 -18.071 33.294 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.505 -18.922 32.964 1.00 0.00 H new ATOM 0 HG SER B 39 86.522 -16.824 31.639 1.00 0.00 H new ATOM 1455 N CYS B 40 86.531 -18.484 36.192 1.00 0.00 N ATOM 1456 CA CYS B 40 86.650 -19.468 37.306 1.00 0.00 C ATOM 1457 C CYS B 40 85.970 -18.899 38.553 1.00 0.00 C ATOM 1458 O CYS B 40 86.411 -17.922 39.125 1.00 0.00 O ATOM 1459 CB CYS B 40 88.125 -19.747 37.599 1.00 0.00 C ATOM 1460 SG CYS B 40 88.264 -21.236 38.622 1.00 0.00 S ATOM 0 H CYS B 40 87.375 -17.948 35.989 1.00 0.00 H new ATOM 0 HA CYS B 40 86.166 -20.402 37.021 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.673 -19.881 36.667 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.572 -18.896 38.113 1.00 0.00 H new ATOM 1465 N ASP B 41 84.887 -19.496 38.966 1.00 0.00 N ATOM 1466 CA ASP B 41 84.157 -18.991 40.165 1.00 0.00 C ATOM 1467 C ASP B 41 85.057 -19.023 41.404 1.00 0.00 C ATOM 1468 O ASP B 41 85.029 -18.126 42.224 1.00 0.00 O ATOM 1469 CB ASP B 41 82.929 -19.870 40.410 1.00 0.00 C ATOM 1470 CG ASP B 41 81.882 -19.603 39.327 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.040 -20.125 38.236 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.943 -18.875 39.607 1.00 0.00 O ATOM 0 H ASP B 41 84.473 -20.316 38.523 1.00 0.00 H new ATOM 0 HA ASP B 41 83.854 -17.960 39.982 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.215 -20.922 40.402 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.510 -19.661 41.394 1.00 0.00 H new ATOM 1477 N LYS B 42 85.842 -20.052 41.560 1.00 0.00 N ATOM 1478 CA LYS B 42 86.726 -20.141 42.758 1.00 0.00 C ATOM 1479 C LYS B 42 87.694 -18.955 42.781 1.00 0.00 C ATOM 1480 O LYS B 42 87.965 -18.384 43.820 1.00 0.00 O ATOM 1481 CB LYS B 42 87.523 -21.443 42.695 1.00 0.00 C ATOM 1482 CG LYS B 42 86.573 -22.628 42.874 1.00 0.00 C ATOM 1483 CD LYS B 42 87.368 -23.932 42.811 1.00 0.00 C ATOM 1484 CE LYS B 42 86.415 -25.117 42.976 1.00 0.00 C ATOM 1485 NZ LYS B 42 87.165 -26.388 42.771 1.00 0.00 N ATOM 0 H LYS B 42 85.911 -20.836 40.911 1.00 0.00 H new ATOM 0 HA LYS B 42 86.115 -20.122 43.661 1.00 0.00 H new ATOM 0 HB2 LYS B 42 88.041 -21.519 41.739 1.00 0.00 H new ATOM 0 HB3 LYS B 42 88.286 -21.453 43.473 1.00 0.00 H new ATOM 0 HG2 LYS B 42 86.055 -22.551 43.830 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.810 -22.617 42.096 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.894 -24.004 41.859 1.00 0.00 H new ATOM 0 HD3 LYS B 42 88.125 -23.948 43.595 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.968 -25.102 43.970 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.598 -25.044 42.258 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.518 -27.195 42.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.572 -26.401 41.814 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.929 -26.457 43.473 1.00 0.00 H new ATOM 1499 N CYS B 43 88.215 -18.576 41.646 1.00 0.00 N ATOM 1500 CA CYS B 43 89.164 -17.425 41.610 1.00 0.00 C ATOM 1501 C CYS B 43 88.390 -16.114 41.733 1.00 0.00 C ATOM 1502 O CYS B 43 88.910 -15.111 42.180 1.00 0.00 O ATOM 1503 CB CYS B 43 89.907 -17.399 40.276 1.00 0.00 C ATOM 1504 SG CYS B 43 90.671 -19.001 39.950 1.00 0.00 S ATOM 0 H CYS B 43 88.026 -19.012 40.743 1.00 0.00 H new ATOM 0 HA CYS B 43 89.868 -17.537 42.435 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.215 -17.149 39.472 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.671 -16.621 40.293 1.00 0.00 H new ATOM 1509 N GLN B 44 87.161 -16.104 41.296 1.00 0.00 N ATOM 1510 CA GLN B 44 86.362 -14.848 41.337 1.00 0.00 C ATOM 1511 C GLN B 44 85.909 -14.547 42.766 1.00 0.00 C ATOM 1512 O GLN B 44 86.401 -13.636 43.400 1.00 0.00 O ATOM 1513 CB GLN B 44 85.135 -15.016 40.433 1.00 0.00 C ATOM 1514 CG GLN B 44 84.324 -13.717 40.398 1.00 0.00 C ATOM 1515 CD GLN B 44 83.110 -13.899 39.486 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.042 -13.397 39.771 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.228 -14.601 38.391 1.00 0.00 N ATOM 0 H GLN B 44 86.675 -16.914 40.911 1.00 0.00 H new ATOM 0 HA GLN B 44 86.977 -14.018 40.989 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.451 -15.284 39.425 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.513 -15.832 40.800 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.000 -13.451 41.404 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.945 -12.898 40.036 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.125 -15.023 38.150 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.424 -14.727 37.777 1.00 0.00 H new ATOM 1526 N LEU B 45 84.975 -15.293 43.277 1.00 0.00 N ATOM 1527 CA LEU B 45 84.499 -15.025 44.664 1.00 0.00 C ATOM 1528 C LEU B 45 85.554 -15.506 45.663 1.00 0.00 C ATOM 1529 O LEU B 45 85.781 -16.691 45.815 1.00 0.00 O ATOM 1530 CB LEU B 45 83.192 -15.781 44.910 1.00 0.00 C ATOM 1531 CG LEU B 45 82.165 -15.436 43.825 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.878 -16.222 44.088 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.856 -13.928 43.848 1.00 0.00 C ATOM 0 H LEU B 45 84.521 -16.072 42.801 1.00 0.00 H new ATOM 0 HA LEU B 45 84.332 -13.955 44.791 1.00 0.00 H new ATOM 0 HB2 LEU B 45 83.380 -16.855 44.914 1.00 0.00 H new ATOM 0 HB3 LEU B 45 82.794 -15.524 45.892 1.00 0.00 H new ATOM 0 HG LEU B 45 82.571 -15.699 42.848 1.00 0.00 H new ATOM 0 HD11 LEU B 45 80.142 -15.982 43.321 1.00 0.00 H new ATOM 0 HD12 LEU B 45 81.093 -17.290 44.064 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.482 -15.954 45.067 1.00 0.00 H new ATOM 0 HD21 LEU B 45 81.126 -13.694 43.073 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.452 -13.654 44.822 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.772 -13.366 43.664 1.00 0.00 H new ATOM 1545 N LYS B 46 86.203 -14.601 46.349 1.00 0.00 N ATOM 1546 CA LYS B 46 87.241 -15.011 47.344 1.00 0.00 C ATOM 1547 C LYS B 46 86.599 -15.209 48.722 1.00 0.00 C ATOM 1548 O LYS B 46 86.331 -16.317 49.140 1.00 0.00 O ATOM 1549 CB LYS B 46 88.327 -13.936 47.428 1.00 0.00 C ATOM 1550 CG LYS B 46 89.477 -14.442 48.304 1.00 0.00 C ATOM 1551 CD LYS B 46 90.618 -13.421 48.298 1.00 0.00 C ATOM 1552 CE LYS B 46 91.784 -13.950 49.135 1.00 0.00 C ATOM 1553 NZ LYS B 46 92.491 -15.025 48.380 1.00 0.00 N ATOM 0 H LYS B 46 86.059 -13.595 46.264 1.00 0.00 H new ATOM 0 HA LYS B 46 87.689 -15.952 47.024 1.00 0.00 H new ATOM 0 HB2 LYS B 46 88.694 -13.695 46.430 1.00 0.00 H new ATOM 0 HB3 LYS B 46 87.914 -13.018 47.846 1.00 0.00 H new ATOM 0 HG2 LYS B 46 89.126 -14.604 49.323 1.00 0.00 H new ATOM 0 HG3 LYS B 46 89.834 -15.403 47.933 1.00 0.00 H new ATOM 0 HD2 LYS B 46 90.947 -13.234 47.276 1.00 0.00 H new ATOM 0 HD3 LYS B 46 90.270 -12.470 48.701 1.00 0.00 H new ATOM 0 HE2 LYS B 46 92.475 -13.140 49.368 1.00 0.00 H new ATOM 0 HE3 LYS B 46 91.417 -14.339 50.085 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 93.401 -15.231 48.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 91.906 -15.885 48.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 92.660 -14.710 47.403 1.00 0.00 H new ATOM 1567 N GLY B 47 86.361 -14.140 49.436 1.00 0.00 N ATOM 1568 CA GLY B 47 85.750 -14.267 50.791 1.00 0.00 C ATOM 1569 C GLY B 47 84.324 -14.809 50.676 1.00 0.00 C ATOM 1570 O GLY B 47 83.668 -14.654 49.665 1.00 0.00 O ATOM 0 H GLY B 47 86.563 -13.185 49.139 1.00 0.00 H new ATOM 0 HA2 GLY B 47 86.352 -14.933 51.409 1.00 0.00 H new ATOM 0 HA3 GLY B 47 85.739 -13.296 51.286 1.00 0.00 H new ATOM 1574 N GLU B 48 83.839 -15.447 51.708 1.00 0.00 N ATOM 1575 CA GLU B 48 82.457 -16.002 51.662 1.00 0.00 C ATOM 1576 C GLU B 48 81.438 -14.873 51.816 1.00 0.00 C ATOM 1577 O GLU B 48 81.605 -13.977 52.619 1.00 0.00 O ATOM 1578 CB GLU B 48 82.268 -17.010 52.799 1.00 0.00 C ATOM 1579 CG GLU B 48 82.462 -16.308 54.145 1.00 0.00 C ATOM 1580 CD GLU B 48 82.588 -17.353 55.256 1.00 0.00 C ATOM 1581 OE1 GLU B 48 81.850 -18.323 55.217 1.00 0.00 O ATOM 1582 OE2 GLU B 48 83.421 -17.165 56.128 1.00 0.00 O ATOM 0 H GLU B 48 84.342 -15.607 52.581 1.00 0.00 H new ATOM 0 HA GLU B 48 82.306 -16.498 50.703 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.272 -17.450 52.747 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.983 -17.827 52.697 1.00 0.00 H new ATOM 0 HG2 GLU B 48 83.355 -15.684 54.116 1.00 0.00 H new ATOM 0 HG3 GLU B 48 81.619 -15.648 54.347 1.00 0.00 H new ATOM 1589 N ALA B 49 80.377 -14.923 51.051 1.00 0.00 N ATOM 1590 CA ALA B 49 79.313 -13.874 51.130 1.00 0.00 C ATOM 1591 C ALA B 49 77.985 -14.554 51.447 1.00 0.00 C ATOM 1592 O ALA B 49 77.222 -14.106 52.275 1.00 0.00 O ATOM 1593 CB ALA B 49 79.206 -13.159 49.780 1.00 0.00 C ATOM 0 H ALA B 49 80.200 -15.657 50.365 1.00 0.00 H new ATOM 0 HA ALA B 49 79.558 -13.148 51.905 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.432 -12.394 49.834 1.00 0.00 H new ATOM 0 HB2 ALA B 49 80.161 -12.692 49.539 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.949 -13.881 49.005 1.00 0.00 H new ATOM 1599 N MET B 50 77.707 -15.638 50.786 1.00 0.00 N ATOM 1600 CA MET B 50 76.429 -16.354 51.032 1.00 0.00 C ATOM 1601 C MET B 50 76.420 -16.936 52.447 1.00 0.00 C ATOM 1602 O MET B 50 77.405 -17.464 52.923 1.00 0.00 O ATOM 1603 CB MET B 50 76.283 -17.476 50.008 1.00 0.00 C ATOM 1604 CG MET B 50 74.883 -18.084 50.112 1.00 0.00 C ATOM 1605 SD MET B 50 74.699 -19.409 48.890 1.00 0.00 S ATOM 1606 CE MET B 50 74.171 -18.380 47.495 1.00 0.00 C ATOM 0 H MET B 50 78.312 -16.061 50.083 1.00 0.00 H new ATOM 0 HA MET B 50 75.596 -15.658 50.935 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.449 -17.089 49.003 1.00 0.00 H new ATOM 0 HB3 MET B 50 77.038 -18.243 50.183 1.00 0.00 H new ATOM 0 HG2 MET B 50 74.721 -18.477 51.116 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.129 -17.315 49.945 1.00 0.00 H new ATOM 0 HE1 MET B 50 74.000 -19.010 46.622 1.00 0.00 H new ATOM 0 HE2 MET B 50 73.248 -17.861 47.754 1.00 0.00 H new ATOM 0 HE3 MET B 50 74.947 -17.649 47.268 1.00 0.00 H new ATOM 1616 N HIS B 51 75.305 -16.840 53.123 1.00 0.00 N ATOM 1617 CA HIS B 51 75.210 -17.380 54.509 1.00 0.00 C ATOM 1618 C HIS B 51 74.895 -18.877 54.454 1.00 0.00 C ATOM 1619 O HIS B 51 74.608 -19.423 53.407 1.00 0.00 O ATOM 1620 CB HIS B 51 74.098 -16.648 55.270 1.00 0.00 C ATOM 1621 CG HIS B 51 72.757 -17.001 54.678 1.00 0.00 C ATOM 1622 ND1 HIS B 51 72.008 -16.095 53.939 1.00 0.00 N ATOM 1623 CD2 HIS B 51 72.020 -18.160 54.708 1.00 0.00 C ATOM 1624 CE1 HIS B 51 70.877 -16.719 53.557 1.00 0.00 C ATOM 1625 NE2 HIS B 51 70.838 -17.976 54.000 1.00 0.00 N ATOM 0 H HIS B 51 74.451 -16.407 52.771 1.00 0.00 H new ATOM 0 HA HIS B 51 76.159 -17.229 55.023 1.00 0.00 H new ATOM 0 HB2 HIS B 51 74.124 -16.923 56.324 1.00 0.00 H new ATOM 0 HB3 HIS B 51 74.257 -15.571 55.218 1.00 0.00 H new ATOM 0 HD2 HIS B 51 72.314 -19.073 55.205 1.00 0.00 H new ATOM 0 HE1 HIS B 51 70.099 -16.259 52.966 1.00 0.00 H new ATOM 0 HE2 HIS B 51 70.096 -18.660 53.851 1.00 0.00 H new ATOM 1633 N GLY B 52 74.944 -19.542 55.575 1.00 0.00 N ATOM 1634 CA GLY B 52 74.644 -21.002 55.586 1.00 0.00 C ATOM 1635 C GLY B 52 74.520 -21.487 57.032 1.00 0.00 C ATOM 1636 O GLY B 52 74.448 -22.672 57.293 1.00 0.00 O ATOM 0 H GLY B 52 75.178 -19.139 56.482 1.00 0.00 H new ATOM 0 HA2 GLY B 52 73.718 -21.198 55.045 1.00 0.00 H new ATOM 0 HA3 GLY B 52 75.435 -21.550 55.074 1.00 0.00 H new ATOM 1640 N GLN B 53 74.496 -20.575 57.977 1.00 0.00 N ATOM 1641 CA GLN B 53 74.374 -20.964 59.418 1.00 0.00 C ATOM 1642 C GLN B 53 73.281 -20.125 60.084 1.00 0.00 C ATOM 1643 O GLN B 53 73.462 -19.591 61.161 1.00 0.00 O ATOM 1644 CB GLN B 53 75.712 -20.732 60.129 1.00 0.00 C ATOM 1645 CG GLN B 53 76.239 -19.330 59.813 1.00 0.00 C ATOM 1646 CD GLN B 53 77.597 -19.137 60.496 1.00 0.00 C ATOM 1647 OE1 GLN B 53 78.224 -20.094 60.903 1.00 0.00 O ATOM 1648 NE2 GLN B 53 78.084 -17.934 60.638 1.00 0.00 N ATOM 0 H GLN B 53 74.556 -19.571 57.809 1.00 0.00 H new ATOM 0 HA GLN B 53 74.110 -22.019 59.488 1.00 0.00 H new ATOM 0 HB2 GLN B 53 75.586 -20.847 61.205 1.00 0.00 H new ATOM 0 HB3 GLN B 53 76.437 -21.482 59.811 1.00 0.00 H new ATOM 0 HG2 GLN B 53 76.339 -19.200 58.735 1.00 0.00 H new ATOM 0 HG3 GLN B 53 75.533 -18.576 60.161 1.00 0.00 H new ATOM 0 HE21 GLN B 53 77.560 -17.128 60.297 1.00 0.00 H new ATOM 0 HE22 GLN B 53 78.989 -17.800 61.090 1.00 0.00 H new ATOM 1657 N VAL B 54 72.142 -20.008 59.450 1.00 0.00 N ATOM 1658 CA VAL B 54 71.024 -19.208 60.040 1.00 0.00 C ATOM 1659 C VAL B 54 70.053 -20.151 60.751 1.00 0.00 C ATOM 1660 O VAL B 54 69.541 -21.085 60.167 1.00 0.00 O ATOM 1661 CB VAL B 54 70.281 -18.468 58.927 1.00 0.00 C ATOM 1662 CG1 VAL B 54 69.102 -17.698 59.523 1.00 0.00 C ATOM 1663 CG2 VAL B 54 71.234 -17.486 58.241 1.00 0.00 C ATOM 0 H VAL B 54 71.937 -20.433 58.546 1.00 0.00 H new ATOM 0 HA VAL B 54 71.428 -18.486 60.750 1.00 0.00 H new ATOM 0 HB VAL B 54 69.913 -19.189 58.197 1.00 0.00 H new ATOM 0 HG11 VAL B 54 68.573 -17.171 58.729 1.00 0.00 H new ATOM 0 HG12 VAL B 54 68.422 -18.395 60.011 1.00 0.00 H new ATOM 0 HG13 VAL B 54 69.470 -16.978 60.254 1.00 0.00 H new ATOM 0 HG21 VAL B 54 70.704 -16.959 57.448 1.00 0.00 H new ATOM 0 HG22 VAL B 54 71.603 -16.766 58.972 1.00 0.00 H new ATOM 0 HG23 VAL B 54 72.075 -18.033 57.814 1.00 0.00 H new ATOM 1673 N ASP B 55 69.795 -19.912 62.008 1.00 0.00 N ATOM 1674 CA ASP B 55 68.857 -20.787 62.763 1.00 0.00 C ATOM 1675 C ASP B 55 67.428 -20.274 62.576 1.00 0.00 C ATOM 1676 O ASP B 55 67.047 -19.365 63.296 1.00 0.00 O ATOM 1677 CB ASP B 55 69.224 -20.742 64.247 1.00 0.00 C ATOM 1678 CG ASP B 55 70.540 -21.491 64.471 1.00 0.00 C ATOM 1679 OD1 ASP B 55 70.928 -22.242 63.593 1.00 0.00 O ATOM 1680 OD2 ASP B 55 71.136 -21.299 65.518 1.00 0.00 O ATOM 1681 OXT ASP B 55 66.740 -20.796 61.714 1.00 0.00 O ATOM 0 H ASP B 55 70.196 -19.144 62.546 1.00 0.00 H new ATOM 0 HA ASP B 55 68.926 -21.811 62.397 1.00 0.00 H new ATOM 0 HB2 ASP B 55 69.321 -19.708 64.577 1.00 0.00 H new ATOM 0 HB3 ASP B 55 68.430 -21.193 64.843 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.444 -1.688 35.805 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.406 -21.153 39.500 1.00 0.00 ZN