USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= 0.954 K(o=1.5,f=0.24) USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0.546 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.34 (180deg=2.28) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00532 USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 1.22 (180deg=1.15) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -104:sc= 0.089 USER MOD Single : A 22 THR OG1 : rot -140:sc= -0.411 USER MOD Single : A 25 ASN : amide:sc= -0.338! C(o=-0.34!,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ -132:sc= 0.781 (180deg=-0.179!) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= 1.22 (180deg=0.96) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 1.18 (180deg=1.17) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 41 GLN : amide:sc= -1.53 K(o=-1.5,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.466 K(o=0.47,f=-3.7!) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.75 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.552 USER MOD Single : A 60 ASN : amide:sc= 0.00356 X(o=0.0036,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 91:sc= 0.666 USER MOD Single : A 66 THR OG1 : rot -170:sc=-0.000243 USER MOD Single : A 68 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.634 31.187 15.928 1.00 0.00 N ATOM 2 CA MET A 1 13.568 30.784 17.341 1.00 0.00 C ATOM 3 C MET A 1 14.915 31.059 18.012 1.00 0.00 C ATOM 4 O MET A 1 15.939 30.833 17.369 1.00 0.00 O ATOM 5 CB MET A 1 13.239 29.306 17.555 1.00 0.00 C ATOM 6 CG MET A 1 13.083 28.956 19.034 1.00 0.00 C ATOM 7 SD MET A 1 12.652 27.232 19.390 1.00 0.00 S ATOM 8 CE MET A 1 14.265 26.446 19.225 1.00 0.00 C ATOM 0 H1 MET A 1 12.680 31.161 15.515 1.00 0.00 H new ATOM 0 H2 MET A 1 14.015 32.152 15.860 1.00 0.00 H new ATOM 0 H3 MET A 1 14.254 30.533 15.409 1.00 0.00 H new ATOM 0 HA MET A 1 12.758 31.369 17.777 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.318 29.061 17.027 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.029 28.693 17.120 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.017 29.191 19.545 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.315 29.600 19.462 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.170 25.377 19.415 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.645 26.603 18.215 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.958 26.882 19.945 1.00 0.00 H new ATOM 20 N GLN A 2 15.005 31.710 19.167 1.00 0.00 N ATOM 21 CA GLN A 2 16.204 32.365 19.661 1.00 0.00 C ATOM 22 C GLN A 2 16.822 31.542 20.793 1.00 0.00 C ATOM 23 O GLN A 2 16.087 31.032 21.638 1.00 0.00 O ATOM 24 CB GLN A 2 15.844 33.756 20.186 1.00 0.00 C ATOM 25 CG GLN A 2 16.819 34.792 20.761 1.00 0.00 C ATOM 26 CD GLN A 2 17.314 34.399 22.144 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.570 34.011 23.034 1.00 0.00 O ATOM 28 NE2 GLN A 2 18.615 34.542 22.393 1.00 0.00 N ATOM 0 H GLN A 2 14.214 31.797 19.806 1.00 0.00 H new ATOM 0 HA GLN A 2 16.924 32.452 18.847 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.337 34.258 19.362 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.100 33.591 20.965 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.670 34.902 20.089 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.327 35.763 20.814 1.00 0.00 H new ATOM 0 HE21 GLN A 2 19.243 34.865 21.657 1.00 0.00 H new ATOM 0 HE22 GLN A 2 18.983 34.328 23.320 1.00 0.00 H new ATOM 37 N ILE A 3 18.150 31.448 20.841 1.00 0.00 N ATOM 38 CA ILE A 3 18.961 30.761 21.818 1.00 0.00 C ATOM 39 C ILE A 3 20.182 31.622 22.129 1.00 0.00 C ATOM 40 O ILE A 3 20.639 32.331 21.239 1.00 0.00 O ATOM 41 CB ILE A 3 19.334 29.318 21.476 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.244 29.177 20.256 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.088 28.466 21.227 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.845 27.828 19.858 1.00 0.00 C ATOM 0 H ILE A 3 18.728 31.894 20.128 1.00 0.00 H new ATOM 0 HA ILE A 3 18.345 30.638 22.708 1.00 0.00 H new ATOM 0 HB ILE A 3 19.883 28.969 22.350 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.679 29.538 19.396 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.077 29.864 20.401 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.387 27.446 20.986 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.466 28.460 22.122 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.522 28.884 20.395 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.458 27.952 18.965 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.463 27.450 20.673 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.043 27.119 19.652 1.00 0.00 H new ATOM 56 N PHE A 4 20.814 31.345 23.273 1.00 0.00 N ATOM 57 CA PHE A 4 22.037 31.951 23.747 1.00 0.00 C ATOM 58 C PHE A 4 23.119 30.878 23.634 1.00 0.00 C ATOM 59 O PHE A 4 22.841 29.683 23.729 1.00 0.00 O ATOM 60 CB PHE A 4 21.864 32.394 25.198 1.00 0.00 C ATOM 61 CG PHE A 4 21.212 33.755 25.278 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.934 34.932 25.044 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.853 33.831 25.626 1.00 0.00 C ATOM 64 CE1 PHE A 4 21.239 36.140 24.925 1.00 0.00 C ATOM 65 CE2 PHE A 4 19.169 35.041 25.516 1.00 0.00 C ATOM 66 CZ PHE A 4 19.848 36.197 25.126 1.00 0.00 C ATOM 0 H PHE A 4 20.454 30.647 23.924 1.00 0.00 H new ATOM 0 HA PHE A 4 22.304 32.833 23.165 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.257 31.665 25.734 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.836 32.424 25.691 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.010 34.907 24.957 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.337 32.950 25.979 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.778 37.042 24.675 1.00 0.00 H new ATOM 0 HE2 PHE A 4 18.112 35.084 25.733 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.312 37.123 24.981 1.00 0.00 H new ATOM 76 N VAL A 5 24.370 31.346 23.610 1.00 0.00 N ATOM 77 CA VAL A 5 25.562 30.594 23.944 1.00 0.00 C ATOM 78 C VAL A 5 26.333 31.503 24.895 1.00 0.00 C ATOM 79 O VAL A 5 26.177 32.721 24.818 1.00 0.00 O ATOM 80 CB VAL A 5 26.245 30.144 22.649 1.00 0.00 C ATOM 81 CG1 VAL A 5 25.350 29.256 21.798 1.00 0.00 C ATOM 82 CG2 VAL A 5 26.705 31.253 21.698 1.00 0.00 C ATOM 0 H VAL A 5 24.579 32.308 23.343 1.00 0.00 H new ATOM 0 HA VAL A 5 25.414 29.648 24.465 1.00 0.00 H new ATOM 0 HB VAL A 5 27.118 29.628 23.047 1.00 0.00 H new ATOM 0 HG11 VAL A 5 25.882 28.965 20.892 1.00 0.00 H new ATOM 0 HG12 VAL A 5 25.080 28.364 22.363 1.00 0.00 H new ATOM 0 HG13 VAL A 5 24.446 29.802 21.528 1.00 0.00 H new ATOM 0 HG21 VAL A 5 27.172 30.808 20.819 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.845 31.848 21.390 1.00 0.00 H new ATOM 0 HG23 VAL A 5 27.425 31.893 22.207 1.00 0.00 H new ATOM 92 N LYS A 6 27.092 30.857 25.785 1.00 0.00 N ATOM 93 CA LYS A 6 28.270 31.326 26.491 1.00 0.00 C ATOM 94 C LYS A 6 29.585 31.118 25.741 1.00 0.00 C ATOM 95 O LYS A 6 29.589 30.229 24.891 1.00 0.00 O ATOM 96 CB LYS A 6 28.423 30.582 27.822 1.00 0.00 C ATOM 97 CG LYS A 6 27.178 30.802 28.675 1.00 0.00 C ATOM 98 CD LYS A 6 27.285 30.154 30.055 1.00 0.00 C ATOM 99 CE LYS A 6 27.601 31.189 31.141 1.00 0.00 C ATOM 100 NZ LYS A 6 26.960 30.848 32.422 1.00 0.00 N ATOM 0 H LYS A 6 26.867 29.898 26.049 1.00 0.00 H new ATOM 0 HA LYS A 6 28.102 32.396 26.614 1.00 0.00 H new ATOM 0 HB2 LYS A 6 28.569 29.517 27.641 1.00 0.00 H new ATOM 0 HB3 LYS A 6 29.307 30.939 28.351 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.008 31.872 28.793 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.310 30.397 28.155 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.349 29.649 30.294 1.00 0.00 H new ATOM 0 HD3 LYS A 6 28.064 29.392 30.040 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.680 31.253 31.280 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.263 32.173 30.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.196 31.571 33.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.928 30.812 32.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.302 29.920 32.745 1.00 0.00 H new ATOM 114 N THR A 7 30.583 31.970 25.932 1.00 0.00 N ATOM 115 CA THR A 7 31.923 31.814 25.398 1.00 0.00 C ATOM 116 C THR A 7 32.923 32.209 26.486 1.00 0.00 C ATOM 117 O THR A 7 32.620 32.997 27.378 1.00 0.00 O ATOM 118 CB THR A 7 31.994 32.502 24.031 1.00 0.00 C ATOM 119 OG1 THR A 7 33.201 32.484 23.311 1.00 0.00 O ATOM 120 CG2 THR A 7 31.600 33.981 24.082 1.00 0.00 C ATOM 0 H THR A 7 30.474 32.820 26.485 1.00 0.00 H new ATOM 0 HA THR A 7 32.204 30.788 25.162 1.00 0.00 H new ATOM 0 HB THR A 7 31.287 31.860 23.505 1.00 0.00 H new ATOM 0 HG1 THR A 7 33.083 32.961 22.463 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.671 34.411 23.083 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.576 34.072 24.445 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.272 34.514 24.755 1.00 0.00 H new ATOM 128 N LEU A 8 34.122 31.624 26.439 1.00 0.00 N ATOM 129 CA LEU A 8 35.116 31.554 27.480 1.00 0.00 C ATOM 130 C LEU A 8 35.828 32.864 27.823 1.00 0.00 C ATOM 131 O LEU A 8 36.627 32.919 28.765 1.00 0.00 O ATOM 132 CB LEU A 8 36.233 30.686 26.891 1.00 0.00 C ATOM 133 CG LEU A 8 36.940 29.736 27.861 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.033 28.587 28.301 1.00 0.00 C ATOM 135 CD2 LEU A 8 38.195 29.191 27.164 1.00 0.00 C ATOM 0 H LEU A 8 34.437 31.150 25.592 1.00 0.00 H new ATOM 0 HA LEU A 8 34.603 31.210 28.378 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.813 30.094 26.078 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.982 31.345 26.451 1.00 0.00 H new ATOM 0 HG LEU A 8 37.209 30.285 28.764 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.576 27.938 28.988 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.152 28.990 28.801 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.724 28.013 27.428 1.00 0.00 H new ATOM 0 HD21 LEU A 8 38.718 28.510 27.836 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.906 28.657 26.259 1.00 0.00 H new ATOM 0 HD23 LEU A 8 38.854 30.019 26.902 1.00 0.00 H new ATOM 147 N THR A 9 35.526 33.993 27.180 1.00 0.00 N ATOM 148 CA THR A 9 35.898 35.329 27.593 1.00 0.00 C ATOM 149 C THR A 9 34.864 35.870 28.592 1.00 0.00 C ATOM 150 O THR A 9 35.216 36.814 29.308 1.00 0.00 O ATOM 151 CB THR A 9 36.011 36.228 26.372 1.00 0.00 C ATOM 152 OG1 THR A 9 34.756 36.256 25.728 1.00 0.00 O ATOM 153 CG2 THR A 9 37.166 35.845 25.444 1.00 0.00 C ATOM 0 H THR A 9 34.988 33.990 26.314 1.00 0.00 H new ATOM 0 HA THR A 9 36.868 35.306 28.090 1.00 0.00 H new ATOM 0 HB THR A 9 36.268 37.238 26.691 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.807 36.833 24.937 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.190 36.526 24.593 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.108 35.911 25.989 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.024 34.825 25.088 1.00 0.00 H new ATOM 161 N GLY A 10 33.674 35.287 28.597 1.00 0.00 N ATOM 162 CA GLY A 10 32.537 35.539 29.459 1.00 0.00 C ATOM 163 C GLY A 10 31.281 36.151 28.826 1.00 0.00 C ATOM 164 O GLY A 10 30.301 36.234 29.553 1.00 0.00 O ATOM 0 H GLY A 10 33.463 34.549 27.925 1.00 0.00 H new ATOM 0 HA2 GLY A 10 32.252 34.594 29.922 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.865 36.201 30.260 1.00 0.00 H new ATOM 168 N LYS A 11 31.490 36.485 27.555 1.00 0.00 N ATOM 169 CA LYS A 11 30.450 37.072 26.723 1.00 0.00 C ATOM 170 C LYS A 11 29.289 36.100 26.493 1.00 0.00 C ATOM 171 O LYS A 11 29.338 34.866 26.480 1.00 0.00 O ATOM 172 CB LYS A 11 31.087 37.389 25.364 1.00 0.00 C ATOM 173 CG LYS A 11 30.274 38.071 24.256 1.00 0.00 C ATOM 174 CD LYS A 11 31.133 38.185 22.998 1.00 0.00 C ATOM 175 CE LYS A 11 30.560 39.084 21.898 1.00 0.00 C ATOM 176 NZ LYS A 11 31.566 39.142 20.841 1.00 0.00 N ATOM 0 H LYS A 11 32.382 36.356 27.077 1.00 0.00 H new ATOM 0 HA LYS A 11 30.054 37.958 27.218 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.956 38.018 25.557 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.458 36.448 24.957 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.373 37.496 24.044 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.952 39.060 24.581 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.115 38.564 23.281 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.283 37.186 22.588 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.621 38.681 21.518 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.346 40.081 22.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.406 39.986 20.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.514 39.191 21.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.496 38.290 20.248 1.00 0.00 H new ATOM 190 N THR A 12 28.154 36.707 26.171 1.00 0.00 N ATOM 191 CA THR A 12 26.850 36.132 25.934 1.00 0.00 C ATOM 192 C THR A 12 26.261 36.465 24.563 1.00 0.00 C ATOM 193 O THR A 12 26.005 37.657 24.365 1.00 0.00 O ATOM 194 CB THR A 12 25.890 36.044 27.120 1.00 0.00 C ATOM 195 OG1 THR A 12 25.790 37.326 27.708 1.00 0.00 O ATOM 196 CG2 THR A 12 26.290 35.076 28.238 1.00 0.00 C ATOM 0 H THR A 12 28.130 37.721 26.060 1.00 0.00 H new ATOM 0 HA THR A 12 27.062 35.066 25.851 1.00 0.00 H new ATOM 0 HB THR A 12 24.958 35.666 26.699 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.176 37.289 28.471 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.536 35.097 29.025 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.366 34.066 27.835 1.00 0.00 H new ATOM 0 HG23 THR A 12 27.253 35.375 28.651 1.00 0.00 H new ATOM 204 N ILE A 13 26.201 35.524 23.620 1.00 0.00 N ATOM 205 CA ILE A 13 25.856 35.631 22.218 1.00 0.00 C ATOM 206 C ILE A 13 24.444 35.066 22.030 1.00 0.00 C ATOM 207 O ILE A 13 24.182 33.981 22.540 1.00 0.00 O ATOM 208 CB ILE A 13 26.953 34.943 21.401 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.281 35.689 21.547 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.528 34.697 19.943 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.484 34.750 21.467 1.00 0.00 C ATOM 0 H ILE A 13 26.421 34.557 23.859 1.00 0.00 H new ATOM 0 HA ILE A 13 25.818 36.659 21.858 1.00 0.00 H new ATOM 0 HB ILE A 13 27.113 33.945 21.810 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.359 36.444 20.765 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.297 36.216 22.501 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.340 34.207 19.405 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.644 34.060 19.924 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.299 35.650 19.465 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.403 35.326 21.576 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.422 34.011 22.266 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.486 34.243 20.502 1.00 0.00 H new ATOM 223 N THR A 14 23.593 35.737 21.258 1.00 0.00 N ATOM 224 CA THR A 14 22.209 35.451 20.933 1.00 0.00 C ATOM 225 C THR A 14 22.190 34.997 19.469 1.00 0.00 C ATOM 226 O THR A 14 22.733 35.697 18.622 1.00 0.00 O ATOM 227 CB THR A 14 21.381 36.709 21.174 1.00 0.00 C ATOM 228 OG1 THR A 14 20.059 36.426 20.763 1.00 0.00 O ATOM 229 CG2 THR A 14 21.800 38.082 20.626 1.00 0.00 C ATOM 0 H THR A 14 23.899 36.593 20.794 1.00 0.00 H new ATOM 0 HA THR A 14 21.777 34.665 21.553 1.00 0.00 H new ATOM 0 HB THR A 14 21.540 36.883 22.238 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.496 37.215 20.906 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.064 38.831 20.919 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.775 38.354 21.031 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.859 38.037 19.539 1.00 0.00 H new ATOM 237 N LEU A 15 21.699 33.785 19.222 1.00 0.00 N ATOM 238 CA LEU A 15 21.626 33.072 17.968 1.00 0.00 C ATOM 239 C LEU A 15 20.171 32.944 17.500 1.00 0.00 C ATOM 240 O LEU A 15 19.297 32.802 18.349 1.00 0.00 O ATOM 241 CB LEU A 15 22.202 31.661 18.098 1.00 0.00 C ATOM 242 CG LEU A 15 23.676 31.627 18.481 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.119 30.172 18.655 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.547 32.263 17.407 1.00 0.00 C ATOM 0 H LEU A 15 21.304 33.229 19.980 1.00 0.00 H new ATOM 0 HA LEU A 15 22.208 33.644 17.245 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.630 31.114 18.847 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.071 31.137 17.151 1.00 0.00 H new ATOM 0 HG LEU A 15 23.793 32.188 19.408 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.174 30.143 18.929 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.527 29.703 19.441 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.973 29.633 17.719 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.592 32.221 17.714 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.422 31.721 16.469 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.251 33.303 17.267 1.00 0.00 H new ATOM 256 N GLU A 16 19.887 32.771 16.217 1.00 0.00 N ATOM 257 CA GLU A 16 18.618 32.524 15.548 1.00 0.00 C ATOM 258 C GLU A 16 18.695 31.175 14.845 1.00 0.00 C ATOM 259 O GLU A 16 19.460 31.019 13.891 1.00 0.00 O ATOM 260 CB GLU A 16 18.226 33.671 14.611 1.00 0.00 C ATOM 261 CG GLU A 16 16.719 33.545 14.339 1.00 0.00 C ATOM 262 CD GLU A 16 15.777 33.841 15.494 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.308 34.244 16.552 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.548 33.600 15.364 1.00 0.00 O ATOM 0 H GLU A 16 20.642 32.805 15.532 1.00 0.00 H new ATOM 0 HA GLU A 16 17.817 32.485 16.286 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.455 34.634 15.067 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.790 33.616 13.680 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.467 34.215 13.517 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.522 32.530 13.994 1.00 0.00 H new ATOM 271 N VAL A 17 17.844 30.254 15.289 1.00 0.00 N ATOM 272 CA VAL A 17 17.747 28.833 15.017 1.00 0.00 C ATOM 273 C VAL A 17 16.284 28.432 14.795 1.00 0.00 C ATOM 274 O VAL A 17 15.347 29.129 15.175 1.00 0.00 O ATOM 275 CB VAL A 17 18.483 28.144 16.162 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.984 28.422 16.216 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.846 28.241 17.551 1.00 0.00 C ATOM 0 H VAL A 17 17.108 30.533 15.937 1.00 0.00 H new ATOM 0 HA VAL A 17 18.222 28.520 14.087 1.00 0.00 H new ATOM 0 HB VAL A 17 18.357 27.100 15.874 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.422 27.891 17.061 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.451 28.081 15.292 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.152 29.493 16.334 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.466 27.711 18.274 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.765 29.288 17.842 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.853 27.793 17.528 1.00 0.00 H new ATOM 287 N GLU A 18 16.027 27.245 14.274 1.00 0.00 N ATOM 288 CA GLU A 18 14.742 26.563 14.342 1.00 0.00 C ATOM 289 C GLU A 18 15.026 25.189 14.949 1.00 0.00 C ATOM 290 O GLU A 18 16.136 24.707 14.723 1.00 0.00 O ATOM 291 CB GLU A 18 14.109 26.367 12.971 1.00 0.00 C ATOM 292 CG GLU A 18 13.521 27.626 12.327 1.00 0.00 C ATOM 293 CD GLU A 18 12.469 27.218 11.315 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.894 26.482 10.389 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.277 27.590 11.302 1.00 0.00 O ATOM 0 H GLU A 18 16.734 26.707 13.772 1.00 0.00 H new ATOM 0 HA GLU A 18 14.045 27.160 14.930 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.862 25.955 12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.318 25.622 13.059 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.081 28.268 13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.308 28.202 11.840 1.00 0.00 H new ATOM 302 N PRO A 19 14.112 24.417 15.531 1.00 0.00 N ATOM 303 CA PRO A 19 14.342 23.073 16.030 1.00 0.00 C ATOM 304 C PRO A 19 15.030 22.065 15.125 1.00 0.00 C ATOM 305 O PRO A 19 15.872 21.322 15.620 1.00 0.00 O ATOM 306 CB PRO A 19 12.958 22.533 16.392 1.00 0.00 C ATOM 307 CG PRO A 19 12.252 23.804 16.863 1.00 0.00 C ATOM 308 CD PRO A 19 12.786 24.881 15.917 1.00 0.00 C ATOM 0 HA PRO A 19 15.054 23.179 16.849 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.458 22.078 15.537 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.004 21.775 17.174 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.168 23.710 16.793 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.486 24.031 17.903 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.140 24.998 15.047 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.835 25.851 16.411 1.00 0.00 H new ATOM 316 N SER A 20 14.629 21.960 13.859 1.00 0.00 N ATOM 317 CA SER A 20 15.270 21.076 12.912 1.00 0.00 C ATOM 318 C SER A 20 16.683 21.433 12.447 1.00 0.00 C ATOM 319 O SER A 20 17.248 20.766 11.586 1.00 0.00 O ATOM 320 CB SER A 20 14.207 21.066 11.811 1.00 0.00 C ATOM 321 OG SER A 20 13.781 22.341 11.393 1.00 0.00 O ATOM 0 H SER A 20 13.849 22.490 13.470 1.00 0.00 H new ATOM 0 HA SER A 20 15.518 20.104 13.339 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.602 20.529 10.949 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.341 20.507 12.166 1.00 0.00 H new ATOM 0 HG SER A 20 12.897 22.531 11.771 1.00 0.00 H new ATOM 327 N ASP A 21 17.224 22.522 12.987 1.00 0.00 N ATOM 328 CA ASP A 21 18.559 22.945 12.626 1.00 0.00 C ATOM 329 C ASP A 21 19.685 22.075 13.193 1.00 0.00 C ATOM 330 O ASP A 21 19.524 21.661 14.344 1.00 0.00 O ATOM 331 CB ASP A 21 18.931 24.371 13.024 1.00 0.00 C ATOM 332 CG ASP A 21 19.625 25.117 11.900 1.00 0.00 C ATOM 333 OD1 ASP A 21 19.985 24.580 10.829 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.571 26.363 11.983 1.00 0.00 O ATOM 0 H ASP A 21 16.757 23.118 13.670 1.00 0.00 H new ATOM 0 HA ASP A 21 18.490 22.854 11.542 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.030 24.912 13.315 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.583 24.344 13.897 1.00 0.00 H new ATOM 339 N THR A 22 20.722 21.656 12.479 1.00 0.00 N ATOM 340 CA THR A 22 21.790 20.818 13.009 1.00 0.00 C ATOM 341 C THR A 22 22.864 21.630 13.737 1.00 0.00 C ATOM 342 O THR A 22 23.203 22.749 13.349 1.00 0.00 O ATOM 343 CB THR A 22 22.530 20.148 11.851 1.00 0.00 C ATOM 344 OG1 THR A 22 22.936 21.038 10.835 1.00 0.00 O ATOM 345 CG2 THR A 22 21.746 19.028 11.172 1.00 0.00 C ATOM 0 H THR A 22 20.847 21.894 11.495 1.00 0.00 H new ATOM 0 HA THR A 22 21.312 20.114 13.690 1.00 0.00 H new ATOM 0 HB THR A 22 23.405 19.735 12.353 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.800 20.619 9.960 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.341 18.606 10.362 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.520 18.249 11.900 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.816 19.428 10.768 1.00 0.00 H new ATOM 353 N ILE A 23 23.478 21.023 14.748 1.00 0.00 N ATOM 354 CA ILE A 23 24.546 21.576 15.560 1.00 0.00 C ATOM 355 C ILE A 23 25.699 22.173 14.744 1.00 0.00 C ATOM 356 O ILE A 23 26.110 23.270 15.095 1.00 0.00 O ATOM 357 CB ILE A 23 25.005 20.551 16.596 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.843 20.086 17.467 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.155 20.986 17.508 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.221 21.142 18.374 1.00 0.00 C ATOM 0 H ILE A 23 23.226 20.077 15.035 1.00 0.00 H new ATOM 0 HA ILE A 23 24.137 22.433 16.095 1.00 0.00 H new ATOM 0 HB ILE A 23 25.395 19.737 15.984 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.063 19.690 16.816 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.189 19.260 18.089 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.395 20.180 18.201 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.032 21.217 16.903 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.859 21.871 18.070 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.406 20.697 18.945 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.977 21.524 19.059 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.834 21.961 17.767 1.00 0.00 H new ATOM 372 N GLU A 24 26.106 21.608 13.611 1.00 0.00 N ATOM 373 CA GLU A 24 27.045 22.228 12.692 1.00 0.00 C ATOM 374 C GLU A 24 26.598 23.587 12.161 1.00 0.00 C ATOM 375 O GLU A 24 27.476 24.454 12.050 1.00 0.00 O ATOM 376 CB GLU A 24 27.348 21.229 11.569 1.00 0.00 C ATOM 377 CG GLU A 24 26.192 21.073 10.594 1.00 0.00 C ATOM 378 CD GLU A 24 26.207 19.840 9.690 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.257 19.391 9.187 1.00 0.00 O ATOM 380 OE2 GLU A 24 25.070 19.431 9.379 1.00 0.00 O ATOM 0 H GLU A 24 25.785 20.690 13.304 1.00 0.00 H new ATOM 0 HA GLU A 24 27.957 22.459 13.243 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.234 21.557 11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.583 20.258 12.006 1.00 0.00 H new ATOM 0 HG2 GLU A 24 25.265 21.061 11.167 1.00 0.00 H new ATOM 0 HG3 GLU A 24 26.163 21.958 9.959 1.00 0.00 H new ATOM 387 N ASN A 25 25.315 23.716 11.867 1.00 0.00 N ATOM 388 CA ASN A 25 24.674 24.960 11.499 1.00 0.00 C ATOM 389 C ASN A 25 24.628 25.900 12.713 1.00 0.00 C ATOM 390 O ASN A 25 24.627 27.097 12.442 1.00 0.00 O ATOM 391 CB ASN A 25 23.259 24.832 10.918 1.00 0.00 C ATOM 392 CG ASN A 25 22.956 25.946 9.924 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.787 26.607 9.304 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.684 26.294 9.778 1.00 0.00 N ATOM 0 H ASN A 25 24.670 22.926 11.880 1.00 0.00 H new ATOM 0 HA ASN A 25 25.289 25.360 10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.154 23.866 10.425 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.529 24.858 11.727 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.436 27.077 9.174 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.954 25.778 10.270 1.00 0.00 H new ATOM 401 N VAL A 26 24.429 25.435 13.940 1.00 0.00 N ATOM 402 CA VAL A 26 24.523 26.268 15.126 1.00 0.00 C ATOM 403 C VAL A 26 25.973 26.763 15.204 1.00 0.00 C ATOM 404 O VAL A 26 26.175 27.971 15.165 1.00 0.00 O ATOM 405 CB VAL A 26 24.032 25.540 16.382 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.091 26.452 17.608 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.627 24.958 16.255 1.00 0.00 C ATOM 0 H VAL A 26 24.196 24.462 14.138 1.00 0.00 H new ATOM 0 HA VAL A 26 23.858 27.130 15.062 1.00 0.00 H new ATOM 0 HB VAL A 26 24.716 24.700 16.505 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.737 25.908 18.484 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.119 26.774 17.773 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.459 27.325 17.443 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.354 24.460 17.185 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.918 25.760 16.052 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.604 24.238 15.437 1.00 0.00 H new ATOM 417 N LYS A 27 26.959 25.876 15.241 1.00 0.00 N ATOM 418 CA LYS A 27 28.396 26.060 15.154 1.00 0.00 C ATOM 419 C LYS A 27 28.898 27.122 14.172 1.00 0.00 C ATOM 420 O LYS A 27 29.746 27.952 14.457 1.00 0.00 O ATOM 421 CB LYS A 27 29.154 24.740 15.073 1.00 0.00 C ATOM 422 CG LYS A 27 29.205 23.798 16.271 1.00 0.00 C ATOM 423 CD LYS A 27 30.334 22.786 16.071 1.00 0.00 C ATOM 424 CE LYS A 27 30.525 21.858 17.266 1.00 0.00 C ATOM 425 NZ LYS A 27 31.538 20.875 16.844 1.00 0.00 N ATOM 0 H LYS A 27 26.737 24.886 15.346 1.00 0.00 H new ATOM 0 HA LYS A 27 28.646 26.512 16.114 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.731 24.178 14.240 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.184 24.977 14.807 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.368 24.365 17.187 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.252 23.280 16.382 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.125 22.188 15.184 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.264 23.321 15.882 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.858 22.412 18.144 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.590 21.367 17.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.209 19.916 17.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.688 20.950 15.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.433 21.064 17.339 1.00 0.00 H new ATOM 439 N ALA A 28 28.215 27.112 13.027 1.00 0.00 N ATOM 440 CA ALA A 28 28.627 27.979 11.941 1.00 0.00 C ATOM 441 C ALA A 28 28.059 29.394 12.112 1.00 0.00 C ATOM 442 O ALA A 28 28.786 30.315 11.750 1.00 0.00 O ATOM 443 CB ALA A 28 28.097 27.425 10.619 1.00 0.00 C ATOM 0 H ALA A 28 27.399 26.530 12.837 1.00 0.00 H new ATOM 0 HA ALA A 28 29.716 28.021 11.946 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.406 28.076 9.801 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.498 26.424 10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.009 27.379 10.654 1.00 0.00 H new ATOM 449 N LYS A 29 27.004 29.561 12.891 1.00 0.00 N ATOM 450 CA LYS A 29 26.392 30.846 13.203 1.00 0.00 C ATOM 451 C LYS A 29 27.078 31.463 14.417 1.00 0.00 C ATOM 452 O LYS A 29 26.930 32.664 14.632 1.00 0.00 O ATOM 453 CB LYS A 29 24.908 30.624 13.496 1.00 0.00 C ATOM 454 CG LYS A 29 24.092 30.343 12.236 1.00 0.00 C ATOM 455 CD LYS A 29 22.579 30.215 12.437 1.00 0.00 C ATOM 456 CE LYS A 29 22.062 28.790 12.203 1.00 0.00 C ATOM 457 NZ LYS A 29 20.602 28.683 12.026 1.00 0.00 N ATOM 0 H LYS A 29 26.531 28.778 13.341 1.00 0.00 H new ATOM 0 HA LYS A 29 26.502 31.526 12.358 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.800 29.788 14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.505 31.505 13.995 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.278 31.143 11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.459 29.421 11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.325 30.526 13.450 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.069 30.897 11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.552 28.381 11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.358 28.168 13.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.284 27.739 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.128 29.407 12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.362 28.828 11.024 1.00 0.00 H new ATOM 471 N ILE A 30 27.857 30.651 15.133 1.00 0.00 N ATOM 472 CA ILE A 30 28.874 31.053 16.088 1.00 0.00 C ATOM 473 C ILE A 30 30.078 31.576 15.301 1.00 0.00 C ATOM 474 O ILE A 30 30.424 32.738 15.453 1.00 0.00 O ATOM 475 CB ILE A 30 29.227 29.944 17.087 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.060 29.376 17.893 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.288 30.502 18.040 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.283 28.157 18.778 1.00 0.00 C ATOM 0 H ILE A 30 27.786 29.637 15.052 1.00 0.00 H new ATOM 0 HA ILE A 30 28.490 31.853 16.721 1.00 0.00 H new ATOM 0 HB ILE A 30 29.583 29.099 16.498 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.682 30.177 18.529 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.267 29.127 17.188 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.563 29.737 18.766 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.170 30.796 17.471 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.887 31.371 18.562 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.349 27.892 19.274 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.619 27.320 18.166 1.00 0.00 H new ATOM 0 HD13 ILE A 30 29.041 28.385 19.528 1.00 0.00 H new ATOM 490 N GLN A 31 30.600 30.829 14.327 1.00 0.00 N ATOM 491 CA GLN A 31 31.762 31.034 13.490 1.00 0.00 C ATOM 492 C GLN A 31 31.539 32.252 12.594 1.00 0.00 C ATOM 493 O GLN A 31 32.533 32.913 12.312 1.00 0.00 O ATOM 494 CB GLN A 31 31.922 29.797 12.613 1.00 0.00 C ATOM 495 CG GLN A 31 33.024 29.805 11.560 1.00 0.00 C ATOM 496 CD GLN A 31 33.104 28.695 10.522 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.102 28.086 10.139 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.229 28.263 9.972 1.00 0.00 N ATOM 0 H GLN A 31 30.147 29.948 14.082 1.00 0.00 H new ATOM 0 HA GLN A 31 32.649 31.198 14.102 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.092 28.943 13.268 1.00 0.00 H new ATOM 0 HB3 GLN A 31 30.974 29.624 12.103 1.00 0.00 H new ATOM 0 HG2 GLN A 31 32.946 30.748 11.019 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.976 29.820 12.090 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.118 28.698 10.220 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.207 27.495 9.301 1.00 0.00 H new ATOM 507 N ASP A 32 30.314 32.647 12.261 1.00 0.00 N ATOM 508 CA ASP A 32 29.822 33.845 11.601 1.00 0.00 C ATOM 509 C ASP A 32 30.330 35.145 12.235 1.00 0.00 C ATOM 510 O ASP A 32 30.947 35.918 11.508 1.00 0.00 O ATOM 511 CB ASP A 32 28.310 33.822 11.385 1.00 0.00 C ATOM 512 CG ASP A 32 27.911 35.012 10.527 1.00 0.00 C ATOM 513 OD1 ASP A 32 27.993 34.850 9.291 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.558 36.073 11.088 1.00 0.00 O ATOM 0 H ASP A 32 29.528 32.037 12.485 1.00 0.00 H new ATOM 0 HA ASP A 32 30.261 33.833 10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.014 32.892 10.899 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.793 33.860 12.344 1.00 0.00 H new ATOM 519 N LYS A 33 30.250 35.170 13.558 1.00 0.00 N ATOM 520 CA LYS A 33 30.570 36.364 14.334 1.00 0.00 C ATOM 521 C LYS A 33 31.800 36.233 15.236 1.00 0.00 C ATOM 522 O LYS A 33 32.523 37.206 15.425 1.00 0.00 O ATOM 523 CB LYS A 33 29.366 36.610 15.233 1.00 0.00 C ATOM 524 CG LYS A 33 28.089 37.107 14.557 1.00 0.00 C ATOM 525 CD LYS A 33 28.278 38.560 14.126 1.00 0.00 C ATOM 526 CE LYS A 33 27.317 39.035 13.031 1.00 0.00 C ATOM 527 NZ LYS A 33 27.627 38.611 11.668 1.00 0.00 N ATOM 0 H LYS A 33 29.964 34.370 14.122 1.00 0.00 H new ATOM 0 HA LYS A 33 30.794 37.168 13.632 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.135 35.680 15.753 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.653 37.337 15.993 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.857 36.486 13.692 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.246 37.026 15.243 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.158 39.202 14.999 1.00 0.00 H new ATOM 0 HD3 LYS A 33 29.301 38.690 13.773 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.315 38.683 13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 33 27.287 40.124 13.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.822 38.828 11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 28.471 39.116 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 27.808 37.587 11.656 1.00 0.00 H new ATOM 541 N GLU A 34 32.107 35.060 15.780 1.00 0.00 N ATOM 542 CA GLU A 34 33.249 34.879 16.653 1.00 0.00 C ATOM 543 C GLU A 34 34.554 34.451 15.975 1.00 0.00 C ATOM 544 O GLU A 34 35.646 34.692 16.479 1.00 0.00 O ATOM 545 CB GLU A 34 32.945 33.884 17.775 1.00 0.00 C ATOM 546 CG GLU A 34 31.888 34.421 18.737 1.00 0.00 C ATOM 547 CD GLU A 34 32.264 35.634 19.588 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.326 35.626 20.237 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.566 36.664 19.558 1.00 0.00 O ATOM 0 H GLU A 34 31.566 34.209 15.624 1.00 0.00 H new ATOM 0 HA GLU A 34 33.417 35.883 17.042 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.600 32.944 17.344 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.860 33.666 18.325 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.003 34.679 18.155 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.603 33.612 19.410 1.00 0.00 H new ATOM 556 N GLY A 35 34.316 33.667 14.930 1.00 0.00 N ATOM 557 CA GLY A 35 35.321 33.236 13.968 1.00 0.00 C ATOM 558 C GLY A 35 36.021 31.939 14.363 1.00 0.00 C ATOM 559 O GLY A 35 37.003 31.676 13.665 1.00 0.00 O ATOM 0 H GLY A 35 33.386 33.302 14.723 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.848 33.103 12.995 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.067 34.023 13.856 1.00 0.00 H new ATOM 563 N ILE A 36 35.579 31.175 15.355 1.00 0.00 N ATOM 564 CA ILE A 36 36.322 30.038 15.848 1.00 0.00 C ATOM 565 C ILE A 36 35.734 28.912 14.992 1.00 0.00 C ATOM 566 O ILE A 36 34.530 28.784 14.824 1.00 0.00 O ATOM 567 CB ILE A 36 36.098 29.762 17.340 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.335 31.057 18.098 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.973 28.588 17.803 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.001 30.960 19.590 1.00 0.00 C ATOM 0 H ILE A 36 34.693 31.333 15.836 1.00 0.00 H new ATOM 0 HA ILE A 36 37.401 30.170 15.773 1.00 0.00 H new ATOM 0 HB ILE A 36 35.074 29.447 17.542 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.379 31.349 17.985 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.733 31.847 17.649 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.803 28.404 18.864 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.715 27.695 17.234 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.023 28.831 17.640 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.194 31.920 20.069 1.00 0.00 H new ATOM 0 HD12 ILE A 36 34.950 30.698 19.711 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.622 30.193 20.053 1.00 0.00 H new ATOM 582 N PRO A 37 36.585 28.000 14.530 1.00 0.00 N ATOM 583 CA PRO A 37 36.142 26.978 13.605 1.00 0.00 C ATOM 584 C PRO A 37 35.443 25.812 14.309 1.00 0.00 C ATOM 585 O PRO A 37 35.574 25.654 15.522 1.00 0.00 O ATOM 586 CB PRO A 37 37.448 26.599 12.895 1.00 0.00 C ATOM 587 CG PRO A 37 38.599 26.885 13.854 1.00 0.00 C ATOM 588 CD PRO A 37 38.026 28.091 14.598 1.00 0.00 C ATOM 0 HA PRO A 37 35.373 27.310 12.907 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.438 25.546 12.613 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.564 27.174 11.976 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.808 26.046 14.518 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.528 27.118 13.333 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.361 28.096 15.635 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.373 29.020 14.146 1.00 0.00 H new ATOM 596 N PRO A 38 34.658 25.032 13.574 1.00 0.00 N ATOM 597 CA PRO A 38 33.799 24.025 14.153 1.00 0.00 C ATOM 598 C PRO A 38 34.451 22.933 15.014 1.00 0.00 C ATOM 599 O PRO A 38 33.873 22.507 16.012 1.00 0.00 O ATOM 600 CB PRO A 38 32.956 23.582 12.953 1.00 0.00 C ATOM 601 CG PRO A 38 33.747 23.838 11.674 1.00 0.00 C ATOM 602 CD PRO A 38 34.615 25.009 12.121 1.00 0.00 C ATOM 0 HA PRO A 38 33.188 24.420 14.965 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.707 22.524 13.037 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.014 24.131 12.930 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.339 22.974 11.371 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.104 24.095 10.832 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.622 24.909 11.715 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.209 25.946 11.740 1.00 0.00 H new ATOM 610 N ASP A 39 35.605 22.428 14.585 1.00 0.00 N ATOM 611 CA ASP A 39 36.314 21.333 15.200 1.00 0.00 C ATOM 612 C ASP A 39 36.946 21.628 16.556 1.00 0.00 C ATOM 613 O ASP A 39 37.303 20.689 17.255 1.00 0.00 O ATOM 614 CB ASP A 39 37.340 20.781 14.212 1.00 0.00 C ATOM 615 CG ASP A 39 38.678 21.502 14.217 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.840 22.671 13.813 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.643 20.764 14.511 1.00 0.00 O ATOM 0 H ASP A 39 36.084 22.794 13.762 1.00 0.00 H new ATOM 0 HA ASP A 39 35.559 20.582 15.434 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.509 19.728 14.436 1.00 0.00 H new ATOM 0 HB3 ASP A 39 36.920 20.830 13.207 1.00 0.00 H new ATOM 622 N GLN A 40 36.976 22.914 16.922 1.00 0.00 N ATOM 623 CA GLN A 40 37.386 23.355 18.230 1.00 0.00 C ATOM 624 C GLN A 40 36.281 23.557 19.273 1.00 0.00 C ATOM 625 O GLN A 40 36.544 23.574 20.475 1.00 0.00 O ATOM 626 CB GLN A 40 38.102 24.708 18.139 1.00 0.00 C ATOM 627 CG GLN A 40 39.322 24.764 17.213 1.00 0.00 C ATOM 628 CD GLN A 40 40.197 25.995 17.375 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.195 26.709 18.375 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.013 26.255 16.365 1.00 0.00 N ATOM 0 H GLN A 40 36.710 23.676 16.299 1.00 0.00 H new ATOM 0 HA GLN A 40 38.014 22.530 18.565 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.382 25.455 17.804 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.418 24.997 19.141 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.932 23.878 17.387 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.977 24.715 16.180 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.008 25.657 15.539 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.646 27.053 16.413 1.00 0.00 H new ATOM 639 N GLN A 41 35.026 23.664 18.836 1.00 0.00 N ATOM 640 CA GLN A 41 33.892 23.966 19.676 1.00 0.00 C ATOM 641 C GLN A 41 33.304 22.655 20.216 1.00 0.00 C ATOM 642 O GLN A 41 33.057 21.683 19.503 1.00 0.00 O ATOM 643 CB GLN A 41 32.822 24.598 18.785 1.00 0.00 C ATOM 644 CG GLN A 41 33.208 25.966 18.209 1.00 0.00 C ATOM 645 CD GLN A 41 32.927 27.054 19.235 1.00 0.00 C ATOM 646 OE1 GLN A 41 33.393 26.909 20.367 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.300 28.169 18.873 1.00 0.00 N ATOM 0 H GLN A 41 34.775 23.537 17.856 1.00 0.00 H new ATOM 0 HA GLN A 41 34.191 24.621 20.495 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.604 23.918 17.961 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.903 24.706 19.361 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.264 25.972 17.938 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.644 26.159 17.297 1.00 0.00 H new ATOM 0 HE21 GLN A 41 31.925 28.260 17.929 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.194 28.934 19.539 1.00 0.00 H new ATOM 656 N ARG A 42 32.857 22.737 21.468 1.00 0.00 N ATOM 657 CA ARG A 42 32.416 21.614 22.277 1.00 0.00 C ATOM 658 C ARG A 42 31.260 22.194 23.095 1.00 0.00 C ATOM 659 O ARG A 42 31.475 22.814 24.140 1.00 0.00 O ATOM 660 CB ARG A 42 33.534 21.119 23.188 1.00 0.00 C ATOM 661 CG ARG A 42 33.309 19.706 23.711 1.00 0.00 C ATOM 662 CD ARG A 42 32.211 19.567 24.770 1.00 0.00 C ATOM 663 NE ARG A 42 32.544 18.557 25.776 1.00 0.00 N ATOM 664 CZ ARG A 42 32.254 17.261 25.636 1.00 0.00 C ATOM 665 NH1 ARG A 42 31.527 16.748 24.631 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.715 16.382 26.534 1.00 0.00 N ATOM 0 H ARG A 42 32.792 23.627 21.962 1.00 0.00 H new ATOM 0 HA ARG A 42 32.123 20.752 21.678 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.477 21.150 22.643 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.632 21.800 24.034 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.062 19.060 22.869 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.245 19.339 24.132 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.055 20.529 25.259 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.272 19.300 24.286 1.00 0.00 H new ATOM 0 HE ARG A 42 33.021 18.858 26.626 1.00 0.00 H new ATOM 0 HH11 ARG A 42 31.154 17.361 23.906 1.00 0.00 H new ATOM 0 HH12 ARG A 42 31.347 15.745 24.592 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.283 16.704 27.318 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.498 15.390 26.435 1.00 0.00 H new ATOM 680 N LEU A 43 30.065 21.962 22.579 1.00 0.00 N ATOM 681 CA LEU A 43 28.850 22.593 23.048 1.00 0.00 C ATOM 682 C LEU A 43 28.123 21.582 23.947 1.00 0.00 C ATOM 683 O LEU A 43 28.030 20.437 23.500 1.00 0.00 O ATOM 684 CB LEU A 43 28.004 23.046 21.864 1.00 0.00 C ATOM 685 CG LEU A 43 28.614 24.124 20.972 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.764 24.251 19.704 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.630 25.538 21.553 1.00 0.00 C ATOM 0 H LEU A 43 29.913 21.315 21.805 1.00 0.00 H new ATOM 0 HA LEU A 43 29.063 23.491 23.629 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.784 22.175 21.247 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.052 23.415 22.245 1.00 0.00 H new ATOM 0 HG LEU A 43 29.643 23.795 20.823 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.189 25.018 19.057 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.753 23.297 19.177 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.745 24.528 19.975 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.085 26.221 20.836 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.609 25.857 21.761 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.208 25.545 22.477 1.00 0.00 H new ATOM 699 N ILE A 44 27.663 21.933 25.146 1.00 0.00 N ATOM 700 CA ILE A 44 27.058 21.123 26.176 1.00 0.00 C ATOM 701 C ILE A 44 25.838 21.828 26.771 1.00 0.00 C ATOM 702 O ILE A 44 25.840 23.053 26.670 1.00 0.00 O ATOM 703 CB ILE A 44 28.029 20.659 27.269 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.466 20.405 26.802 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.537 19.503 28.144 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.496 20.028 27.875 1.00 0.00 C ATOM 0 H ILE A 44 27.717 22.907 25.443 1.00 0.00 H new ATOM 0 HA ILE A 44 26.734 20.207 25.682 1.00 0.00 H new ATOM 0 HB ILE A 44 28.053 21.543 27.906 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.444 19.607 26.060 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.820 21.302 26.295 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.300 19.255 28.882 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.620 19.798 28.654 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.341 18.632 27.519 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.469 19.877 27.408 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.567 20.830 28.609 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.185 19.109 28.371 1.00 0.00 H new ATOM 718 N PHE A 45 24.801 21.086 27.152 1.00 0.00 N ATOM 719 CA PHE A 45 23.542 21.485 27.747 1.00 0.00 C ATOM 720 C PHE A 45 23.273 20.671 29.018 1.00 0.00 C ATOM 721 O PHE A 45 24.165 19.929 29.398 1.00 0.00 O ATOM 722 CB PHE A 45 22.463 21.363 26.663 1.00 0.00 C ATOM 723 CG PHE A 45 21.062 21.892 26.861 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.832 23.203 27.288 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.978 21.015 26.800 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.571 23.596 27.742 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.684 21.383 27.208 1.00 0.00 C ATOM 728 CZ PHE A 45 18.514 22.674 27.712 1.00 0.00 C ATOM 0 H PHE A 45 24.834 20.073 27.034 1.00 0.00 H new ATOM 0 HA PHE A 45 23.553 22.521 28.084 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.858 21.848 25.771 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.368 20.302 26.433 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.639 23.920 27.267 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.139 20.015 26.425 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.411 24.598 28.112 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.855 20.695 27.135 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.546 22.970 28.088 1.00 0.00 H new ATOM 738 N ALA A 46 22.082 20.715 29.604 1.00 0.00 N ATOM 739 CA ALA A 46 21.563 20.113 30.816 1.00 0.00 C ATOM 740 C ALA A 46 21.718 18.622 31.108 1.00 0.00 C ATOM 741 O ALA A 46 20.749 17.933 31.410 1.00 0.00 O ATOM 742 CB ALA A 46 20.098 20.553 30.984 1.00 0.00 C ATOM 0 H ALA A 46 21.346 21.265 29.161 1.00 0.00 H new ATOM 0 HA ALA A 46 22.253 20.498 31.567 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.687 20.111 31.891 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.050 21.640 31.056 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.517 20.221 30.123 1.00 0.00 H new ATOM 748 N GLY A 47 22.932 18.095 30.966 1.00 0.00 N ATOM 749 CA GLY A 47 23.319 16.716 31.172 1.00 0.00 C ATOM 750 C GLY A 47 23.772 16.118 29.835 1.00 0.00 C ATOM 751 O GLY A 47 24.311 15.018 29.812 1.00 0.00 O ATOM 0 H GLY A 47 23.725 18.671 30.682 1.00 0.00 H new ATOM 0 HA2 GLY A 47 24.125 16.657 31.903 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.481 16.146 31.574 1.00 0.00 H new ATOM 755 N LYS A 48 23.495 16.808 28.739 1.00 0.00 N ATOM 756 CA LYS A 48 23.759 16.419 27.358 1.00 0.00 C ATOM 757 C LYS A 48 24.862 17.195 26.638 1.00 0.00 C ATOM 758 O LYS A 48 24.872 18.420 26.516 1.00 0.00 O ATOM 759 CB LYS A 48 22.438 16.144 26.635 1.00 0.00 C ATOM 760 CG LYS A 48 21.783 14.854 27.140 1.00 0.00 C ATOM 761 CD LYS A 48 20.693 14.197 26.295 1.00 0.00 C ATOM 762 CE LYS A 48 20.151 12.915 26.930 1.00 0.00 C ATOM 763 NZ LYS A 48 19.092 12.283 26.131 1.00 0.00 N ATOM 0 H LYS A 48 23.047 17.723 28.794 1.00 0.00 H new ATOM 0 HA LYS A 48 24.279 15.461 27.353 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.758 16.982 26.785 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.617 16.067 25.563 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.574 14.119 27.286 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.357 15.063 28.121 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.874 14.902 26.152 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.092 13.968 25.307 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.970 12.208 27.063 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.763 13.144 27.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.764 11.420 26.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.296 12.944 26.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.465 12.037 25.192 1.00 0.00 H new ATOM 777 N GLN A 49 25.818 16.452 26.088 1.00 0.00 N ATOM 778 CA GLN A 49 26.863 16.811 25.153 1.00 0.00 C ATOM 779 C GLN A 49 26.247 16.717 23.755 1.00 0.00 C ATOM 780 O GLN A 49 25.631 15.692 23.469 1.00 0.00 O ATOM 781 CB GLN A 49 28.067 15.867 25.183 1.00 0.00 C ATOM 782 CG GLN A 49 28.811 15.852 26.525 1.00 0.00 C ATOM 783 CD GLN A 49 29.718 14.622 26.516 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.391 14.275 25.549 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.585 13.918 27.629 1.00 0.00 N ATOM 0 H GLN A 49 25.879 15.461 26.322 1.00 0.00 H new ATOM 0 HA GLN A 49 27.225 17.804 25.419 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.730 14.856 24.954 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.763 16.156 24.396 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.396 16.763 26.652 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.107 15.807 27.356 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.007 14.273 28.391 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.060 13.021 27.725 1.00 0.00 H new ATOM 794 N LEU A 50 26.384 17.736 22.927 1.00 0.00 N ATOM 795 CA LEU A 50 25.590 17.974 21.740 1.00 0.00 C ATOM 796 C LEU A 50 26.501 17.663 20.548 1.00 0.00 C ATOM 797 O LEU A 50 27.594 18.210 20.655 1.00 0.00 O ATOM 798 CB LEU A 50 25.243 19.467 21.766 1.00 0.00 C ATOM 799 CG LEU A 50 24.561 20.046 23.004 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.389 21.548 22.763 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.268 19.325 23.376 1.00 0.00 C ATOM 0 H LEU A 50 27.090 18.457 23.074 1.00 0.00 H new ATOM 0 HA LEU A 50 24.682 17.373 21.682 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.167 20.023 21.609 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.600 19.671 20.910 1.00 0.00 H new ATOM 0 HG LEU A 50 25.184 19.888 23.884 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.904 22.002 23.627 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.366 22.007 22.613 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.774 21.706 21.877 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.836 19.787 24.264 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.561 19.396 22.549 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.482 18.276 23.581 1.00 0.00 H new ATOM 813 N GLU A 51 26.040 16.820 19.637 1.00 0.00 N ATOM 814 CA GLU A 51 26.857 16.332 18.543 1.00 0.00 C ATOM 815 C GLU A 51 26.478 17.033 17.235 1.00 0.00 C ATOM 816 O GLU A 51 25.314 17.308 16.983 1.00 0.00 O ATOM 817 CB GLU A 51 26.531 14.849 18.345 1.00 0.00 C ATOM 818 CG GLU A 51 27.182 13.961 17.286 1.00 0.00 C ATOM 819 CD GLU A 51 28.669 13.641 17.280 1.00 0.00 C ATOM 820 OE1 GLU A 51 29.363 14.117 18.210 1.00 0.00 O ATOM 821 OE2 GLU A 51 29.070 12.873 16.379 1.00 0.00 O ATOM 0 H GLU A 51 25.087 16.456 19.638 1.00 0.00 H new ATOM 0 HA GLU A 51 27.906 16.511 18.778 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.720 14.366 19.304 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.457 14.795 18.167 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.659 13.005 17.318 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.958 14.414 16.320 1.00 0.00 H new ATOM 828 N ASP A 52 27.484 17.424 16.452 1.00 0.00 N ATOM 829 CA ASP A 52 27.540 18.001 15.122 1.00 0.00 C ATOM 830 C ASP A 52 26.484 17.761 14.051 1.00 0.00 C ATOM 831 O ASP A 52 25.853 18.646 13.490 1.00 0.00 O ATOM 832 CB ASP A 52 28.972 17.914 14.577 1.00 0.00 C ATOM 833 CG ASP A 52 30.124 18.516 15.369 1.00 0.00 C ATOM 834 OD1 ASP A 52 30.017 18.625 16.609 1.00 0.00 O ATOM 835 OD2 ASP A 52 31.080 19.059 14.764 1.00 0.00 O ATOM 0 H ASP A 52 28.435 17.321 16.807 1.00 0.00 H new ATOM 0 HA ASP A 52 27.208 19.012 15.356 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.198 16.858 14.427 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.974 18.384 13.593 1.00 0.00 H new ATOM 840 N GLY A 53 26.076 16.501 13.870 1.00 0.00 N ATOM 841 CA GLY A 53 25.246 16.023 12.781 1.00 0.00 C ATOM 842 C GLY A 53 23.932 15.437 13.289 1.00 0.00 C ATOM 843 O GLY A 53 23.343 14.542 12.683 1.00 0.00 O ATOM 0 H GLY A 53 26.334 15.756 14.517 1.00 0.00 H new ATOM 0 HA2 GLY A 53 25.037 16.844 12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.788 15.265 12.216 1.00 0.00 H new ATOM 847 N ARG A 54 23.380 15.983 14.366 1.00 0.00 N ATOM 848 CA ARG A 54 22.030 15.826 14.876 1.00 0.00 C ATOM 849 C ARG A 54 21.441 17.243 14.928 1.00 0.00 C ATOM 850 O ARG A 54 22.200 18.208 15.063 1.00 0.00 O ATOM 851 CB ARG A 54 22.113 15.247 16.285 1.00 0.00 C ATOM 852 CG ARG A 54 22.510 13.774 16.374 1.00 0.00 C ATOM 853 CD ARG A 54 21.576 12.941 15.493 1.00 0.00 C ATOM 854 NE ARG A 54 21.674 11.514 15.787 1.00 0.00 N ATOM 855 CZ ARG A 54 20.859 10.607 15.232 1.00 0.00 C ATOM 856 NH1 ARG A 54 19.809 11.006 14.501 1.00 0.00 N ATOM 857 NH2 ARG A 54 21.018 9.309 15.564 1.00 0.00 N ATOM 0 H ARG A 54 23.924 16.608 14.960 1.00 0.00 H new ATOM 0 HA ARG A 54 21.420 15.165 14.261 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.832 15.833 16.857 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.144 15.373 16.767 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.543 13.644 16.052 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.453 13.433 17.408 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.548 13.272 15.641 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.818 13.112 14.444 1.00 0.00 H new ATOM 0 HE ARG A 54 22.390 11.196 16.440 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.630 12.001 14.367 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.189 10.315 14.079 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.746 9.037 16.224 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.410 8.600 15.155 1.00 0.00 H new ATOM 871 N THR A 55 20.123 17.274 15.023 1.00 0.00 N ATOM 872 CA THR A 55 19.272 18.443 15.131 1.00 0.00 C ATOM 873 C THR A 55 19.088 18.974 16.558 1.00 0.00 C ATOM 874 O THR A 55 19.355 18.277 17.534 1.00 0.00 O ATOM 875 CB THR A 55 17.878 18.147 14.576 1.00 0.00 C ATOM 876 OG1 THR A 55 17.215 17.295 15.482 1.00 0.00 O ATOM 877 CG2 THR A 55 17.887 17.429 13.224 1.00 0.00 C ATOM 0 H THR A 55 19.578 16.412 15.027 1.00 0.00 H new ATOM 0 HA THR A 55 19.792 19.208 14.554 1.00 0.00 H new ATOM 0 HB THR A 55 17.388 19.111 14.442 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.641 16.413 15.473 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.862 17.255 12.898 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.402 18.046 12.488 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.404 16.474 13.322 1.00 0.00 H new ATOM 885 N LEU A 56 18.721 20.214 16.850 1.00 0.00 N ATOM 886 CA LEU A 56 18.238 20.756 18.112 1.00 0.00 C ATOM 887 C LEU A 56 16.988 20.077 18.669 1.00 0.00 C ATOM 888 O LEU A 56 16.962 19.882 19.888 1.00 0.00 O ATOM 889 CB LEU A 56 17.963 22.249 17.951 1.00 0.00 C ATOM 890 CG LEU A 56 19.201 23.146 17.836 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.861 24.536 17.294 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.979 23.344 19.135 1.00 0.00 C ATOM 0 H LEU A 56 18.758 20.940 16.134 1.00 0.00 H new ATOM 0 HA LEU A 56 19.031 20.564 18.835 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.350 22.393 17.062 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.372 22.585 18.803 1.00 0.00 H new ATOM 0 HG LEU A 56 19.834 22.595 17.141 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.770 25.134 17.231 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.419 24.442 16.302 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.152 25.024 17.963 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.836 23.992 18.951 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.330 23.803 19.881 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.327 22.378 19.501 1.00 0.00 H new ATOM 904 N SER A 57 16.172 19.538 17.764 1.00 0.00 N ATOM 905 CA SER A 57 15.093 18.579 17.878 1.00 0.00 C ATOM 906 C SER A 57 15.530 17.219 18.420 1.00 0.00 C ATOM 907 O SER A 57 14.923 16.759 19.391 1.00 0.00 O ATOM 908 CB SER A 57 14.136 18.637 16.683 1.00 0.00 C ATOM 909 OG SER A 57 12.831 18.556 17.215 1.00 0.00 O ATOM 0 H SER A 57 16.278 19.814 16.788 1.00 0.00 H new ATOM 0 HA SER A 57 14.436 18.886 18.692 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.270 19.562 16.122 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.326 17.815 15.993 1.00 0.00 H new ATOM 0 HG SER A 57 12.178 18.591 16.485 1.00 0.00 H new ATOM 915 N ASP A 58 16.679 16.646 18.065 1.00 0.00 N ATOM 916 CA ASP A 58 17.207 15.461 18.701 1.00 0.00 C ATOM 917 C ASP A 58 17.664 15.750 20.123 1.00 0.00 C ATOM 918 O ASP A 58 18.003 14.798 20.824 1.00 0.00 O ATOM 919 CB ASP A 58 18.438 14.922 17.965 1.00 0.00 C ATOM 920 CG ASP A 58 18.090 14.326 16.608 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.397 13.291 16.561 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.537 14.939 15.613 1.00 0.00 O ATOM 0 H ASP A 58 17.271 17.004 17.316 1.00 0.00 H new ATOM 0 HA ASP A 58 16.394 14.736 18.685 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.159 15.728 17.830 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.921 14.162 18.579 1.00 0.00 H new ATOM 927 N TYR A 59 17.768 16.998 20.584 1.00 0.00 N ATOM 928 CA TYR A 59 17.869 17.298 21.997 1.00 0.00 C ATOM 929 C TYR A 59 16.641 17.983 22.595 1.00 0.00 C ATOM 930 O TYR A 59 16.761 18.285 23.785 1.00 0.00 O ATOM 931 CB TYR A 59 19.119 18.163 22.084 1.00 0.00 C ATOM 932 CG TYR A 59 20.356 17.463 21.567 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.890 16.360 22.238 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.947 17.750 20.334 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.979 15.634 21.726 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.018 17.049 19.761 1.00 0.00 C ATOM 937 CZ TYR A 59 22.554 15.979 20.501 1.00 0.00 C ATOM 938 OH TYR A 59 23.557 15.251 19.926 1.00 0.00 O ATOM 0 H TYR A 59 17.784 17.822 19.982 1.00 0.00 H new ATOM 0 HA TYR A 59 17.928 16.386 22.591 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.961 19.079 21.515 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.280 18.456 23.121 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.453 16.056 23.178 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.545 18.582 19.775 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.376 14.800 22.286 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.414 17.319 18.793 1.00 0.00 H new ATOM 0 HH TYR A 59 23.498 15.326 18.951 1.00 0.00 H new ATOM 948 N ASN A 60 15.562 18.135 21.829 1.00 0.00 N ATOM 949 CA ASN A 60 14.356 18.889 22.089 1.00 0.00 C ATOM 950 C ASN A 60 14.619 20.169 22.886 1.00 0.00 C ATOM 951 O ASN A 60 14.139 20.353 24.005 1.00 0.00 O ATOM 952 CB ASN A 60 13.130 18.120 22.578 1.00 0.00 C ATOM 953 CG ASN A 60 13.279 17.230 23.806 1.00 0.00 C ATOM 954 OD1 ASN A 60 13.672 16.063 23.769 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.069 17.788 24.993 1.00 0.00 N ATOM 0 H ASN A 60 15.516 17.681 20.917 1.00 0.00 H new ATOM 0 HA ASN A 60 14.047 19.176 21.084 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.344 18.845 22.786 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.779 17.496 21.756 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.233 17.252 25.845 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.744 18.753 25.053 1.00 0.00 H new ATOM 962 N ILE A 61 15.456 21.087 22.404 1.00 0.00 N ATOM 963 CA ILE A 61 15.815 22.404 22.879 1.00 0.00 C ATOM 964 C ILE A 61 14.641 23.389 22.783 1.00 0.00 C ATOM 965 O ILE A 61 14.007 23.488 21.739 1.00 0.00 O ATOM 966 CB ILE A 61 17.054 22.986 22.207 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.152 21.932 22.283 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.378 24.392 22.731 1.00 0.00 C ATOM 969 CD1 ILE A 61 18.669 21.754 23.703 1.00 0.00 C ATOM 0 H ILE A 61 15.967 20.882 21.545 1.00 0.00 H new ATOM 0 HA ILE A 61 16.068 22.263 23.930 1.00 0.00 H new ATOM 0 HB ILE A 61 16.902 23.187 21.146 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.768 20.981 21.914 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.976 22.218 21.630 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.267 24.772 22.228 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.537 25.057 22.533 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.560 24.347 23.805 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.450 20.994 23.713 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.077 22.699 24.063 1.00 0.00 H new ATOM 0 HD13 ILE A 61 17.851 21.442 24.352 1.00 0.00 H new ATOM 981 N GLN A 62 14.349 24.134 23.837 1.00 0.00 N ATOM 982 CA GLN A 62 13.287 25.110 23.953 1.00 0.00 C ATOM 983 C GLN A 62 13.904 26.501 23.818 1.00 0.00 C ATOM 984 O GLN A 62 15.132 26.636 23.813 1.00 0.00 O ATOM 985 CB GLN A 62 12.886 25.065 25.438 1.00 0.00 C ATOM 986 CG GLN A 62 12.263 23.769 25.941 1.00 0.00 C ATOM 987 CD GLN A 62 11.792 23.866 27.385 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.149 22.950 27.890 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.930 24.997 28.080 1.00 0.00 N ATOM 0 H GLN A 62 14.892 24.064 24.697 1.00 0.00 H new ATOM 0 HA GLN A 62 12.492 24.923 23.231 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.774 25.270 26.036 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.182 25.876 25.625 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.418 23.506 25.304 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.991 22.963 25.854 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.459 25.776 27.687 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.507 25.083 29.004 1.00 0.00 H new ATOM 998 N LYS A 63 13.216 27.534 23.355 1.00 0.00 N ATOM 999 CA LYS A 63 13.689 28.902 23.265 1.00 0.00 C ATOM 1000 C LYS A 63 14.342 29.477 24.525 1.00 0.00 C ATOM 1001 O LYS A 63 13.983 29.100 25.641 1.00 0.00 O ATOM 1002 CB LYS A 63 12.493 29.653 22.670 1.00 0.00 C ATOM 1003 CG LYS A 63 11.422 29.920 23.717 1.00 0.00 C ATOM 1004 CD LYS A 63 10.323 30.844 23.175 1.00 0.00 C ATOM 1005 CE LYS A 63 9.122 30.922 24.122 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.187 31.936 23.592 1.00 0.00 N ATOM 0 H LYS A 63 12.260 27.431 23.014 1.00 0.00 H new ATOM 0 HA LYS A 63 14.566 29.002 22.625 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.831 30.598 22.245 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.067 29.071 21.853 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.980 28.976 24.036 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.878 30.373 24.598 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.731 31.843 23.024 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.994 30.483 22.201 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.631 29.952 24.195 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.446 31.191 25.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.361 32.008 24.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.666 32.858 23.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.875 31.657 22.640 1.00 0.00 H new ATOM 1020 N GLU A 64 15.278 30.409 24.355 1.00 0.00 N ATOM 1021 CA GLU A 64 16.000 31.163 25.359 1.00 0.00 C ATOM 1022 C GLU A 64 17.029 30.383 26.181 1.00 0.00 C ATOM 1023 O GLU A 64 17.689 30.934 27.059 1.00 0.00 O ATOM 1024 CB GLU A 64 15.069 32.080 26.159 1.00 0.00 C ATOM 1025 CG GLU A 64 15.814 33.336 26.583 1.00 0.00 C ATOM 1026 CD GLU A 64 14.869 34.250 27.335 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.181 33.738 28.246 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.846 35.428 26.916 1.00 0.00 O ATOM 0 H GLU A 64 15.573 30.675 23.416 1.00 0.00 H new ATOM 0 HA GLU A 64 16.663 31.823 24.800 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.202 32.348 25.555 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.695 31.555 27.038 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.663 33.073 27.214 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.214 33.848 25.708 1.00 0.00 H new ATOM 1035 N SER A 65 17.283 29.146 25.778 1.00 0.00 N ATOM 1036 CA SER A 65 18.244 28.239 26.381 1.00 0.00 C ATOM 1037 C SER A 65 19.641 28.839 26.227 1.00 0.00 C ATOM 1038 O SER A 65 19.998 29.421 25.211 1.00 0.00 O ATOM 1039 CB SER A 65 18.135 26.806 25.860 1.00 0.00 C ATOM 1040 OG SER A 65 16.903 26.147 26.093 1.00 0.00 O ATOM 0 H SER A 65 16.800 28.729 24.982 1.00 0.00 H new ATOM 0 HA SER A 65 18.019 28.140 27.443 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.320 26.817 24.786 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.931 26.215 26.314 1.00 0.00 H new ATOM 0 HG SER A 65 16.300 26.304 25.337 1.00 0.00 H new ATOM 1046 N THR A 66 20.493 28.762 27.251 1.00 0.00 N ATOM 1047 CA THR A 66 21.917 29.013 27.112 1.00 0.00 C ATOM 1048 C THR A 66 22.561 27.625 27.134 1.00 0.00 C ATOM 1049 O THR A 66 22.106 26.706 27.804 1.00 0.00 O ATOM 1050 CB THR A 66 22.262 29.826 28.357 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.706 31.108 28.191 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.700 30.324 28.536 1.00 0.00 C ATOM 0 H THR A 66 20.208 28.523 28.201 1.00 0.00 H new ATOM 0 HA THR A 66 22.240 29.543 26.216 1.00 0.00 H new ATOM 0 HB THR A 66 21.954 29.144 29.149 1.00 0.00 H new ATOM 0 HG1 THR A 66 22.039 31.703 28.895 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.778 30.883 29.468 1.00 0.00 H new ATOM 0 HG22 THR A 66 24.379 29.472 28.566 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.967 30.972 27.701 1.00 0.00 H new ATOM 1060 N LEU A 67 23.548 27.446 26.261 1.00 0.00 N ATOM 1061 CA LEU A 67 24.427 26.316 26.059 1.00 0.00 C ATOM 1062 C LEU A 67 25.700 26.639 26.854 1.00 0.00 C ATOM 1063 O LEU A 67 26.205 27.738 27.016 1.00 0.00 O ATOM 1064 CB LEU A 67 24.747 26.001 24.599 1.00 0.00 C ATOM 1065 CG LEU A 67 23.572 25.624 23.707 1.00 0.00 C ATOM 1066 CD1 LEU A 67 24.149 25.250 22.337 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.658 24.529 24.245 1.00 0.00 C ATOM 0 H LEU A 67 23.771 28.189 25.599 1.00 0.00 H new ATOM 0 HA LEU A 67 23.930 25.409 26.403 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.240 26.870 24.163 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.467 25.183 24.577 1.00 0.00 H new ATOM 0 HG LEU A 67 22.909 26.488 23.653 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.338 24.972 21.664 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.687 26.103 21.924 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.833 24.409 22.448 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.856 24.341 23.531 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.233 23.615 24.394 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.230 24.847 25.196 1.00 0.00 H new ATOM 1079 N HIS A 68 26.344 25.593 27.372 1.00 0.00 N ATOM 1080 CA HIS A 68 27.676 25.642 27.945 1.00 0.00 C ATOM 1081 C HIS A 68 28.741 25.403 26.867 1.00 0.00 C ATOM 1082 O HIS A 68 28.709 24.366 26.218 1.00 0.00 O ATOM 1083 CB HIS A 68 27.739 24.627 29.086 1.00 0.00 C ATOM 1084 CG HIS A 68 29.044 24.519 29.840 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.664 25.561 30.526 1.00 0.00 N ATOM 1086 CD2 HIS A 68 29.797 23.391 30.030 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.692 25.058 31.224 1.00 0.00 C ATOM 1088 NE2 HIS A 68 30.721 23.733 30.997 1.00 0.00 N ATOM 0 H HIS A 68 25.933 24.660 27.402 1.00 0.00 H new ATOM 0 HA HIS A 68 27.888 26.631 28.352 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.954 24.873 29.801 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.502 23.644 28.678 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.691 22.439 29.531 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.372 25.614 31.853 1.00 0.00 H new ATOM 0 HE2 HIS A 68 31.338 23.074 31.472 1.00 0.00 H new ATOM 1096 N LEU A 69 29.742 26.249 26.655 1.00 0.00 N ATOM 1097 CA LEU A 69 30.649 26.132 25.535 1.00 0.00 C ATOM 1098 C LEU A 69 32.036 25.988 26.163 1.00 0.00 C ATOM 1099 O LEU A 69 32.378 26.785 27.037 1.00 0.00 O ATOM 1100 CB LEU A 69 30.556 27.375 24.657 1.00 0.00 C ATOM 1101 CG LEU A 69 31.502 27.593 23.476 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.832 28.598 22.530 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.908 28.111 23.757 1.00 0.00 C ATOM 0 H LEU A 69 29.943 27.041 27.265 1.00 0.00 H new ATOM 0 HA LEU A 69 30.418 25.284 24.891 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.541 27.407 24.260 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.668 28.237 25.315 1.00 0.00 H new ATOM 0 HG LEU A 69 31.659 26.591 23.076 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.480 28.779 21.673 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.880 28.195 22.186 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.659 29.536 23.058 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.453 28.212 22.818 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.847 29.083 24.247 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.431 27.409 24.407 1.00 0.00 H new ATOM 1115 N VAL A 70 32.830 25.029 25.688 1.00 0.00 N ATOM 1116 CA VAL A 70 34.263 24.953 25.906 1.00 0.00 C ATOM 1117 C VAL A 70 35.038 24.684 24.614 1.00 0.00 C ATOM 1118 O VAL A 70 34.509 24.793 23.510 1.00 0.00 O ATOM 1119 CB VAL A 70 34.633 23.961 27.009 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.110 24.322 28.394 1.00 0.00 C ATOM 1121 CG2 VAL A 70 34.234 22.516 26.724 1.00 0.00 C ATOM 0 H VAL A 70 32.474 24.259 25.121 1.00 0.00 H new ATOM 0 HA VAL A 70 34.568 25.940 26.255 1.00 0.00 H new ATOM 0 HB VAL A 70 35.720 24.040 27.008 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.422 23.562 29.110 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.512 25.290 28.694 1.00 0.00 H new ATOM 0 HG13 VAL A 70 33.021 24.373 28.370 1.00 0.00 H new ATOM 0 HG21 VAL A 70 34.535 21.884 27.559 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.153 22.456 26.595 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.728 22.175 25.814 1.00 0.00 H new ATOM 1131 N LEU A 71 36.340 24.482 24.800 1.00 0.00 N ATOM 1132 CA LEU A 71 37.225 23.984 23.772 1.00 0.00 C ATOM 1133 C LEU A 71 37.164 22.456 23.763 1.00 0.00 C ATOM 1134 O LEU A 71 37.149 21.823 24.822 1.00 0.00 O ATOM 1135 CB LEU A 71 38.613 24.484 24.166 1.00 0.00 C ATOM 1136 CG LEU A 71 39.767 24.041 23.271 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.892 24.684 21.891 1.00 0.00 C ATOM 1138 CD2 LEU A 71 41.102 24.186 23.990 1.00 0.00 C ATOM 0 H LEU A 71 36.809 24.665 25.687 1.00 0.00 H new ATOM 0 HA LEU A 71 36.958 24.324 22.771 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.592 25.574 24.184 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.821 24.152 25.183 1.00 0.00 H new ATOM 0 HG LEU A 71 39.507 23.002 23.071 1.00 0.00 H new ATOM 0 HD11 LEU A 71 40.757 24.269 21.373 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.991 24.481 21.312 1.00 0.00 H new ATOM 0 HD13 LEU A 71 40.017 25.761 22.001 1.00 0.00 H new ATOM 0 HD21 LEU A 71 41.908 23.864 23.330 1.00 0.00 H new ATOM 0 HD22 LEU A 71 41.255 25.229 24.266 1.00 0.00 H new ATOM 0 HD23 LEU A 71 41.100 23.569 24.889 1.00 0.00 H new