USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= 0.594 K(o=1.3,f=0.2) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.667 K(o=1.3,f=0.2) USER MOD Set 2.1: A 55 THR OG1 : rot 120:sc= 0.207 USER MOD Set 2.2: A 57 SER OG : rot -83:sc= 1.15 USER MOD Set 3.1: A 7 THR OG1 : rot 133:sc= 1.32 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.958 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.3 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.35 (180deg=1.35) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0466 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 25 ASN : amide:sc= -0.0775 K(o=-0.077,f=-1.9) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 1.85 (180deg=1.32) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 1.19 (180deg=1.11) USER MOD Single : A 31 GLN : amide:sc= -0.265 K(o=-0.26,f=-0.85) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 1.01 (180deg=1.01) USER MOD Single : A 40 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.75) USER MOD Single : A 41 GLN : amide:sc= 1.28 K(o=1.3,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.894 K(o=0.89,f=-3.5!) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.53 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 93:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.603 51.837 19.559 1.00 0.00 N ATOM 2 CA MET A 1 32.947 52.265 20.924 1.00 0.00 C ATOM 3 C MET A 1 34.457 52.469 21.060 1.00 0.00 C ATOM 4 O MET A 1 35.200 52.161 20.131 1.00 0.00 O ATOM 5 CB MET A 1 32.346 51.326 21.966 1.00 0.00 C ATOM 6 CG MET A 1 32.850 49.886 22.003 1.00 0.00 C ATOM 7 SD MET A 1 34.445 49.647 22.826 1.00 0.00 S ATOM 8 CE MET A 1 34.436 47.844 22.982 1.00 0.00 C ATOM 0 H1 MET A 1 31.659 51.400 19.560 1.00 0.00 H new ATOM 0 H2 MET A 1 32.602 52.662 18.926 1.00 0.00 H new ATOM 0 H3 MET A 1 33.304 51.145 19.225 1.00 0.00 H new ATOM 0 HA MET A 1 32.495 53.237 21.120 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.515 51.765 22.949 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.268 51.299 21.810 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.104 49.270 22.506 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.929 49.519 20.980 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.353 47.517 23.472 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.576 47.535 23.576 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.373 47.393 21.991 1.00 0.00 H new ATOM 20 N GLN A 2 34.916 53.001 22.189 1.00 0.00 N ATOM 21 CA GLN A 2 36.302 53.353 22.427 1.00 0.00 C ATOM 22 C GLN A 2 36.891 52.659 23.657 1.00 0.00 C ATOM 23 O GLN A 2 36.195 52.497 24.657 1.00 0.00 O ATOM 24 CB GLN A 2 36.383 54.872 22.542 1.00 0.00 C ATOM 25 CG GLN A 2 37.805 55.415 22.440 1.00 0.00 C ATOM 26 CD GLN A 2 37.804 56.941 22.553 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.635 57.662 21.573 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.944 57.489 23.756 1.00 0.00 N ATOM 0 H GLN A 2 34.311 53.203 22.985 1.00 0.00 H new ATOM 0 HA GLN A 2 36.908 53.003 21.591 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.774 55.321 21.757 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.952 55.180 23.495 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.422 54.986 23.230 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.248 55.115 21.491 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.085 56.895 24.574 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.911 58.503 23.862 1.00 0.00 H new ATOM 37 N ILE A 3 38.169 52.295 23.610 1.00 0.00 N ATOM 38 CA ILE A 3 38.932 51.749 24.714 1.00 0.00 C ATOM 39 C ILE A 3 40.334 52.357 24.803 1.00 0.00 C ATOM 40 O ILE A 3 40.834 52.917 23.831 1.00 0.00 O ATOM 41 CB ILE A 3 39.013 50.226 24.652 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.540 49.718 23.313 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.666 49.604 25.011 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.865 48.227 23.305 1.00 0.00 C ATOM 0 H ILE A 3 38.722 52.379 22.757 1.00 0.00 H new ATOM 0 HA ILE A 3 38.393 52.022 25.621 1.00 0.00 H new ATOM 0 HB ILE A 3 39.743 49.908 25.396 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.799 49.923 22.540 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.438 50.278 23.051 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.742 48.518 24.962 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.385 49.903 26.021 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.908 49.947 24.307 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.234 47.940 22.320 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.629 48.017 24.054 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.965 47.657 23.535 1.00 0.00 H new ATOM 56 N PHE A 4 40.980 52.207 25.956 1.00 0.00 N ATOM 57 CA PHE A 4 42.359 52.582 26.200 1.00 0.00 C ATOM 58 C PHE A 4 43.316 51.392 26.129 1.00 0.00 C ATOM 59 O PHE A 4 42.948 50.268 26.468 1.00 0.00 O ATOM 60 CB PHE A 4 42.488 53.257 27.563 1.00 0.00 C ATOM 61 CG PHE A 4 41.776 54.579 27.729 1.00 0.00 C ATOM 62 CD1 PHE A 4 42.305 55.732 27.137 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.638 54.675 28.537 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.697 56.974 27.348 1.00 0.00 C ATOM 65 CE2 PHE A 4 40.034 55.919 28.754 1.00 0.00 C ATOM 66 CZ PHE A 4 40.563 57.072 28.163 1.00 0.00 C ATOM 0 H PHE A 4 40.532 51.803 26.778 1.00 0.00 H new ATOM 0 HA PHE A 4 42.640 53.276 25.408 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.113 52.570 28.321 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.547 53.411 27.769 1.00 0.00 H new ATOM 0 HD1 PHE A 4 43.185 55.662 26.515 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.225 53.788 28.994 1.00 0.00 H new ATOM 0 HE1 PHE A 4 42.103 57.859 26.881 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.157 55.989 29.380 1.00 0.00 H new ATOM 0 HZ PHE A 4 40.099 58.032 28.335 1.00 0.00 H new ATOM 76 N VAL A 5 44.576 51.639 25.784 1.00 0.00 N ATOM 77 CA VAL A 5 45.675 50.704 25.914 1.00 0.00 C ATOM 78 C VAL A 5 46.874 51.391 26.569 1.00 0.00 C ATOM 79 O VAL A 5 47.138 52.556 26.278 1.00 0.00 O ATOM 80 CB VAL A 5 46.060 50.059 24.584 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.064 48.924 24.771 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.854 49.490 23.843 1.00 0.00 C ATOM 0 H VAL A 5 44.865 52.535 25.391 1.00 0.00 H new ATOM 0 HA VAL A 5 45.339 49.891 26.558 1.00 0.00 H new ATOM 0 HB VAL A 5 46.505 50.862 23.997 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.311 48.493 23.801 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.970 49.313 25.236 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.629 48.155 25.410 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.181 49.043 22.904 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.374 48.730 24.459 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.144 50.290 23.635 1.00 0.00 H new ATOM 92 N LYS A 6 47.581 50.697 27.456 1.00 0.00 N ATOM 93 CA LYS A 6 48.626 51.225 28.310 1.00 0.00 C ATOM 94 C LYS A 6 49.934 50.433 28.249 1.00 0.00 C ATOM 95 O LYS A 6 49.913 49.224 28.027 1.00 0.00 O ATOM 96 CB LYS A 6 48.056 51.302 29.723 1.00 0.00 C ATOM 97 CG LYS A 6 48.845 52.214 30.657 1.00 0.00 C ATOM 98 CD LYS A 6 48.150 52.300 32.013 1.00 0.00 C ATOM 99 CE LYS A 6 48.943 53.192 32.964 1.00 0.00 C ATOM 100 NZ LYS A 6 48.186 53.470 34.194 1.00 0.00 N ATOM 0 H LYS A 6 47.428 49.699 27.602 1.00 0.00 H new ATOM 0 HA LYS A 6 48.912 52.216 27.956 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.026 51.655 29.670 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.028 50.299 30.148 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.858 51.831 30.782 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.932 53.209 30.220 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.143 52.697 31.887 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.048 51.302 32.440 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.887 52.709 33.217 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.189 54.130 32.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.752 54.078 34.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.297 53.953 33.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.973 52.576 34.680 1.00 0.00 H new ATOM 114 N THR A 7 51.064 51.107 28.444 1.00 0.00 N ATOM 115 CA THR A 7 52.401 50.551 28.409 1.00 0.00 C ATOM 116 C THR A 7 53.117 50.575 29.762 1.00 0.00 C ATOM 117 O THR A 7 52.783 51.367 30.640 1.00 0.00 O ATOM 118 CB THR A 7 53.290 51.274 27.401 1.00 0.00 C ATOM 119 OG1 THR A 7 53.604 52.570 27.859 1.00 0.00 O ATOM 120 CG2 THR A 7 52.685 51.397 26.005 1.00 0.00 C ATOM 0 H THR A 7 51.065 52.108 28.641 1.00 0.00 H new ATOM 0 HA THR A 7 52.250 49.512 28.115 1.00 0.00 H new ATOM 0 HB THR A 7 54.182 50.653 27.318 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.567 52.727 27.763 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.381 51.923 25.352 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.492 50.402 25.603 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.750 51.954 26.062 1.00 0.00 H new ATOM 128 N LEU A 8 54.170 49.781 29.925 1.00 0.00 N ATOM 129 CA LEU A 8 55.054 49.835 31.071 1.00 0.00 C ATOM 130 C LEU A 8 55.817 51.155 31.200 1.00 0.00 C ATOM 131 O LEU A 8 56.115 51.563 32.321 1.00 0.00 O ATOM 132 CB LEU A 8 56.043 48.672 31.055 1.00 0.00 C ATOM 133 CG LEU A 8 55.457 47.264 31.110 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.583 46.234 31.070 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.644 47.029 32.379 1.00 0.00 C ATOM 0 H LEU A 8 54.434 49.068 29.245 1.00 0.00 H new ATOM 0 HA LEU A 8 54.403 49.758 31.942 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.646 48.753 30.151 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.719 48.791 31.901 1.00 0.00 H new ATOM 0 HG LEU A 8 54.798 47.159 30.248 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.160 45.230 31.110 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.151 46.352 30.147 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.243 46.383 31.924 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.247 46.014 32.374 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.284 47.164 33.251 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.820 47.741 32.420 1.00 0.00 H new ATOM 147 N THR A 9 56.079 51.874 30.113 1.00 0.00 N ATOM 148 CA THR A 9 56.583 53.233 30.133 1.00 0.00 C ATOM 149 C THR A 9 55.563 54.277 30.587 1.00 0.00 C ATOM 150 O THR A 9 55.921 55.441 30.753 1.00 0.00 O ATOM 151 CB THR A 9 57.158 53.646 28.781 1.00 0.00 C ATOM 152 OG1 THR A 9 56.264 53.363 27.729 1.00 0.00 O ATOM 153 CG2 THR A 9 58.483 52.952 28.479 1.00 0.00 C ATOM 0 H THR A 9 55.941 51.512 29.169 1.00 0.00 H new ATOM 0 HA THR A 9 57.375 53.213 30.881 1.00 0.00 H new ATOM 0 HB THR A 9 57.324 54.721 28.849 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.662 53.641 26.878 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.851 53.279 27.507 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.212 53.209 29.248 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.334 51.872 28.466 1.00 0.00 H new ATOM 161 N GLY A 10 54.311 53.899 30.830 1.00 0.00 N ATOM 162 CA GLY A 10 53.261 54.776 31.307 1.00 0.00 C ATOM 163 C GLY A 10 52.568 55.596 30.216 1.00 0.00 C ATOM 164 O GLY A 10 51.836 56.528 30.545 1.00 0.00 O ATOM 0 H GLY A 10 53.995 52.939 30.693 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.511 54.176 31.823 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.684 55.460 32.043 1.00 0.00 H new ATOM 168 N LYS A 11 52.777 55.262 28.946 1.00 0.00 N ATOM 169 CA LYS A 11 52.053 55.839 27.831 1.00 0.00 C ATOM 170 C LYS A 11 50.640 55.256 27.782 1.00 0.00 C ATOM 171 O LYS A 11 50.467 54.071 28.058 1.00 0.00 O ATOM 172 CB LYS A 11 52.807 55.594 26.526 1.00 0.00 C ATOM 173 CG LYS A 11 52.340 56.535 25.420 1.00 0.00 C ATOM 174 CD LYS A 11 53.066 56.294 24.100 1.00 0.00 C ATOM 175 CE LYS A 11 52.724 57.437 23.147 1.00 0.00 C ATOM 176 NZ LYS A 11 53.346 57.258 21.827 1.00 0.00 N ATOM 0 H LYS A 11 53.469 54.568 28.663 1.00 0.00 H new ATOM 0 HA LYS A 11 51.973 56.918 27.966 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.876 55.730 26.692 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.662 54.561 26.210 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.268 56.409 25.269 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.498 57.567 25.735 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.143 56.245 24.263 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.765 55.339 23.670 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.642 57.502 23.032 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.056 58.381 23.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.089 58.055 21.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.380 57.222 21.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.010 56.370 21.402 1.00 0.00 H new ATOM 190 N THR A 12 49.650 56.054 27.389 1.00 0.00 N ATOM 191 CA THR A 12 48.282 55.608 27.217 1.00 0.00 C ATOM 192 C THR A 12 47.707 56.116 25.892 1.00 0.00 C ATOM 193 O THR A 12 47.805 57.302 25.584 1.00 0.00 O ATOM 194 CB THR A 12 47.367 56.025 28.364 1.00 0.00 C ATOM 195 OG1 THR A 12 48.036 56.041 29.605 1.00 0.00 O ATOM 196 CG2 THR A 12 46.182 55.074 28.512 1.00 0.00 C ATOM 0 H THR A 12 49.785 57.043 27.179 1.00 0.00 H new ATOM 0 HA THR A 12 48.319 54.519 27.211 1.00 0.00 H new ATOM 0 HB THR A 12 47.029 57.029 28.108 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.412 56.315 30.309 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.553 55.403 29.339 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.599 55.072 27.591 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.547 54.067 28.712 1.00 0.00 H new ATOM 204 N ILE A 13 47.096 55.218 25.125 1.00 0.00 N ATOM 205 CA ILE A 13 46.557 55.459 23.802 1.00 0.00 C ATOM 206 C ILE A 13 45.076 55.081 23.726 1.00 0.00 C ATOM 207 O ILE A 13 44.620 54.251 24.509 1.00 0.00 O ATOM 208 CB ILE A 13 47.386 54.747 22.737 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.283 53.227 22.823 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.835 55.223 22.793 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.052 52.461 21.751 1.00 0.00 C ATOM 0 H ILE A 13 46.959 54.255 25.431 1.00 0.00 H new ATOM 0 HA ILE A 13 46.621 56.528 23.601 1.00 0.00 H new ATOM 0 HB ILE A 13 46.970 55.014 21.766 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.643 52.910 23.802 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.231 52.946 22.763 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.417 54.708 22.029 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.872 56.298 22.615 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.252 55.004 23.776 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.914 51.390 21.900 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.679 52.741 20.766 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.112 52.704 21.820 1.00 0.00 H new ATOM 223 N THR A 14 44.340 55.641 22.771 1.00 0.00 N ATOM 224 CA THR A 14 42.961 55.303 22.480 1.00 0.00 C ATOM 225 C THR A 14 42.807 54.564 21.150 1.00 0.00 C ATOM 226 O THR A 14 43.520 54.853 20.192 1.00 0.00 O ATOM 227 CB THR A 14 42.022 56.505 22.524 1.00 0.00 C ATOM 228 OG1 THR A 14 42.558 57.639 21.880 1.00 0.00 O ATOM 229 CG2 THR A 14 41.695 56.918 23.956 1.00 0.00 C ATOM 0 H THR A 14 44.707 56.370 22.158 1.00 0.00 H new ATOM 0 HA THR A 14 42.666 54.628 23.283 1.00 0.00 H new ATOM 0 HB THR A 14 41.123 56.175 22.003 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.918 58.379 21.935 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.024 57.777 23.943 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.212 56.088 24.473 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.615 57.184 24.477 1.00 0.00 H new ATOM 237 N LEU A 15 41.863 53.629 21.105 1.00 0.00 N ATOM 238 CA LEU A 15 41.469 52.872 19.932 1.00 0.00 C ATOM 239 C LEU A 15 39.947 52.876 19.778 1.00 0.00 C ATOM 240 O LEU A 15 39.229 52.865 20.776 1.00 0.00 O ATOM 241 CB LEU A 15 41.953 51.431 20.048 1.00 0.00 C ATOM 242 CG LEU A 15 43.452 51.224 20.250 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.717 49.738 20.472 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.300 51.671 19.062 1.00 0.00 C ATOM 0 H LEU A 15 41.327 53.369 21.933 1.00 0.00 H new ATOM 0 HA LEU A 15 41.921 53.341 19.058 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.430 50.963 20.882 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.655 50.898 19.145 1.00 0.00 H new ATOM 0 HG LEU A 15 43.735 51.835 21.107 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.785 49.577 20.618 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.175 49.400 21.355 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.380 49.174 19.602 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.353 51.493 19.279 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.012 51.106 18.176 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.142 52.734 18.881 1.00 0.00 H new ATOM 256 N GLU A 16 39.457 52.820 18.543 1.00 0.00 N ATOM 257 CA GLU A 16 38.048 52.746 18.210 1.00 0.00 C ATOM 258 C GLU A 16 37.718 51.408 17.545 1.00 0.00 C ATOM 259 O GLU A 16 38.392 50.993 16.605 1.00 0.00 O ATOM 260 CB GLU A 16 37.649 53.912 17.311 1.00 0.00 C ATOM 261 CG GLU A 16 37.771 55.272 17.992 1.00 0.00 C ATOM 262 CD GLU A 16 37.332 56.441 17.107 1.00 0.00 C ATOM 263 OE1 GLU A 16 37.413 57.594 17.585 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.834 56.249 15.978 1.00 0.00 O ATOM 0 H GLU A 16 40.058 52.825 17.719 1.00 0.00 H new ATOM 0 HA GLU A 16 37.473 52.815 19.133 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.275 53.904 16.418 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.620 53.771 16.980 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.169 55.269 18.901 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.807 55.426 18.296 1.00 0.00 H new ATOM 271 N VAL A 17 36.708 50.717 18.066 1.00 0.00 N ATOM 272 CA VAL A 17 36.419 49.317 17.831 1.00 0.00 C ATOM 273 C VAL A 17 34.929 49.007 17.994 1.00 0.00 C ATOM 274 O VAL A 17 34.185 49.766 18.611 1.00 0.00 O ATOM 275 CB VAL A 17 37.208 48.433 18.791 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.708 48.420 18.505 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.013 48.813 20.256 1.00 0.00 C ATOM 0 H VAL A 17 36.035 51.149 18.699 1.00 0.00 H new ATOM 0 HA VAL A 17 36.713 49.106 16.803 1.00 0.00 H new ATOM 0 HB VAL A 17 36.799 47.438 18.617 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.210 47.772 19.224 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.883 48.046 17.496 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.104 49.432 18.591 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.601 48.146 20.886 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.340 49.841 20.412 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.959 48.724 20.518 1.00 0.00 H new ATOM 287 N GLU A 18 34.493 47.847 17.510 1.00 0.00 N ATOM 288 CA GLU A 18 33.253 47.204 17.898 1.00 0.00 C ATOM 289 C GLU A 18 33.538 45.996 18.792 1.00 0.00 C ATOM 290 O GLU A 18 34.576 45.361 18.621 1.00 0.00 O ATOM 291 CB GLU A 18 32.468 46.753 16.669 1.00 0.00 C ATOM 292 CG GLU A 18 32.105 47.852 15.675 1.00 0.00 C ATOM 293 CD GLU A 18 31.252 48.986 16.246 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.365 48.736 17.091 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.409 50.139 15.792 1.00 0.00 O ATOM 0 H GLU A 18 35.015 47.315 16.814 1.00 0.00 H new ATOM 0 HA GLU A 18 32.656 47.930 18.450 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.051 45.994 16.147 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.548 46.274 17.004 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.025 48.277 15.274 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.571 47.402 14.838 1.00 0.00 H new ATOM 302 N PRO A 19 32.640 45.574 19.677 1.00 0.00 N ATOM 303 CA PRO A 19 32.810 44.369 20.463 1.00 0.00 C ATOM 304 C PRO A 19 32.982 43.078 19.661 1.00 0.00 C ATOM 305 O PRO A 19 33.440 42.070 20.196 1.00 0.00 O ATOM 306 CB PRO A 19 31.584 44.290 21.368 1.00 0.00 C ATOM 307 CG PRO A 19 31.117 45.738 21.489 1.00 0.00 C ATOM 308 CD PRO A 19 31.461 46.297 20.112 1.00 0.00 C ATOM 0 HA PRO A 19 33.748 44.443 21.013 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.810 43.656 20.936 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.834 43.869 22.342 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.050 45.806 21.702 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.636 46.269 22.287 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.635 46.155 19.415 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.655 47.368 20.162 1.00 0.00 H new ATOM 316 N SER A 20 32.617 43.091 18.382 1.00 0.00 N ATOM 317 CA SER A 20 32.779 42.030 17.409 1.00 0.00 C ATOM 318 C SER A 20 34.102 42.066 16.641 1.00 0.00 C ATOM 319 O SER A 20 34.349 41.193 15.812 1.00 0.00 O ATOM 320 CB SER A 20 31.585 42.045 16.457 1.00 0.00 C ATOM 321 OG SER A 20 31.283 43.353 16.026 1.00 0.00 O ATOM 0 H SER A 20 32.166 43.910 17.974 1.00 0.00 H new ATOM 0 HA SER A 20 32.815 41.093 17.964 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.800 41.417 15.593 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.716 41.615 16.955 1.00 0.00 H new ATOM 0 HG SER A 20 30.516 43.328 15.417 1.00 0.00 H new ATOM 327 N ASP A 21 34.980 43.032 16.897 1.00 0.00 N ATOM 328 CA ASP A 21 36.311 43.057 16.326 1.00 0.00 C ATOM 329 C ASP A 21 37.246 42.081 17.045 1.00 0.00 C ATOM 330 O ASP A 21 37.135 41.839 18.244 1.00 0.00 O ATOM 331 CB ASP A 21 36.883 44.471 16.299 1.00 0.00 C ATOM 332 CG ASP A 21 36.151 45.421 15.347 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.590 44.979 14.321 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.189 46.646 15.592 1.00 0.00 O ATOM 0 H ASP A 21 34.781 43.822 17.511 1.00 0.00 H new ATOM 0 HA ASP A 21 36.229 42.724 15.291 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.848 44.885 17.307 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.933 44.422 16.010 1.00 0.00 H new ATOM 339 N THR A 22 38.178 41.502 16.294 1.00 0.00 N ATOM 340 CA THR A 22 39.119 40.499 16.750 1.00 0.00 C ATOM 341 C THR A 22 40.369 41.101 17.395 1.00 0.00 C ATOM 342 O THR A 22 40.799 42.194 17.033 1.00 0.00 O ATOM 343 CB THR A 22 39.489 39.515 15.645 1.00 0.00 C ATOM 344 OG1 THR A 22 39.754 40.166 14.422 1.00 0.00 O ATOM 345 CG2 THR A 22 38.358 38.521 15.398 1.00 0.00 C ATOM 0 H THR A 22 38.299 41.733 15.308 1.00 0.00 H new ATOM 0 HA THR A 22 38.601 39.942 17.531 1.00 0.00 H new ATOM 0 HB THR A 22 40.387 39.001 15.988 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.989 39.501 13.742 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.647 37.831 14.606 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.159 37.962 16.312 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.459 39.060 15.100 1.00 0.00 H new ATOM 353 N ILE A 23 41.011 40.383 18.311 1.00 0.00 N ATOM 354 CA ILE A 23 42.194 40.860 19.001 1.00 0.00 C ATOM 355 C ILE A 23 43.348 41.116 18.031 1.00 0.00 C ATOM 356 O ILE A 23 44.083 42.088 18.196 1.00 0.00 O ATOM 357 CB ILE A 23 42.579 39.892 20.117 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.480 39.680 21.155 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.879 40.281 20.816 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.913 40.936 21.811 1.00 0.00 C ATOM 0 H ILE A 23 40.719 39.448 18.594 1.00 0.00 H new ATOM 0 HA ILE A 23 41.963 41.822 19.459 1.00 0.00 H new ATOM 0 HB ILE A 23 42.731 38.943 19.602 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.659 39.144 20.679 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.872 39.032 21.939 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.102 39.557 21.600 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.693 40.293 20.091 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.772 41.272 21.258 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.141 40.655 22.528 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.711 41.469 22.327 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.480 41.582 21.047 1.00 0.00 H new ATOM 372 N GLU A 24 43.475 40.336 16.962 1.00 0.00 N ATOM 373 CA GLU A 24 44.432 40.584 15.902 1.00 0.00 C ATOM 374 C GLU A 24 44.174 41.879 15.130 1.00 0.00 C ATOM 375 O GLU A 24 45.116 42.522 14.673 1.00 0.00 O ATOM 376 CB GLU A 24 44.399 39.371 14.976 1.00 0.00 C ATOM 377 CG GLU A 24 45.531 39.314 13.954 1.00 0.00 C ATOM 378 CD GLU A 24 45.484 38.023 13.135 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.410 37.389 13.038 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.541 37.635 12.592 1.00 0.00 O ATOM 0 H GLU A 24 42.906 39.503 16.811 1.00 0.00 H new ATOM 0 HA GLU A 24 45.419 40.722 16.343 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.431 38.467 15.584 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.448 39.364 14.444 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.463 40.172 13.286 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.490 39.385 14.467 1.00 0.00 H new ATOM 387 N ASN A 25 42.921 42.312 15.020 1.00 0.00 N ATOM 388 CA ASN A 25 42.565 43.614 14.494 1.00 0.00 C ATOM 389 C ASN A 25 42.925 44.721 15.487 1.00 0.00 C ATOM 390 O ASN A 25 43.559 45.699 15.095 1.00 0.00 O ATOM 391 CB ASN A 25 41.096 43.589 14.084 1.00 0.00 C ATOM 392 CG ASN A 25 40.570 44.885 13.461 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.263 45.884 13.282 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.282 44.897 13.129 1.00 0.00 N ATOM 0 H ASN A 25 42.115 41.753 15.301 1.00 0.00 H new ATOM 0 HA ASN A 25 43.145 43.844 13.600 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.948 42.777 13.372 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.494 43.357 14.963 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.867 45.737 12.725 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.709 44.067 13.279 1.00 0.00 H new ATOM 401 N VAL A 26 42.671 44.549 16.782 1.00 0.00 N ATOM 402 CA VAL A 26 43.104 45.480 17.804 1.00 0.00 C ATOM 403 C VAL A 26 44.621 45.673 17.789 1.00 0.00 C ATOM 404 O VAL A 26 45.085 46.811 17.778 1.00 0.00 O ATOM 405 CB VAL A 26 42.615 45.063 19.188 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.007 46.066 20.270 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.093 44.948 19.230 1.00 0.00 C ATOM 0 H VAL A 26 42.154 43.750 17.148 1.00 0.00 H new ATOM 0 HA VAL A 26 42.650 46.443 17.570 1.00 0.00 H new ATOM 0 HB VAL A 26 43.088 44.100 19.380 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.636 45.723 21.236 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.093 46.153 20.309 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.573 47.039 20.039 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.778 44.649 20.230 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.648 45.912 18.982 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.765 44.201 18.508 1.00 0.00 H new ATOM 417 N LYS A 27 45.410 44.609 17.671 1.00 0.00 N ATOM 418 CA LYS A 27 46.849 44.694 17.524 1.00 0.00 C ATOM 419 C LYS A 27 47.269 45.435 16.253 1.00 0.00 C ATOM 420 O LYS A 27 48.221 46.212 16.278 1.00 0.00 O ATOM 421 CB LYS A 27 47.471 43.302 17.580 1.00 0.00 C ATOM 422 CG LYS A 27 47.374 42.649 18.956 1.00 0.00 C ATOM 423 CD LYS A 27 47.977 41.247 18.957 1.00 0.00 C ATOM 424 CE LYS A 27 47.931 40.672 20.369 1.00 0.00 C ATOM 425 NZ LYS A 27 48.512 39.320 20.417 1.00 0.00 N ATOM 0 H LYS A 27 45.057 43.652 17.676 1.00 0.00 H new ATOM 0 HA LYS A 27 47.225 45.282 18.361 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.979 42.663 16.847 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.520 43.369 17.291 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.890 43.268 19.690 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.329 42.596 19.261 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.425 40.602 18.273 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.007 41.283 18.601 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.475 41.328 21.049 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.898 40.639 20.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.073 38.781 21.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.337 38.835 19.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.537 39.388 20.581 1.00 0.00 H new ATOM 439 N ALA A 28 46.554 45.251 15.146 1.00 0.00 N ATOM 440 CA ALA A 28 46.816 45.952 13.905 1.00 0.00 C ATOM 441 C ALA A 28 46.417 47.429 13.926 1.00 0.00 C ATOM 442 O ALA A 28 47.111 48.245 13.324 1.00 0.00 O ATOM 443 CB ALA A 28 46.123 45.187 12.781 1.00 0.00 C ATOM 0 H ALA A 28 45.769 44.602 15.091 1.00 0.00 H new ATOM 0 HA ALA A 28 47.894 45.976 13.744 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.303 45.692 11.832 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.519 44.173 12.733 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.051 45.149 12.974 1.00 0.00 H new ATOM 449 N LYS A 29 45.368 47.801 14.654 1.00 0.00 N ATOM 450 CA LYS A 29 44.991 49.171 14.941 1.00 0.00 C ATOM 451 C LYS A 29 46.054 49.887 15.777 1.00 0.00 C ATOM 452 O LYS A 29 46.316 51.062 15.527 1.00 0.00 O ATOM 453 CB LYS A 29 43.639 49.217 15.648 1.00 0.00 C ATOM 454 CG LYS A 29 42.449 49.039 14.710 1.00 0.00 C ATOM 455 CD LYS A 29 41.150 48.906 15.500 1.00 0.00 C ATOM 456 CE LYS A 29 39.917 48.761 14.613 1.00 0.00 C ATOM 457 NZ LYS A 29 39.378 50.053 14.156 1.00 0.00 N ATOM 0 H LYS A 29 44.734 47.122 15.076 1.00 0.00 H new ATOM 0 HA LYS A 29 44.910 49.695 13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.610 48.437 16.409 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.542 50.171 16.166 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.383 49.891 14.034 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.597 48.153 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.220 48.040 16.158 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.029 49.782 16.138 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.171 48.153 13.745 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.143 48.225 15.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.653 49.889 13.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.953 50.556 14.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.147 50.628 13.756 1.00 0.00 H new ATOM 471 N ILE A 30 46.709 49.184 16.696 1.00 0.00 N ATOM 472 CA ILE A 30 47.872 49.668 17.411 1.00 0.00 C ATOM 473 C ILE A 30 49.040 49.881 16.445 1.00 0.00 C ATOM 474 O ILE A 30 49.656 50.944 16.479 1.00 0.00 O ATOM 475 CB ILE A 30 48.235 48.756 18.581 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.136 48.783 19.640 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.571 49.143 19.209 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.228 47.666 20.676 1.00 0.00 C ATOM 0 H ILE A 30 46.434 48.240 16.966 1.00 0.00 H new ATOM 0 HA ILE A 30 47.630 50.636 17.849 1.00 0.00 H new ATOM 0 HB ILE A 30 48.331 47.745 18.186 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.169 49.743 20.155 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.168 48.721 19.143 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.792 48.470 20.037 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.360 49.069 18.461 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.516 50.167 19.578 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.409 47.762 21.389 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.162 46.700 20.176 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.179 47.737 21.204 1.00 0.00 H new ATOM 490 N GLN A 31 49.322 48.947 15.542 1.00 0.00 N ATOM 491 CA GLN A 31 50.361 49.106 14.544 1.00 0.00 C ATOM 492 C GLN A 31 50.138 50.349 13.681 1.00 0.00 C ATOM 493 O GLN A 31 51.084 51.086 13.415 1.00 0.00 O ATOM 494 CB GLN A 31 50.486 47.849 13.689 1.00 0.00 C ATOM 495 CG GLN A 31 51.821 47.773 12.952 1.00 0.00 C ATOM 496 CD GLN A 31 52.009 46.532 12.076 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.095 45.762 11.791 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.233 46.257 11.636 1.00 0.00 N ATOM 0 H GLN A 31 48.830 48.055 15.486 1.00 0.00 H new ATOM 0 HA GLN A 31 51.304 49.252 15.071 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.374 46.970 14.323 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.673 47.824 12.964 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.924 48.659 12.326 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.626 47.806 13.686 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.008 46.882 11.860 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.397 45.421 11.075 1.00 0.00 H new ATOM 507 N ASP A 32 48.899 50.643 13.296 1.00 0.00 N ATOM 508 CA ASP A 32 48.568 51.756 12.430 1.00 0.00 C ATOM 509 C ASP A 32 48.757 53.146 13.040 1.00 0.00 C ATOM 510 O ASP A 32 48.808 54.114 12.284 1.00 0.00 O ATOM 511 CB ASP A 32 47.156 51.567 11.881 1.00 0.00 C ATOM 512 CG ASP A 32 46.898 52.406 10.628 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.655 52.268 9.644 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.921 53.187 10.599 1.00 0.00 O ATOM 0 H ASP A 32 48.086 50.100 13.586 1.00 0.00 H new ATOM 0 HA ASP A 32 49.297 51.735 11.620 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.998 50.514 11.648 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.432 51.836 12.650 1.00 0.00 H new ATOM 519 N LYS A 33 48.885 53.285 14.357 1.00 0.00 N ATOM 520 CA LYS A 33 49.213 54.534 15.013 1.00 0.00 C ATOM 521 C LYS A 33 50.516 54.545 15.816 1.00 0.00 C ATOM 522 O LYS A 33 51.227 55.547 15.773 1.00 0.00 O ATOM 523 CB LYS A 33 48.025 55.109 15.780 1.00 0.00 C ATOM 524 CG LYS A 33 47.395 54.219 16.847 1.00 0.00 C ATOM 525 CD LYS A 33 46.448 54.976 17.774 1.00 0.00 C ATOM 526 CE LYS A 33 45.255 55.608 17.061 1.00 0.00 C ATOM 527 NZ LYS A 33 44.445 56.435 17.968 1.00 0.00 N ATOM 0 H LYS A 33 48.759 52.510 15.008 1.00 0.00 H new ATOM 0 HA LYS A 33 49.432 55.218 14.193 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.346 56.035 16.257 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.252 55.373 15.059 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.849 53.410 16.361 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.185 53.759 17.441 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.080 54.292 18.539 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.007 55.758 18.288 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.611 56.221 16.233 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.632 54.823 16.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.627 56.817 17.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.112 55.854 18.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.023 57.220 18.331 1.00 0.00 H new ATOM 541 N GLU A 34 50.901 53.459 16.483 1.00 0.00 N ATOM 542 CA GLU A 34 52.111 53.368 17.275 1.00 0.00 C ATOM 543 C GLU A 34 53.246 52.588 16.610 1.00 0.00 C ATOM 544 O GLU A 34 54.367 52.596 17.114 1.00 0.00 O ATOM 545 CB GLU A 34 51.793 52.764 18.640 1.00 0.00 C ATOM 546 CG GLU A 34 50.908 53.628 19.534 1.00 0.00 C ATOM 547 CD GLU A 34 51.563 54.954 19.927 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.687 54.950 20.475 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.970 56.026 19.682 1.00 0.00 O ATOM 0 H GLU A 34 50.358 52.595 16.483 1.00 0.00 H new ATOM 0 HA GLU A 34 52.476 54.390 17.380 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.304 51.802 18.490 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.730 52.568 19.161 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.970 53.832 19.018 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.660 53.070 20.437 1.00 0.00 H new ATOM 556 N GLY A 35 53.000 51.905 15.495 1.00 0.00 N ATOM 557 CA GLY A 35 54.017 51.193 14.748 1.00 0.00 C ATOM 558 C GLY A 35 54.481 49.865 15.349 1.00 0.00 C ATOM 559 O GLY A 35 55.359 49.224 14.777 1.00 0.00 O ATOM 0 H GLY A 35 52.070 51.833 15.083 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.636 51.002 13.745 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.885 51.844 14.641 1.00 0.00 H new ATOM 563 N ILE A 36 53.924 49.421 16.474 1.00 0.00 N ATOM 564 CA ILE A 36 54.318 48.199 17.147 1.00 0.00 C ATOM 565 C ILE A 36 53.821 46.998 16.339 1.00 0.00 C ATOM 566 O ILE A 36 52.610 46.869 16.172 1.00 0.00 O ATOM 567 CB ILE A 36 53.787 48.143 18.576 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.074 49.401 19.392 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.394 46.935 19.282 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.289 49.488 20.698 1.00 0.00 C ATOM 0 H ILE A 36 53.170 49.917 16.949 1.00 0.00 H new ATOM 0 HA ILE A 36 55.406 48.174 17.211 1.00 0.00 H new ATOM 0 HB ILE A 36 52.702 48.063 18.506 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.140 49.440 19.618 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.845 50.276 18.784 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.021 46.886 20.305 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.116 46.025 18.750 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.480 47.030 19.296 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.549 50.410 21.218 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.221 49.483 20.481 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.536 48.634 21.328 1.00 0.00 H new ATOM 582 N PRO A 37 54.670 46.100 15.848 1.00 0.00 N ATOM 583 CA PRO A 37 54.230 44.988 15.030 1.00 0.00 C ATOM 584 C PRO A 37 53.457 43.951 15.848 1.00 0.00 C ATOM 585 O PRO A 37 53.961 43.523 16.884 1.00 0.00 O ATOM 586 CB PRO A 37 55.493 44.416 14.390 1.00 0.00 C ATOM 587 CG PRO A 37 56.580 44.764 15.402 1.00 0.00 C ATOM 588 CD PRO A 37 56.112 46.093 15.988 1.00 0.00 C ATOM 0 HA PRO A 37 53.525 45.309 14.263 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.415 43.340 14.236 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.690 44.864 13.416 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.672 43.997 16.171 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.556 44.857 14.926 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.404 46.183 17.034 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.560 46.934 15.458 1.00 0.00 H new ATOM 596 N PRO A 38 52.281 43.496 15.422 1.00 0.00 N ATOM 597 CA PRO A 38 51.456 42.539 16.130 1.00 0.00 C ATOM 598 C PRO A 38 52.162 41.256 16.571 1.00 0.00 C ATOM 599 O PRO A 38 51.896 40.787 17.675 1.00 0.00 O ATOM 600 CB PRO A 38 50.293 42.216 15.196 1.00 0.00 C ATOM 601 CG PRO A 38 50.086 43.539 14.465 1.00 0.00 C ATOM 602 CD PRO A 38 51.517 44.049 14.323 1.00 0.00 C ATOM 0 HA PRO A 38 51.144 42.991 17.072 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.536 41.406 14.509 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.402 41.911 15.746 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.604 43.400 13.497 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.462 44.227 15.035 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.941 43.742 13.367 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.541 45.138 14.348 1.00 0.00 H new ATOM 610 N ASP A 39 53.096 40.723 15.788 1.00 0.00 N ATOM 611 CA ASP A 39 53.915 39.583 16.151 1.00 0.00 C ATOM 612 C ASP A 39 54.666 39.769 17.470 1.00 0.00 C ATOM 613 O ASP A 39 54.968 38.794 18.156 1.00 0.00 O ATOM 614 CB ASP A 39 54.872 39.321 14.992 1.00 0.00 C ATOM 615 CG ASP A 39 55.852 38.170 15.226 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.069 38.439 15.332 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.444 36.989 15.257 1.00 0.00 O ATOM 0 H ASP A 39 53.306 41.087 14.858 1.00 0.00 H new ATOM 0 HA ASP A 39 53.268 38.723 16.323 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.288 39.108 14.097 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.440 40.230 14.794 1.00 0.00 H new ATOM 622 N GLN A 40 54.934 41.004 17.883 1.00 0.00 N ATOM 623 CA GLN A 40 55.644 41.361 19.095 1.00 0.00 C ATOM 624 C GLN A 40 54.733 41.865 20.216 1.00 0.00 C ATOM 625 O GLN A 40 55.238 42.231 21.274 1.00 0.00 O ATOM 626 CB GLN A 40 56.743 42.364 18.758 1.00 0.00 C ATOM 627 CG GLN A 40 57.758 41.824 17.754 1.00 0.00 C ATOM 628 CD GLN A 40 58.792 42.867 17.323 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.019 43.884 17.975 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.437 42.668 16.177 1.00 0.00 N ATOM 0 H GLN A 40 54.644 41.823 17.348 1.00 0.00 H new ATOM 0 HA GLN A 40 56.092 40.451 19.494 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.289 43.270 18.356 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.262 42.647 19.674 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.274 40.970 18.192 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.230 41.460 16.873 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.255 41.827 15.629 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.113 43.356 15.846 1.00 0.00 H new ATOM 639 N GLN A 41 53.418 41.889 20.018 1.00 0.00 N ATOM 640 CA GLN A 41 52.444 42.372 20.977 1.00 0.00 C ATOM 641 C GLN A 41 51.786 41.237 21.765 1.00 0.00 C ATOM 642 O GLN A 41 51.138 40.369 21.185 1.00 0.00 O ATOM 643 CB GLN A 41 51.344 43.174 20.290 1.00 0.00 C ATOM 644 CG GLN A 41 51.756 44.492 19.640 1.00 0.00 C ATOM 645 CD GLN A 41 50.544 45.214 19.048 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.461 45.244 19.628 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.628 45.795 17.856 1.00 0.00 N ATOM 0 H GLN A 41 52.992 41.559 19.152 1.00 0.00 H new ATOM 0 HA GLN A 41 52.999 43.007 21.668 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.893 42.544 19.524 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.568 43.386 21.026 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.239 45.131 20.379 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.489 44.301 18.856 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.512 45.789 17.347 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.809 46.247 17.450 1.00 0.00 H new ATOM 656 N ARG A 42 51.864 41.298 23.091 1.00 0.00 N ATOM 657 CA ARG A 42 51.146 40.450 24.022 1.00 0.00 C ATOM 658 C ARG A 42 50.214 41.323 24.866 1.00 0.00 C ATOM 659 O ARG A 42 50.679 42.272 25.493 1.00 0.00 O ATOM 660 CB ARG A 42 52.191 39.683 24.828 1.00 0.00 C ATOM 661 CG ARG A 42 51.665 38.832 25.980 1.00 0.00 C ATOM 662 CD ARG A 42 52.862 38.180 26.667 1.00 0.00 C ATOM 663 NE ARG A 42 52.530 37.623 27.978 1.00 0.00 N ATOM 664 CZ ARG A 42 53.348 37.581 29.039 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.644 37.912 28.968 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.906 37.213 30.250 1.00 0.00 N ATOM 0 H ARG A 42 52.461 41.976 23.564 1.00 0.00 H new ATOM 0 HA ARG A 42 50.505 39.717 23.531 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.740 39.034 24.146 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.906 40.400 25.231 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.109 39.448 26.686 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.977 38.072 25.610 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.254 37.387 26.029 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.656 38.918 26.782 1.00 0.00 H new ATOM 0 HE ARG A 42 51.595 37.233 28.095 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.046 38.211 28.080 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.229 37.865 29.802 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.927 36.957 30.380 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.549 37.189 31.042 1.00 0.00 H new ATOM 680 N LEU A 43 48.913 41.049 24.841 1.00 0.00 N ATOM 681 CA LEU A 43 47.900 41.884 25.453 1.00 0.00 C ATOM 682 C LEU A 43 47.184 41.189 26.613 1.00 0.00 C ATOM 683 O LEU A 43 46.820 40.020 26.501 1.00 0.00 O ATOM 684 CB LEU A 43 46.892 42.368 24.415 1.00 0.00 C ATOM 685 CG LEU A 43 47.439 43.208 23.263 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.293 43.610 22.339 1.00 0.00 C ATOM 687 CD2 LEU A 43 48.134 44.484 23.725 1.00 0.00 C ATOM 0 H LEU A 43 48.532 40.221 24.383 1.00 0.00 H new ATOM 0 HA LEU A 43 48.419 42.747 25.870 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.394 41.495 23.992 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.129 42.953 24.929 1.00 0.00 H new ATOM 0 HG LEU A 43 48.176 42.587 22.753 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.682 44.210 21.516 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.815 42.715 21.941 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.562 44.193 22.899 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.499 45.034 22.858 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.427 45.104 24.277 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.973 44.228 24.372 1.00 0.00 H new ATOM 699 N ILE A 44 46.962 41.924 27.698 1.00 0.00 N ATOM 700 CA ILE A 44 46.375 41.450 28.934 1.00 0.00 C ATOM 701 C ILE A 44 45.269 42.398 29.404 1.00 0.00 C ATOM 702 O ILE A 44 45.401 43.617 29.319 1.00 0.00 O ATOM 703 CB ILE A 44 47.449 41.221 29.995 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.550 40.291 29.493 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.843 40.661 31.280 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.687 39.995 30.466 1.00 0.00 C ATOM 0 H ILE A 44 47.201 42.915 27.735 1.00 0.00 H new ATOM 0 HA ILE A 44 45.906 40.483 28.754 1.00 0.00 H new ATOM 0 HB ILE A 44 47.894 42.192 30.209 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.092 39.345 29.205 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.978 40.726 28.590 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.631 40.508 32.017 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.110 41.365 31.673 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.355 39.710 31.068 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.405 39.324 29.994 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.185 40.926 30.738 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.285 39.523 31.363 1.00 0.00 H new ATOM 718 N PHE A 45 44.173 41.845 29.916 1.00 0.00 N ATOM 719 CA PHE A 45 43.034 42.548 30.469 1.00 0.00 C ATOM 720 C PHE A 45 42.518 41.835 31.720 1.00 0.00 C ATOM 721 O PHE A 45 42.211 40.645 31.666 1.00 0.00 O ATOM 722 CB PHE A 45 41.945 42.607 29.400 1.00 0.00 C ATOM 723 CG PHE A 45 40.601 43.102 29.876 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.433 44.441 30.248 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.515 42.221 29.950 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.185 44.897 30.691 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.263 42.678 30.379 1.00 0.00 C ATOM 728 CZ PHE A 45 38.097 44.018 30.747 1.00 0.00 C ATOM 0 H PHE A 45 44.056 40.833 29.955 1.00 0.00 H new ATOM 0 HA PHE A 45 43.326 43.557 30.761 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.287 43.254 28.592 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.818 41.610 28.978 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.268 45.124 30.193 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.644 41.185 29.675 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.062 45.928 30.990 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.426 41.997 30.426 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.131 44.373 31.074 1.00 0.00 H new ATOM 738 N ALA A 46 42.420 42.530 32.850 1.00 0.00 N ATOM 739 CA ALA A 46 41.990 41.969 34.115 1.00 0.00 C ATOM 740 C ALA A 46 42.698 40.664 34.485 1.00 0.00 C ATOM 741 O ALA A 46 42.072 39.683 34.880 1.00 0.00 O ATOM 742 CB ALA A 46 40.465 41.905 34.133 1.00 0.00 C ATOM 0 H ALA A 46 42.644 43.523 32.906 1.00 0.00 H new ATOM 0 HA ALA A 46 42.302 42.631 34.923 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.130 41.484 35.081 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.057 42.909 34.017 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.118 41.276 33.314 1.00 0.00 H new ATOM 748 N GLY A 47 44.011 40.609 34.279 1.00 0.00 N ATOM 749 CA GLY A 47 44.855 39.447 34.472 1.00 0.00 C ATOM 750 C GLY A 47 44.773 38.359 33.400 1.00 0.00 C ATOM 751 O GLY A 47 45.620 37.468 33.391 1.00 0.00 O ATOM 0 H GLY A 47 44.537 41.421 33.956 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.890 39.784 34.538 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.604 38.999 35.433 1.00 0.00 H new ATOM 755 N LYS A 48 43.813 38.413 32.481 1.00 0.00 N ATOM 756 CA LYS A 48 43.596 37.447 31.423 1.00 0.00 C ATOM 757 C LYS A 48 44.316 37.854 30.136 1.00 0.00 C ATOM 758 O LYS A 48 44.182 38.988 29.680 1.00 0.00 O ATOM 759 CB LYS A 48 42.102 37.300 31.152 1.00 0.00 C ATOM 760 CG LYS A 48 41.364 36.579 32.276 1.00 0.00 C ATOM 761 CD LYS A 48 39.899 37.001 32.356 1.00 0.00 C ATOM 762 CE LYS A 48 39.780 38.357 33.044 1.00 0.00 C ATOM 763 NZ LYS A 48 38.371 38.772 33.133 1.00 0.00 N ATOM 0 H LYS A 48 43.134 39.173 32.458 1.00 0.00 H new ATOM 0 HA LYS A 48 44.006 36.492 31.753 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.664 38.288 31.012 1.00 0.00 H new ATOM 0 HB3 LYS A 48 41.959 36.753 30.220 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.424 35.502 32.118 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.855 36.789 33.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.473 37.054 31.354 1.00 0.00 H new ATOM 0 HD3 LYS A 48 39.327 36.254 32.906 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.212 38.303 34.043 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.350 39.103 32.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.311 39.697 33.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.969 38.844 32.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.836 38.069 33.681 1.00 0.00 H new ATOM 777 N GLN A 49 45.050 36.929 29.526 1.00 0.00 N ATOM 778 CA GLN A 49 45.713 37.160 28.258 1.00 0.00 C ATOM 779 C GLN A 49 44.747 37.022 27.079 1.00 0.00 C ATOM 780 O GLN A 49 43.906 36.126 27.070 1.00 0.00 O ATOM 781 CB GLN A 49 46.919 36.231 28.152 1.00 0.00 C ATOM 782 CG GLN A 49 47.784 36.566 26.940 1.00 0.00 C ATOM 783 CD GLN A 49 49.132 35.848 27.048 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.049 36.318 27.715 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.302 34.685 26.425 1.00 0.00 N ATOM 0 H GLN A 49 45.199 35.994 29.904 1.00 0.00 H new ATOM 0 HA GLN A 49 46.071 38.189 28.216 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.518 36.308 29.059 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.578 35.198 28.081 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.274 36.266 26.024 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.940 37.643 26.880 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.544 34.289 25.869 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.190 34.190 26.503 1.00 0.00 H new ATOM 794 N LEU A 50 44.897 37.877 26.072 1.00 0.00 N ATOM 795 CA LEU A 50 43.998 37.964 24.939 1.00 0.00 C ATOM 796 C LEU A 50 44.511 37.170 23.736 1.00 0.00 C ATOM 797 O LEU A 50 45.584 37.462 23.212 1.00 0.00 O ATOM 798 CB LEU A 50 43.755 39.434 24.610 1.00 0.00 C ATOM 799 CG LEU A 50 43.259 40.298 25.766 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.051 41.735 25.294 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.935 39.805 26.342 1.00 0.00 C ATOM 0 H LEU A 50 45.668 38.543 26.025 1.00 0.00 H new ATOM 0 HA LEU A 50 43.045 37.504 25.202 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.684 39.862 24.234 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.028 39.491 23.800 1.00 0.00 H new ATOM 0 HG LEU A 50 44.023 40.240 26.541 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.697 42.344 26.126 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.995 42.137 24.926 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.312 41.751 24.493 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.629 40.456 27.161 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.172 39.818 25.564 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.056 38.787 26.714 1.00 0.00 H new ATOM 813 N GLU A 51 43.739 36.184 23.286 1.00 0.00 N ATOM 814 CA GLU A 51 44.019 35.378 22.115 1.00 0.00 C ATOM 815 C GLU A 51 43.689 36.108 20.812 1.00 0.00 C ATOM 816 O GLU A 51 42.621 36.702 20.676 1.00 0.00 O ATOM 817 CB GLU A 51 43.229 34.074 22.142 1.00 0.00 C ATOM 818 CG GLU A 51 43.719 33.063 23.174 1.00 0.00 C ATOM 819 CD GLU A 51 42.840 31.811 23.221 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.578 31.304 24.332 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.424 31.299 22.159 1.00 0.00 O ATOM 0 H GLU A 51 42.870 35.920 23.749 1.00 0.00 H new ATOM 0 HA GLU A 51 45.089 35.172 22.145 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.182 34.301 22.342 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.272 33.616 21.154 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.744 32.776 22.940 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.735 33.530 24.159 1.00 0.00 H new ATOM 828 N ASP A 52 44.557 35.980 19.813 1.00 0.00 N ATOM 829 CA ASP A 52 44.479 36.665 18.538 1.00 0.00 C ATOM 830 C ASP A 52 43.210 36.347 17.745 1.00 0.00 C ATOM 831 O ASP A 52 42.681 37.216 17.055 1.00 0.00 O ATOM 832 CB ASP A 52 45.710 36.306 17.710 1.00 0.00 C ATOM 833 CG ASP A 52 47.018 36.725 18.382 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.722 35.858 18.945 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.350 37.930 18.345 1.00 0.00 O ATOM 0 H ASP A 52 45.369 35.366 19.879 1.00 0.00 H new ATOM 0 HA ASP A 52 44.443 37.734 18.749 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.724 35.230 17.536 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.638 36.786 16.734 1.00 0.00 H new ATOM 840 N GLY A 53 42.713 35.118 17.846 1.00 0.00 N ATOM 841 CA GLY A 53 41.552 34.606 17.148 1.00 0.00 C ATOM 842 C GLY A 53 40.210 34.798 17.857 1.00 0.00 C ATOM 843 O GLY A 53 39.200 34.282 17.385 1.00 0.00 O ATOM 0 H GLY A 53 43.138 34.418 18.453 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.497 35.087 16.171 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.699 33.541 16.971 1.00 0.00 H new ATOM 847 N ARG A 54 40.190 35.492 18.991 1.00 0.00 N ATOM 848 CA ARG A 54 38.994 35.843 19.730 1.00 0.00 C ATOM 849 C ARG A 54 38.580 37.292 19.466 1.00 0.00 C ATOM 850 O ARG A 54 39.332 38.071 18.885 1.00 0.00 O ATOM 851 CB ARG A 54 39.221 35.555 21.211 1.00 0.00 C ATOM 852 CG ARG A 54 39.260 34.078 21.593 1.00 0.00 C ATOM 853 CD ARG A 54 37.890 33.438 21.802 1.00 0.00 C ATOM 854 NE ARG A 54 37.110 33.288 20.574 1.00 0.00 N ATOM 855 CZ ARG A 54 37.223 32.314 19.662 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.108 31.313 19.761 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.440 32.288 18.573 1.00 0.00 N ATOM 0 H ARG A 54 41.043 35.836 19.433 1.00 0.00 H new ATOM 0 HA ARG A 54 38.159 35.231 19.388 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.161 36.016 21.513 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.430 36.040 21.783 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.788 33.529 20.813 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.841 33.969 22.509 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.024 32.457 22.257 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.322 34.042 22.509 1.00 0.00 H new ATOM 0 HE ARG A 54 36.404 34.002 20.393 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.739 31.267 20.561 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.151 30.597 19.036 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.743 33.019 18.428 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.541 31.538 17.890 1.00 0.00 H new ATOM 871 N THR A 55 37.373 37.648 19.898 1.00 0.00 N ATOM 872 CA THR A 55 36.814 38.982 19.835 1.00 0.00 C ATOM 873 C THR A 55 36.847 39.686 21.194 1.00 0.00 C ATOM 874 O THR A 55 36.929 39.034 22.232 1.00 0.00 O ATOM 875 CB THR A 55 35.389 38.991 19.289 1.00 0.00 C ATOM 876 OG1 THR A 55 34.535 38.241 20.124 1.00 0.00 O ATOM 877 CG2 THR A 55 35.276 38.440 17.870 1.00 0.00 C ATOM 0 H THR A 55 36.733 36.976 20.321 1.00 0.00 H new ATOM 0 HA THR A 55 37.450 39.533 19.142 1.00 0.00 H new ATOM 0 HB THR A 55 35.092 40.040 19.265 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.821 38.819 20.466 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.236 38.477 17.547 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.887 39.041 17.196 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.625 37.408 17.852 1.00 0.00 H new ATOM 885 N LEU A 56 36.740 41.011 21.192 1.00 0.00 N ATOM 886 CA LEU A 56 36.644 41.799 22.405 1.00 0.00 C ATOM 887 C LEU A 56 35.502 41.341 23.315 1.00 0.00 C ATOM 888 O LEU A 56 35.685 41.231 24.525 1.00 0.00 O ATOM 889 CB LEU A 56 36.481 43.266 22.017 1.00 0.00 C ATOM 890 CG LEU A 56 37.738 43.926 21.456 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.393 45.317 20.931 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.815 44.100 22.522 1.00 0.00 C ATOM 0 H LEU A 56 36.718 41.568 20.338 1.00 0.00 H new ATOM 0 HA LEU A 56 37.559 41.661 22.982 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.685 43.344 21.276 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.156 43.825 22.894 1.00 0.00 H new ATOM 0 HG LEU A 56 38.114 43.277 20.665 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.291 45.788 20.531 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.645 45.233 20.143 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.997 45.925 21.744 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.692 44.573 22.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.432 44.727 23.327 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.092 43.125 22.922 1.00 0.00 H new ATOM 904 N SER A 57 34.354 40.999 22.738 1.00 0.00 N ATOM 905 CA SER A 57 33.206 40.472 23.446 1.00 0.00 C ATOM 906 C SER A 57 33.391 39.070 24.030 1.00 0.00 C ATOM 907 O SER A 57 32.755 38.771 25.037 1.00 0.00 O ATOM 908 CB SER A 57 31.955 40.518 22.573 1.00 0.00 C ATOM 909 OG SER A 57 32.167 39.870 21.338 1.00 0.00 O ATOM 0 H SER A 57 34.198 41.086 21.734 1.00 0.00 H new ATOM 0 HA SER A 57 33.087 41.132 24.305 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.126 40.043 23.097 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.669 41.555 22.397 1.00 0.00 H new ATOM 0 HG SER A 57 32.600 40.489 20.714 1.00 0.00 H new ATOM 915 N ASP A 58 34.296 38.240 23.519 1.00 0.00 N ATOM 916 CA ASP A 58 34.634 36.984 24.158 1.00 0.00 C ATOM 917 C ASP A 58 35.336 37.178 25.503 1.00 0.00 C ATOM 918 O ASP A 58 35.235 36.330 26.386 1.00 0.00 O ATOM 919 CB ASP A 58 35.508 36.117 23.256 1.00 0.00 C ATOM 920 CG ASP A 58 34.841 35.724 21.936 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.648 35.349 21.943 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.510 35.773 20.881 1.00 0.00 O ATOM 0 H ASP A 58 34.809 38.422 22.657 1.00 0.00 H new ATOM 0 HA ASP A 58 33.685 36.479 24.339 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.432 36.653 23.039 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.784 35.211 23.796 1.00 0.00 H new ATOM 927 N TYR A 59 35.993 38.319 25.690 1.00 0.00 N ATOM 928 CA TYR A 59 36.609 38.745 26.931 1.00 0.00 C ATOM 929 C TYR A 59 35.816 39.828 27.666 1.00 0.00 C ATOM 930 O TYR A 59 36.332 40.411 28.615 1.00 0.00 O ATOM 931 CB TYR A 59 38.053 39.159 26.659 1.00 0.00 C ATOM 932 CG TYR A 59 38.934 38.033 26.174 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.367 37.054 27.076 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.340 37.989 24.835 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.224 36.032 26.650 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.219 36.988 24.405 1.00 0.00 C ATOM 937 CZ TYR A 59 40.659 36.003 25.310 1.00 0.00 C ATOM 938 OH TYR A 59 41.513 35.029 24.883 1.00 0.00 O ATOM 0 H TYR A 59 36.113 39.001 24.941 1.00 0.00 H new ATOM 0 HA TYR A 59 36.606 37.898 27.616 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.058 39.956 25.916 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.480 39.573 27.573 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.039 37.087 28.104 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.976 38.726 24.135 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.549 35.271 27.344 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.559 36.971 23.380 1.00 0.00 H new ATOM 0 HH TYR A 59 41.038 34.418 24.282 1.00 0.00 H new ATOM 948 N ASN A 60 34.572 40.095 27.279 1.00 0.00 N ATOM 949 CA ASN A 60 33.716 41.093 27.888 1.00 0.00 C ATOM 950 C ASN A 60 34.332 42.492 27.951 1.00 0.00 C ATOM 951 O ASN A 60 34.057 43.251 28.878 1.00 0.00 O ATOM 952 CB ASN A 60 33.207 40.573 29.229 1.00 0.00 C ATOM 953 CG ASN A 60 31.846 41.163 29.604 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.717 42.112 30.373 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.776 40.589 29.061 1.00 0.00 N ATOM 0 H ASN A 60 34.123 39.603 26.507 1.00 0.00 H new ATOM 0 HA ASN A 60 32.855 41.243 27.236 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.131 39.486 29.189 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.931 40.813 30.007 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.843 40.937 29.283 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.888 39.801 28.423 1.00 0.00 H new ATOM 962 N ILE A 61 35.190 42.856 27.001 1.00 0.00 N ATOM 963 CA ILE A 61 35.822 44.158 26.957 1.00 0.00 C ATOM 964 C ILE A 61 34.786 45.170 26.460 1.00 0.00 C ATOM 965 O ILE A 61 34.536 45.298 25.264 1.00 0.00 O ATOM 966 CB ILE A 61 37.107 44.129 26.136 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.150 43.220 26.780 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.675 45.540 26.012 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.274 42.781 25.846 1.00 0.00 C ATOM 0 H ILE A 61 35.465 42.242 26.234 1.00 0.00 H new ATOM 0 HA ILE A 61 36.145 44.465 27.952 1.00 0.00 H new ATOM 0 HB ILE A 61 36.867 43.738 25.147 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.587 43.738 27.634 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.650 42.332 27.167 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.593 45.512 25.425 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.947 46.183 25.518 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.892 45.934 27.005 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.968 42.139 26.388 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.853 42.232 25.004 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.805 43.659 25.478 1.00 0.00 H new ATOM 981 N GLN A 62 34.158 45.863 27.405 1.00 0.00 N ATOM 982 CA GLN A 62 33.215 46.938 27.169 1.00 0.00 C ATOM 983 C GLN A 62 33.937 48.284 27.082 1.00 0.00 C ATOM 984 O GLN A 62 35.091 48.417 27.483 1.00 0.00 O ATOM 985 CB GLN A 62 32.146 46.924 28.259 1.00 0.00 C ATOM 986 CG GLN A 62 31.291 45.661 28.222 1.00 0.00 C ATOM 987 CD GLN A 62 30.251 45.614 29.343 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.541 46.576 29.625 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.112 44.488 30.038 1.00 0.00 N ATOM 0 H GLN A 62 34.303 45.678 28.398 1.00 0.00 H new ATOM 0 HA GLN A 62 32.721 46.787 26.209 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.625 47.006 29.235 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.504 47.797 28.145 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.783 45.600 27.259 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.939 44.787 28.297 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.692 43.678 29.819 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.425 44.434 30.790 1.00 0.00 H new ATOM 998 N LYS A 63 33.248 49.300 26.573 1.00 0.00 N ATOM 999 CA LYS A 63 33.728 50.659 26.414 1.00 0.00 C ATOM 1000 C LYS A 63 34.419 51.249 27.646 1.00 0.00 C ATOM 1001 O LYS A 63 34.045 50.983 28.786 1.00 0.00 O ATOM 1002 CB LYS A 63 32.580 51.534 25.920 1.00 0.00 C ATOM 1003 CG LYS A 63 31.384 51.643 26.861 1.00 0.00 C ATOM 1004 CD LYS A 63 30.201 52.270 26.127 1.00 0.00 C ATOM 1005 CE LYS A 63 28.926 52.176 26.959 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.756 52.635 26.195 1.00 0.00 N ATOM 0 H LYS A 63 32.289 49.186 26.244 1.00 0.00 H new ATOM 0 HA LYS A 63 34.524 50.632 25.670 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.965 52.536 25.733 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.233 51.142 24.964 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.111 50.655 27.232 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.647 52.248 27.729 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.419 53.315 25.906 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.053 51.766 25.172 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.773 51.145 27.279 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.033 52.778 27.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.904 52.560 26.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.894 53.626 25.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.642 52.044 25.347 1.00 0.00 H new ATOM 1020 N GLU A 64 35.438 52.062 27.385 1.00 0.00 N ATOM 1021 CA GLU A 64 36.252 52.804 28.327 1.00 0.00 C ATOM 1022 C GLU A 64 37.136 51.981 29.264 1.00 0.00 C ATOM 1023 O GLU A 64 37.823 52.531 30.121 1.00 0.00 O ATOM 1024 CB GLU A 64 35.438 53.901 29.009 1.00 0.00 C ATOM 1025 CG GLU A 64 34.650 54.744 28.012 1.00 0.00 C ATOM 1026 CD GLU A 64 33.984 55.982 28.617 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.827 56.284 28.249 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.617 56.699 29.422 1.00 0.00 O ATOM 0 H GLU A 64 35.737 52.229 26.424 1.00 0.00 H new ATOM 0 HA GLU A 64 37.015 53.294 27.722 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.749 53.449 29.723 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.107 54.546 29.578 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.320 55.061 27.213 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.882 54.120 27.555 1.00 0.00 H new ATOM 1035 N SER A 65 37.204 50.670 29.043 1.00 0.00 N ATOM 1036 CA SER A 65 38.177 49.762 29.617 1.00 0.00 C ATOM 1037 C SER A 65 39.617 50.110 29.235 1.00 0.00 C ATOM 1038 O SER A 65 39.854 50.728 28.200 1.00 0.00 O ATOM 1039 CB SER A 65 37.915 48.336 29.144 1.00 0.00 C ATOM 1040 OG SER A 65 36.644 47.874 29.542 1.00 0.00 O ATOM 0 H SER A 65 36.545 50.195 28.426 1.00 0.00 H new ATOM 0 HA SER A 65 38.066 49.854 30.697 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.992 48.294 28.058 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.683 47.674 29.544 1.00 0.00 H new ATOM 0 HG SER A 65 35.993 48.055 28.832 1.00 0.00 H new ATOM 1046 N THR A 66 40.587 49.646 30.016 1.00 0.00 N ATOM 1047 CA THR A 66 42.004 49.754 29.732 1.00 0.00 C ATOM 1048 C THR A 66 42.631 48.369 29.558 1.00 0.00 C ATOM 1049 O THR A 66 42.536 47.519 30.439 1.00 0.00 O ATOM 1050 CB THR A 66 42.732 50.535 30.823 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.180 51.824 30.973 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.210 50.757 30.515 1.00 0.00 C ATOM 0 H THR A 66 40.395 49.167 30.896 1.00 0.00 H new ATOM 0 HA THR A 66 42.111 50.303 28.797 1.00 0.00 H new ATOM 0 HB THR A 66 42.621 49.928 31.721 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.661 52.306 31.678 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.671 51.318 31.328 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.709 49.793 30.410 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.308 51.319 29.586 1.00 0.00 H new ATOM 1060 N LEU A 67 43.302 48.160 28.428 1.00 0.00 N ATOM 1061 CA LEU A 67 44.126 47.002 28.146 1.00 0.00 C ATOM 1062 C LEU A 67 45.595 47.298 28.457 1.00 0.00 C ATOM 1063 O LEU A 67 46.039 48.439 28.345 1.00 0.00 O ATOM 1064 CB LEU A 67 43.969 46.561 26.694 1.00 0.00 C ATOM 1065 CG LEU A 67 42.555 46.498 26.125 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.598 45.964 24.696 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.630 45.590 26.931 1.00 0.00 C ATOM 0 H LEU A 67 43.281 48.825 27.655 1.00 0.00 H new ATOM 0 HA LEU A 67 43.792 46.187 28.788 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.552 47.240 26.072 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.416 45.572 26.593 1.00 0.00 H new ATOM 0 HG LEU A 67 42.162 47.514 26.165 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.586 45.921 24.293 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.206 46.625 24.079 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.033 44.964 24.694 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.639 45.586 26.478 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.030 44.576 26.937 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.559 45.959 27.954 1.00 0.00 H new ATOM 1079 N HIS A 68 46.372 46.271 28.789 1.00 0.00 N ATOM 1080 CA HIS A 68 47.784 46.378 29.100 1.00 0.00 C ATOM 1081 C HIS A 68 48.636 45.644 28.063 1.00 0.00 C ATOM 1082 O HIS A 68 48.270 44.553 27.630 1.00 0.00 O ATOM 1083 CB HIS A 68 48.015 45.841 30.509 1.00 0.00 C ATOM 1084 CG HIS A 68 47.291 46.627 31.568 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.771 47.775 32.196 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.070 46.307 32.105 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.834 48.144 33.072 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.807 47.279 33.051 1.00 0.00 N ATOM 0 H HIS A 68 46.021 45.315 28.849 1.00 0.00 H new ATOM 0 HA HIS A 68 48.091 47.423 29.064 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.691 44.801 30.552 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.083 45.851 30.724 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.443 45.468 31.842 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.893 49.015 33.708 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.973 47.331 33.635 1.00 0.00 H new ATOM 1096 N LEU A 69 49.761 46.233 27.665 1.00 0.00 N ATOM 1097 CA LEU A 69 50.641 45.722 26.633 1.00 0.00 C ATOM 1098 C LEU A 69 52.012 45.349 27.201 1.00 0.00 C ATOM 1099 O LEU A 69 52.642 46.144 27.894 1.00 0.00 O ATOM 1100 CB LEU A 69 50.693 46.743 25.501 1.00 0.00 C ATOM 1101 CG LEU A 69 51.356 46.286 24.205 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.838 47.128 23.043 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.873 46.452 24.198 1.00 0.00 C ATOM 0 H LEU A 69 50.091 47.109 28.070 1.00 0.00 H new ATOM 0 HA LEU A 69 50.254 44.789 26.224 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.673 47.052 25.272 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.220 47.626 25.862 1.00 0.00 H new ATOM 0 HG LEU A 69 51.113 45.227 24.113 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.312 46.801 22.117 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.758 47.008 22.960 1.00 0.00 H new ATOM 0 HD13 LEU A 69 51.074 48.177 23.221 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.272 46.106 23.245 1.00 0.00 H new ATOM 0 HD22 LEU A 69 53.125 47.503 24.337 1.00 0.00 H new ATOM 0 HD23 LEU A 69 53.307 45.865 25.008 1.00 0.00 H new ATOM 1115 N VAL A 70 52.479 44.149 26.869 1.00 0.00 N ATOM 1116 CA VAL A 70 53.825 43.661 27.091 1.00 0.00 C ATOM 1117 C VAL A 70 54.424 43.076 25.811 1.00 0.00 C ATOM 1118 O VAL A 70 53.726 42.817 24.832 1.00 0.00 O ATOM 1119 CB VAL A 70 53.911 42.674 28.251 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.018 43.430 29.572 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.747 41.691 28.333 1.00 0.00 C ATOM 0 H VAL A 70 51.888 43.455 26.411 1.00 0.00 H new ATOM 0 HA VAL A 70 54.425 44.525 27.377 1.00 0.00 H new ATOM 0 HB VAL A 70 54.805 42.080 28.061 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.079 42.718 30.395 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.913 44.052 29.564 1.00 0.00 H new ATOM 0 HG13 VAL A 70 53.139 44.061 29.702 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.890 41.028 29.186 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.814 42.241 28.454 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.704 41.101 27.418 1.00 0.00 H new ATOM 1131 N LEU A 71 55.744 42.914 25.800 1.00 0.00 N ATOM 1132 CA LEU A 71 56.534 42.659 24.612 1.00 0.00 C ATOM 1133 C LEU A 71 56.903 41.182 24.456 1.00 0.00 C ATOM 1134 O LEU A 71 56.977 40.431 25.425 1.00 0.00 O ATOM 1135 CB LEU A 71 57.779 43.542 24.624 1.00 0.00 C ATOM 1136 CG LEU A 71 57.539 45.047 24.696 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.499 45.589 26.123 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.667 45.798 23.996 1.00 0.00 C ATOM 0 H LEU A 71 56.307 42.959 26.650 1.00 0.00 H new ATOM 0 HA LEU A 71 55.923 42.911 23.745 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.396 43.253 25.475 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.357 43.330 23.725 1.00 0.00 H new ATOM 0 HG LEU A 71 56.571 45.202 24.220 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.325 46.665 26.099 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.694 45.103 26.674 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.450 45.386 26.616 1.00 0.00 H new ATOM 0 HD21 LEU A 71 58.482 46.871 24.056 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.615 45.566 24.482 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.711 45.495 22.950 1.00 0.00 H new ATOM 1150 N ARG A 72 57.198 40.776 23.224 1.00 0.00 N ATOM 1151 CA ARG A 72 57.957 39.583 22.905 1.00 0.00 C ATOM 1152 C ARG A 72 58.913 39.835 21.737 1.00 0.00 C ATOM 1153 O ARG A 72 58.944 40.936 21.189 1.00 0.00 O ATOM 1154 CB ARG A 72 57.022 38.399 22.671 1.00 0.00 C ATOM 1155 CG ARG A 72 56.269 38.434 21.345 1.00 0.00 C ATOM 1156 CD ARG A 72 55.587 37.105 21.029 1.00 0.00 C ATOM 1157 NE ARG A 72 54.301 36.960 21.711 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.111 37.363 21.249 1.00 0.00 C ATOM 1159 NH1 ARG A 72 52.967 38.039 20.101 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.011 37.085 21.963 1.00 0.00 N ATOM 0 H ARG A 72 56.902 41.291 22.395 1.00 0.00 H new ATOM 0 HA ARG A 72 58.583 39.323 23.758 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.604 37.479 22.718 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.297 38.360 23.484 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.520 39.225 21.376 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.963 38.683 20.542 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.435 37.025 19.953 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.244 36.285 21.320 1.00 0.00 H new ATOM 0 HE ARG A 72 54.312 36.509 22.626 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.786 38.268 19.538 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.038 38.325 19.790 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.089 36.574 22.843 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.096 37.384 21.627 1.00 0.00 H new ATOM 1174 N LEU A 73 59.634 38.799 21.318 1.00 0.00 N ATOM 1175 CA LEU A 73 60.482 38.774 20.145 1.00 0.00 C ATOM 1176 C LEU A 73 60.339 37.456 19.381 1.00 0.00 C ATOM 1177 O LEU A 73 59.907 36.452 19.942 1.00 0.00 O ATOM 1178 CB LEU A 73 61.941 38.937 20.564 1.00 0.00 C ATOM 1179 CG LEU A 73 62.323 40.304 21.124 1.00 0.00 C ATOM 1180 CD1 LEU A 73 63.762 40.222 21.625 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.240 41.404 20.069 1.00 0.00 C ATOM 0 H LEU A 73 59.638 37.910 21.819 1.00 0.00 H new ATOM 0 HA LEU A 73 60.175 39.593 19.495 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.170 38.181 21.315 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.573 38.730 19.700 1.00 0.00 H new ATOM 0 HG LEU A 73 61.625 40.555 21.923 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.061 41.188 22.031 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.833 39.463 22.404 1.00 0.00 H new ATOM 0 HD13 LEU A 73 64.421 39.957 20.798 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.521 42.358 20.515 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.919 41.173 19.248 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.220 41.467 19.689 1.00 0.00 H new ATOM 1193 N ARG A 74 60.773 37.448 18.124 1.00 0.00 N ATOM 1194 CA ARG A 74 60.949 36.268 17.302 1.00 0.00 C ATOM 1195 C ARG A 74 62.427 35.928 17.097 1.00 0.00 C ATOM 1196 O ARG A 74 62.783 34.753 17.149 1.00 0.00 O ATOM 1197 CB ARG A 74 60.185 36.459 15.995 1.00 0.00 C ATOM 1198 CG ARG A 74 59.976 35.147 15.246 1.00 0.00 C ATOM 1199 CD ARG A 74 58.955 35.287 14.121 1.00 0.00 C ATOM 1200 NE ARG A 74 59.464 36.022 12.962 1.00 0.00 N ATOM 1201 CZ ARG A 74 58.801 36.939 12.245 1.00 0.00 C ATOM 1202 NH1 ARG A 74 57.731 37.598 12.708 1.00 0.00 N ATOM 1203 NH2 ARG A 74 59.204 37.199 10.994 1.00 0.00 N ATOM 0 H ARG A 74 61.021 38.307 17.633 1.00 0.00 H new ATOM 0 HA ARG A 74 60.533 35.400 17.814 1.00 0.00 H new ATOM 0 HB2 ARG A 74 59.216 36.912 16.207 1.00 0.00 H new ATOM 0 HB3 ARG A 74 60.730 37.155 15.357 1.00 0.00 H new ATOM 0 HG2 ARG A 74 60.927 34.810 14.833 1.00 0.00 H new ATOM 0 HG3 ARG A 74 59.642 34.380 15.945 1.00 0.00 H new ATOM 0 HD2 ARG A 74 58.639 34.294 13.802 1.00 0.00 H new ATOM 0 HD3 ARG A 74 58.070 35.795 14.504 1.00 0.00 H new ATOM 0 HE ARG A 74 60.420 35.815 12.671 1.00 0.00 H new ATOM 0 HH11 ARG A 74 57.384 37.411 13.649 1.00 0.00 H new ATOM 0 HH12 ARG A 74 57.263 38.287 12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.004 36.702 10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 74 58.711 37.894 10.433 1.00 0.00 H new ATOM 1217 N GLY A 75 63.285 36.928 16.926 1.00 0.00 N ATOM 1218 CA GLY A 75 64.723 36.774 16.820 1.00 0.00 C ATOM 1219 C GLY A 75 65.416 36.597 18.173 1.00 0.00 C ATOM 1220 O GLY A 75 65.175 37.387 19.084 1.00 0.00 O ATOM 0 H GLY A 75 62.983 37.900 16.856 1.00 0.00 H new ATOM 0 HA2 GLY A 75 64.943 35.911 16.192 1.00 0.00 H new ATOM 0 HA3 GLY A 75 65.139 37.648 16.319 1.00 0.00 H new ATOM 1224 N GLY A 76 66.293 35.604 18.281 1.00 0.00 N ATOM 1225 CA GLY A 76 67.063 35.263 19.460 1.00 0.00 C ATOM 1226 C GLY A 76 68.145 36.271 19.855 1.00 0.00 C ATOM 1227 O GLY A 76 68.140 36.710 21.025 1.00 0.00 O ATOM 1228 OXT GLY A 76 69.021 36.575 19.017 1.00 0.00 O ATOM 0 H GLY A 76 66.493 34.982 17.498 1.00 0.00 H new ATOM 0 HA2 GLY A 76 66.377 35.145 20.299 1.00 0.00 H new ATOM 0 HA3 GLY A 76 67.536 34.295 19.296 1.00 0.00 H new TER 1232 GLY A 76