USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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= 0.856 K(o=1.9,f=-1.3) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.05 K(o=1.9,f=-0.16) USER MOD Set 2.1: A 55 THR OG1 : rot 125:sc= 1.11 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.94 USER MOD Set 3.1: A 7 THR OG1 : rot -70:sc= 1.3 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.00904 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.27 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 1.14 K(o=1.1,f=-0.14) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.131 USER MOD Single : A 20 SER OG : rot 180:sc= 0.015 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 1.2 (180deg=0.11) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 2.32 (180deg=2.07) USER MOD Single : A 31 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= 0.0106 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 41 GLN : amide:sc= 1.38 K(o=1.4,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -0.0055 (180deg=-0.126) USER MOD Single : A 49 GLN : amide:sc= 0.277 K(o=0.28,f=-2.1!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.567 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= 1.27 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 33.046 52.143 20.069 1.00 0.00 N ATOM 2 CA MET A 1 33.449 52.519 21.434 1.00 0.00 C ATOM 3 C MET A 1 34.945 52.837 21.498 1.00 0.00 C ATOM 4 O MET A 1 35.742 52.236 20.780 1.00 0.00 O ATOM 5 CB MET A 1 33.077 51.446 22.454 1.00 0.00 C ATOM 6 CG MET A 1 33.761 50.098 22.249 1.00 0.00 C ATOM 7 SD MET A 1 33.255 48.828 23.434 1.00 0.00 S ATOM 8 CE MET A 1 34.309 47.461 22.892 1.00 0.00 C ATOM 0 H1 MET A 1 32.109 51.693 20.095 1.00 0.00 H new ATOM 0 H2 MET A 1 33.005 52.994 19.472 1.00 0.00 H new ATOM 0 H3 MET A 1 33.739 51.476 19.674 1.00 0.00 H new ATOM 0 HA MET A 1 32.896 53.421 21.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.322 51.813 23.451 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.998 51.297 22.425 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.549 49.744 21.240 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.840 50.235 22.318 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.125 46.589 23.520 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.082 47.216 21.854 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.356 47.754 22.975 1.00 0.00 H new ATOM 20 N GLN A 2 35.345 53.721 22.407 1.00 0.00 N ATOM 21 CA GLN A 2 36.733 53.926 22.770 1.00 0.00 C ATOM 22 C GLN A 2 37.174 52.947 23.859 1.00 0.00 C ATOM 23 O GLN A 2 36.410 52.688 24.787 1.00 0.00 O ATOM 24 CB GLN A 2 36.967 55.368 23.211 1.00 0.00 C ATOM 25 CG GLN A 2 36.852 56.342 22.042 1.00 0.00 C ATOM 26 CD GLN A 2 37.158 57.798 22.397 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.095 58.249 23.538 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.510 58.599 21.396 1.00 0.00 N ATOM 0 H GLN A 2 34.699 54.322 22.918 1.00 0.00 H new ATOM 0 HA GLN A 2 37.341 53.734 21.886 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.242 55.635 23.980 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.956 55.455 23.661 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.532 56.023 21.252 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.842 56.285 21.636 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.565 58.233 20.445 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.725 59.579 21.579 1.00 0.00 H new ATOM 37 N ILE A 3 38.404 52.446 23.783 1.00 0.00 N ATOM 38 CA ILE A 3 39.070 51.726 24.849 1.00 0.00 C ATOM 39 C ILE A 3 40.510 52.217 25.018 1.00 0.00 C ATOM 40 O ILE A 3 41.105 52.716 24.065 1.00 0.00 O ATOM 41 CB ILE A 3 38.991 50.211 24.685 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.791 49.684 23.496 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.545 49.725 24.669 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.935 48.165 23.456 1.00 0.00 C ATOM 0 H ILE A 3 38.979 52.537 22.945 1.00 0.00 H new ATOM 0 HA ILE A 3 38.531 51.946 25.770 1.00 0.00 H new ATOM 0 HB ILE A 3 39.472 49.786 25.566 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.311 50.016 22.575 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.785 50.131 23.516 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.527 48.642 24.551 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.060 49.996 25.607 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.014 50.190 23.838 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.516 47.878 22.580 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.444 47.824 24.357 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.947 47.707 23.402 1.00 0.00 H new ATOM 56 N PHE A 4 41.067 52.096 26.219 1.00 0.00 N ATOM 57 CA PHE A 4 42.329 52.710 26.582 1.00 0.00 C ATOM 58 C PHE A 4 43.396 51.688 26.978 1.00 0.00 C ATOM 59 O PHE A 4 43.165 50.836 27.833 1.00 0.00 O ATOM 60 CB PHE A 4 42.093 53.759 27.663 1.00 0.00 C ATOM 61 CG PHE A 4 40.969 54.720 27.354 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.997 55.497 26.189 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.860 54.796 28.204 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.906 56.308 25.853 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.782 55.630 27.885 1.00 0.00 C ATOM 66 CZ PHE A 4 38.793 56.372 26.698 1.00 0.00 C ATOM 0 H PHE A 4 40.643 51.559 26.976 1.00 0.00 H new ATOM 0 HA PHE A 4 42.732 53.207 25.699 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.876 53.253 28.604 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.012 54.327 27.810 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.865 55.471 25.546 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.836 54.209 29.110 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.924 56.885 24.940 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.939 55.701 28.557 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.947 56.990 26.436 1.00 0.00 H new ATOM 76 N VAL A 5 44.568 51.749 26.353 1.00 0.00 N ATOM 77 CA VAL A 5 45.626 50.771 26.505 1.00 0.00 C ATOM 78 C VAL A 5 46.854 51.398 27.166 1.00 0.00 C ATOM 79 O VAL A 5 47.468 52.307 26.611 1.00 0.00 O ATOM 80 CB VAL A 5 45.970 50.105 25.175 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.953 48.957 25.387 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.742 49.535 24.470 1.00 0.00 C ATOM 0 H VAL A 5 44.809 52.503 25.710 1.00 0.00 H new ATOM 0 HA VAL A 5 45.264 49.983 27.165 1.00 0.00 H new ATOM 0 HB VAL A 5 46.407 50.886 24.554 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.186 48.495 24.427 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.869 49.341 25.837 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.508 48.214 26.049 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.044 49.073 23.530 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.271 48.786 25.107 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.033 50.338 24.269 1.00 0.00 H new ATOM 92 N LYS A 6 47.205 50.909 28.352 1.00 0.00 N ATOM 93 CA LYS A 6 48.325 51.360 29.154 1.00 0.00 C ATOM 94 C LYS A 6 49.649 50.760 28.674 1.00 0.00 C ATOM 95 O LYS A 6 49.677 49.621 28.213 1.00 0.00 O ATOM 96 CB LYS A 6 48.070 51.020 30.620 1.00 0.00 C ATOM 97 CG LYS A 6 46.967 51.859 31.260 1.00 0.00 C ATOM 98 CD LYS A 6 46.703 51.408 32.694 1.00 0.00 C ATOM 99 CE LYS A 6 45.736 52.340 33.419 1.00 0.00 C ATOM 100 NZ LYS A 6 45.362 51.812 34.739 1.00 0.00 N ATOM 0 H LYS A 6 46.687 50.151 28.796 1.00 0.00 H new ATOM 0 HA LYS A 6 48.412 52.441 29.045 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.805 49.966 30.699 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.993 51.159 31.182 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.253 52.911 31.252 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.052 51.773 30.673 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.295 50.397 32.687 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.645 51.367 33.240 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.195 53.322 33.536 1.00 0.00 H new ATOM 0 HE3 LYS A 6 44.840 52.477 32.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 44.704 52.471 35.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 44.902 50.886 34.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.215 51.705 35.324 1.00 0.00 H new ATOM 114 N THR A 7 50.748 51.494 28.824 1.00 0.00 N ATOM 115 CA THR A 7 52.092 51.040 28.530 1.00 0.00 C ATOM 116 C THR A 7 53.067 51.311 29.678 1.00 0.00 C ATOM 117 O THR A 7 52.772 52.118 30.556 1.00 0.00 O ATOM 118 CB THR A 7 52.645 51.645 27.243 1.00 0.00 C ATOM 119 OG1 THR A 7 52.914 53.021 27.394 1.00 0.00 O ATOM 120 CG2 THR A 7 51.724 51.473 26.039 1.00 0.00 C ATOM 0 H THR A 7 50.720 52.454 29.166 1.00 0.00 H new ATOM 0 HA THR A 7 52.005 49.962 28.397 1.00 0.00 H new ATOM 0 HB THR A 7 53.564 51.092 27.052 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.070 53.513 27.467 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.184 51.928 25.161 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.561 50.411 25.854 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.768 51.957 26.240 1.00 0.00 H new ATOM 128 N LEU A 8 54.226 50.659 29.689 1.00 0.00 N ATOM 129 CA LEU A 8 55.182 50.718 30.777 1.00 0.00 C ATOM 130 C LEU A 8 55.653 52.132 31.119 1.00 0.00 C ATOM 131 O LEU A 8 55.847 52.434 32.295 1.00 0.00 O ATOM 132 CB LEU A 8 56.352 49.798 30.440 1.00 0.00 C ATOM 133 CG LEU A 8 57.455 49.737 31.491 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.959 49.220 32.839 1.00 0.00 C ATOM 135 CD2 LEU A 8 58.564 48.803 31.015 1.00 0.00 C ATOM 0 H LEU A 8 54.529 50.062 28.920 1.00 0.00 H new ATOM 0 HA LEU A 8 54.679 50.378 31.682 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.967 48.791 30.282 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.789 50.124 29.496 1.00 0.00 H new ATOM 0 HG LEU A 8 57.815 50.757 31.623 1.00 0.00 H new ATOM 0 HD11 LEU A 8 57.787 49.198 33.547 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.176 49.879 33.216 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.559 48.213 32.718 1.00 0.00 H new ATOM 0 HD21 LEU A 8 59.352 48.760 31.767 1.00 0.00 H new ATOM 0 HD22 LEU A 8 58.157 47.804 30.859 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.977 49.176 30.078 1.00 0.00 H new ATOM 147 N THR A 9 55.788 53.026 30.144 1.00 0.00 N ATOM 148 CA THR A 9 56.152 54.414 30.344 1.00 0.00 C ATOM 149 C THR A 9 55.001 55.306 30.814 1.00 0.00 C ATOM 150 O THR A 9 55.147 56.525 30.873 1.00 0.00 O ATOM 151 CB THR A 9 56.806 55.010 29.100 1.00 0.00 C ATOM 152 OG1 THR A 9 56.045 54.720 27.949 1.00 0.00 O ATOM 153 CG2 THR A 9 58.215 54.474 28.875 1.00 0.00 C ATOM 0 H THR A 9 55.641 52.790 29.163 1.00 0.00 H new ATOM 0 HA THR A 9 56.877 54.395 31.158 1.00 0.00 H new ATOM 0 HB THR A 9 56.856 56.086 29.269 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.479 55.112 27.163 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.638 54.928 27.979 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.839 54.719 29.735 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.177 53.392 28.751 1.00 0.00 H new ATOM 161 N GLY A 10 53.835 54.750 31.132 1.00 0.00 N ATOM 162 CA GLY A 10 52.678 55.494 31.585 1.00 0.00 C ATOM 163 C GLY A 10 51.962 56.301 30.500 1.00 0.00 C ATOM 164 O GLY A 10 51.075 57.086 30.829 1.00 0.00 O ATOM 0 H GLY A 10 53.671 53.745 31.078 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.966 54.796 32.027 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.990 56.175 32.377 1.00 0.00 H new ATOM 168 N LYS A 11 52.337 56.124 29.235 1.00 0.00 N ATOM 169 CA LYS A 11 51.734 56.750 28.076 1.00 0.00 C ATOM 170 C LYS A 11 50.609 55.863 27.539 1.00 0.00 C ATOM 171 O LYS A 11 50.865 54.730 27.137 1.00 0.00 O ATOM 172 CB LYS A 11 52.837 57.019 27.056 1.00 0.00 C ATOM 173 CG LYS A 11 52.362 57.856 25.872 1.00 0.00 C ATOM 174 CD LYS A 11 53.488 58.035 24.858 1.00 0.00 C ATOM 175 CE LYS A 11 53.059 58.944 23.709 1.00 0.00 C ATOM 176 NZ LYS A 11 54.051 58.934 22.623 1.00 0.00 N ATOM 0 H LYS A 11 53.110 55.507 28.985 1.00 0.00 H new ATOM 0 HA LYS A 11 51.273 57.705 28.327 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.663 57.532 27.549 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.225 56.069 26.690 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.509 57.372 25.396 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.021 58.831 26.221 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.362 58.458 25.353 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.784 57.063 24.464 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.093 58.617 23.325 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.929 59.962 24.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.733 59.560 21.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.966 59.268 22.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.156 57.966 22.258 1.00 0.00 H new ATOM 190 N THR A 12 49.376 56.363 27.520 1.00 0.00 N ATOM 191 CA THR A 12 48.178 55.588 27.274 1.00 0.00 C ATOM 192 C THR A 12 47.623 55.846 25.872 1.00 0.00 C ATOM 193 O THR A 12 47.472 56.990 25.449 1.00 0.00 O ATOM 194 CB THR A 12 47.136 55.872 28.353 1.00 0.00 C ATOM 195 OG1 THR A 12 47.681 55.587 29.621 1.00 0.00 O ATOM 196 CG2 THR A 12 45.870 55.028 28.237 1.00 0.00 C ATOM 0 H THR A 12 49.185 57.352 27.681 1.00 0.00 H new ATOM 0 HA THR A 12 48.437 54.530 27.321 1.00 0.00 H new ATOM 0 HB THR A 12 46.869 56.921 28.223 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.012 55.771 30.313 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.182 55.291 29.040 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.394 55.217 27.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.129 53.972 28.313 1.00 0.00 H new ATOM 204 N ILE A 13 47.291 54.778 25.153 1.00 0.00 N ATOM 205 CA ILE A 13 46.836 54.780 23.778 1.00 0.00 C ATOM 206 C ILE A 13 45.311 54.670 23.730 1.00 0.00 C ATOM 207 O ILE A 13 44.743 53.848 24.445 1.00 0.00 O ATOM 208 CB ILE A 13 47.508 53.632 23.029 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.031 53.733 23.036 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.032 53.527 21.584 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.703 52.364 23.000 1.00 0.00 C ATOM 0 H ILE A 13 47.337 53.836 25.543 1.00 0.00 H new ATOM 0 HA ILE A 13 47.111 55.717 23.293 1.00 0.00 H new ATOM 0 HB ILE A 13 47.214 52.734 23.571 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.358 54.318 22.177 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.353 54.270 23.928 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.539 52.696 21.093 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.956 53.357 21.567 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.261 54.453 21.057 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.786 52.490 23.006 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.400 51.787 23.873 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.405 51.836 22.094 1.00 0.00 H new ATOM 223 N THR A 14 44.642 55.438 22.874 1.00 0.00 N ATOM 224 CA THR A 14 43.221 55.304 22.623 1.00 0.00 C ATOM 225 C THR A 14 42.986 54.486 21.351 1.00 0.00 C ATOM 226 O THR A 14 43.506 54.842 20.297 1.00 0.00 O ATOM 227 CB THR A 14 42.530 56.658 22.489 1.00 0.00 C ATOM 228 OG1 THR A 14 42.605 57.383 23.696 1.00 0.00 O ATOM 229 CG2 THR A 14 41.042 56.533 22.171 1.00 0.00 C ATOM 0 H THR A 14 45.084 56.180 22.331 1.00 0.00 H new ATOM 0 HA THR A 14 42.790 54.791 23.483 1.00 0.00 H new ATOM 0 HB THR A 14 43.049 57.162 21.674 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.984 56.997 24.349 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.603 57.527 22.087 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.915 56.000 21.229 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.544 55.983 22.970 1.00 0.00 H new ATOM 237 N LEU A 15 42.169 53.440 21.437 1.00 0.00 N ATOM 238 CA LEU A 15 41.694 52.688 20.294 1.00 0.00 C ATOM 239 C LEU A 15 40.202 52.932 20.063 1.00 0.00 C ATOM 240 O LEU A 15 39.418 52.923 21.010 1.00 0.00 O ATOM 241 CB LEU A 15 41.976 51.197 20.459 1.00 0.00 C ATOM 242 CG LEU A 15 43.413 50.804 20.790 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.495 49.285 20.904 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.425 51.247 19.737 1.00 0.00 C ATOM 0 H LEU A 15 41.814 53.089 22.327 1.00 0.00 H new ATOM 0 HA LEU A 15 42.238 53.038 19.417 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.328 50.813 21.247 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.689 50.692 19.537 1.00 0.00 H new ATOM 0 HG LEU A 15 43.665 51.307 21.724 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.518 48.993 21.140 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.828 48.943 21.695 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.198 48.833 19.958 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.425 50.934 20.039 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.176 50.792 18.779 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.399 52.332 19.641 1.00 0.00 H new ATOM 256 N GLU A 16 39.810 53.101 18.804 1.00 0.00 N ATOM 257 CA GLU A 16 38.434 53.142 18.349 1.00 0.00 C ATOM 258 C GLU A 16 38.069 51.743 17.848 1.00 0.00 C ATOM 259 O GLU A 16 38.600 51.274 16.844 1.00 0.00 O ATOM 260 CB GLU A 16 38.270 54.195 17.258 1.00 0.00 C ATOM 261 CG GLU A 16 38.612 55.632 17.642 1.00 0.00 C ATOM 262 CD GLU A 16 37.520 56.419 18.370 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.360 55.967 18.477 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.786 57.569 18.782 1.00 0.00 O ATOM 0 H GLU A 16 40.478 53.218 18.042 1.00 0.00 H new ATOM 0 HA GLU A 16 37.763 53.423 19.161 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.895 53.910 16.412 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.236 54.171 16.913 1.00 0.00 H new ATOM 0 HG2 GLU A 16 39.500 55.615 18.274 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.877 56.175 16.735 1.00 0.00 H new ATOM 271 N VAL A 17 37.222 51.030 18.584 1.00 0.00 N ATOM 272 CA VAL A 17 36.907 49.630 18.379 1.00 0.00 C ATOM 273 C VAL A 17 35.403 49.363 18.438 1.00 0.00 C ATOM 274 O VAL A 17 34.646 50.112 19.051 1.00 0.00 O ATOM 275 CB VAL A 17 37.627 48.727 19.376 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.145 48.839 19.274 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.215 48.999 20.820 1.00 0.00 C ATOM 0 H VAL A 17 36.717 51.435 19.373 1.00 0.00 H new ATOM 0 HA VAL A 17 37.261 49.390 17.376 1.00 0.00 H new ATOM 0 HB VAL A 17 37.323 47.716 19.105 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.609 48.176 20.005 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.464 48.554 18.272 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.448 49.867 19.473 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.758 48.328 21.486 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.448 50.032 21.076 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.144 48.831 20.931 1.00 0.00 H new ATOM 287 N GLU A 18 34.964 48.250 17.856 1.00 0.00 N ATOM 288 CA GLU A 18 33.623 47.729 18.032 1.00 0.00 C ATOM 289 C GLU A 18 33.662 46.350 18.692 1.00 0.00 C ATOM 290 O GLU A 18 34.639 45.630 18.491 1.00 0.00 O ATOM 291 CB GLU A 18 32.877 47.705 16.702 1.00 0.00 C ATOM 292 CG GLU A 18 32.602 49.093 16.130 1.00 0.00 C ATOM 293 CD GLU A 18 31.827 50.000 17.089 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.761 49.593 17.600 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.285 51.131 17.358 1.00 0.00 O ATOM 0 H GLU A 18 35.544 47.680 17.240 1.00 0.00 H new ATOM 0 HA GLU A 18 33.074 48.393 18.700 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.458 47.132 15.979 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.930 47.182 16.836 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.550 49.569 15.877 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.039 48.991 15.202 1.00 0.00 H new ATOM 302 N PRO A 19 32.657 45.933 19.456 1.00 0.00 N ATOM 303 CA PRO A 19 32.667 44.652 20.134 1.00 0.00 C ATOM 304 C PRO A 19 32.925 43.431 19.248 1.00 0.00 C ATOM 305 O PRO A 19 33.514 42.456 19.710 1.00 0.00 O ATOM 306 CB PRO A 19 31.313 44.551 20.832 1.00 0.00 C ATOM 307 CG PRO A 19 30.949 46.006 21.114 1.00 0.00 C ATOM 308 CD PRO A 19 31.531 46.727 19.901 1.00 0.00 C ATOM 0 HA PRO A 19 33.513 44.629 20.821 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.570 44.067 20.198 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.377 43.968 21.751 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.871 46.148 21.193 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.386 46.361 22.047 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.786 46.822 19.111 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.847 47.737 20.164 1.00 0.00 H new ATOM 316 N SER A 20 32.533 43.478 17.979 1.00 0.00 N ATOM 317 CA SER A 20 32.790 42.449 16.991 1.00 0.00 C ATOM 318 C SER A 20 34.219 42.403 16.449 1.00 0.00 C ATOM 319 O SER A 20 34.528 41.492 15.684 1.00 0.00 O ATOM 320 CB SER A 20 31.776 42.547 15.856 1.00 0.00 C ATOM 321 OG SER A 20 31.659 43.865 15.373 1.00 0.00 O ATOM 0 H SER A 20 32.008 44.266 17.601 1.00 0.00 H new ATOM 0 HA SER A 20 32.673 41.504 17.521 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.076 41.887 15.042 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.804 42.200 16.206 1.00 0.00 H new ATOM 0 HG SER A 20 31.002 43.890 14.646 1.00 0.00 H new ATOM 327 N ASP A 21 35.101 43.324 16.828 1.00 0.00 N ATOM 328 CA ASP A 21 36.497 43.302 16.445 1.00 0.00 C ATOM 329 C ASP A 21 37.202 42.090 17.059 1.00 0.00 C ATOM 330 O ASP A 21 37.048 41.807 18.245 1.00 0.00 O ATOM 331 CB ASP A 21 37.226 44.577 16.862 1.00 0.00 C ATOM 332 CG ASP A 21 36.843 45.837 16.084 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.139 45.742 15.055 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.317 46.937 16.440 1.00 0.00 O ATOM 0 H ASP A 21 34.855 44.117 17.420 1.00 0.00 H new ATOM 0 HA ASP A 21 36.527 43.234 15.358 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.037 44.753 17.921 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.298 44.415 16.752 1.00 0.00 H new ATOM 339 N THR A 22 38.012 41.394 16.266 1.00 0.00 N ATOM 340 CA THR A 22 38.860 40.325 16.751 1.00 0.00 C ATOM 341 C THR A 22 40.097 40.877 17.461 1.00 0.00 C ATOM 342 O THR A 22 40.544 41.986 17.176 1.00 0.00 O ATOM 343 CB THR A 22 39.278 39.341 15.662 1.00 0.00 C ATOM 344 OG1 THR A 22 40.072 39.969 14.681 1.00 0.00 O ATOM 345 CG2 THR A 22 38.085 38.692 14.966 1.00 0.00 C ATOM 0 H THR A 22 38.094 41.562 15.263 1.00 0.00 H new ATOM 0 HA THR A 22 38.252 39.770 17.465 1.00 0.00 H new ATOM 0 HB THR A 22 39.851 38.567 16.172 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.326 39.314 13.997 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.441 38.002 14.201 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.489 38.147 15.698 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.471 39.463 14.501 1.00 0.00 H new ATOM 353 N ILE A 23 40.709 40.083 18.336 1.00 0.00 N ATOM 354 CA ILE A 23 41.963 40.443 18.966 1.00 0.00 C ATOM 355 C ILE A 23 43.072 40.638 17.931 1.00 0.00 C ATOM 356 O ILE A 23 43.898 41.536 18.077 1.00 0.00 O ATOM 357 CB ILE A 23 42.309 39.418 20.042 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.261 39.318 21.148 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.690 39.662 20.643 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.813 40.634 21.776 1.00 0.00 C ATOM 0 H ILE A 23 40.345 39.175 18.624 1.00 0.00 H new ATOM 0 HA ILE A 23 41.858 41.408 19.461 1.00 0.00 H new ATOM 0 HB ILE A 23 42.319 38.459 19.525 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.383 38.816 20.742 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.657 38.679 21.938 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.894 38.909 21.404 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.444 39.599 19.859 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.720 40.653 21.096 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.069 40.434 22.547 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.672 41.135 22.222 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.378 41.274 21.008 1.00 0.00 H new ATOM 372 N GLU A 24 43.052 39.889 16.832 1.00 0.00 N ATOM 373 CA GLU A 24 43.896 40.120 15.678 1.00 0.00 C ATOM 374 C GLU A 24 43.721 41.517 15.079 1.00 0.00 C ATOM 375 O GLU A 24 44.711 42.196 14.815 1.00 0.00 O ATOM 376 CB GLU A 24 43.606 39.044 14.635 1.00 0.00 C ATOM 377 CG GLU A 24 44.798 38.141 14.329 1.00 0.00 C ATOM 378 CD GLU A 24 45.803 38.818 13.395 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.561 38.867 12.170 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.859 39.288 13.871 1.00 0.00 O ATOM 0 H GLU A 24 42.431 39.087 16.723 1.00 0.00 H new ATOM 0 HA GLU A 24 44.935 40.063 16.003 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.777 38.429 14.983 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.281 39.525 13.712 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.295 37.868 15.260 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.445 37.216 13.873 1.00 0.00 H new ATOM 387 N ASN A 25 42.487 41.988 14.922 1.00 0.00 N ATOM 388 CA ASN A 25 42.203 43.319 14.424 1.00 0.00 C ATOM 389 C ASN A 25 42.585 44.406 15.431 1.00 0.00 C ATOM 390 O ASN A 25 43.094 45.451 15.034 1.00 0.00 O ATOM 391 CB ASN A 25 40.740 43.415 14.003 1.00 0.00 C ATOM 392 CG ASN A 25 40.384 42.566 12.780 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.193 41.846 12.199 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.140 42.632 12.315 1.00 0.00 N ATOM 0 H ASN A 25 41.651 41.446 15.141 1.00 0.00 H new ATOM 0 HA ASN A 25 42.824 43.495 13.546 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.112 43.109 14.839 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.502 44.457 13.790 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.874 42.092 11.492 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.452 43.223 12.781 1.00 0.00 H new ATOM 401 N VAL A 26 42.436 44.168 16.731 1.00 0.00 N ATOM 402 CA VAL A 26 42.913 45.068 17.762 1.00 0.00 C ATOM 403 C VAL A 26 44.434 45.227 17.707 1.00 0.00 C ATOM 404 O VAL A 26 44.927 46.351 17.759 1.00 0.00 O ATOM 405 CB VAL A 26 42.433 44.626 19.141 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.037 45.449 20.277 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.918 44.754 19.259 1.00 0.00 C ATOM 0 H VAL A 26 41.975 43.335 17.096 1.00 0.00 H new ATOM 0 HA VAL A 26 42.486 46.052 17.571 1.00 0.00 H new ATOM 0 HB VAL A 26 42.755 43.589 19.235 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.656 45.086 21.232 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.123 45.353 20.259 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.764 46.497 20.152 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.602 44.433 20.251 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.628 45.793 19.104 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.440 44.128 18.506 1.00 0.00 H new ATOM 417 N LYS A 27 45.190 44.153 17.498 1.00 0.00 N ATOM 418 CA LYS A 27 46.623 44.212 17.287 1.00 0.00 C ATOM 419 C LYS A 27 47.003 44.960 16.008 1.00 0.00 C ATOM 420 O LYS A 27 48.008 45.669 16.006 1.00 0.00 O ATOM 421 CB LYS A 27 47.214 42.806 17.275 1.00 0.00 C ATOM 422 CG LYS A 27 47.186 42.128 18.642 1.00 0.00 C ATOM 423 CD LYS A 27 47.752 40.715 18.524 1.00 0.00 C ATOM 424 CE LYS A 27 47.747 40.005 19.874 1.00 0.00 C ATOM 425 NZ LYS A 27 48.318 38.657 19.727 1.00 0.00 N ATOM 0 H LYS A 27 44.813 43.205 17.471 1.00 0.00 H new ATOM 0 HA LYS A 27 47.043 44.776 18.119 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.662 42.193 16.562 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.244 42.855 16.923 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.770 42.706 19.358 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.164 42.091 19.020 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.163 40.143 17.807 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.770 40.759 18.137 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.325 40.578 20.599 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.729 39.939 20.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.003 38.058 20.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.999 38.241 18.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.356 38.717 19.732 1.00 0.00 H new ATOM 439 N ALA A 28 46.202 44.860 14.951 1.00 0.00 N ATOM 440 CA ALA A 28 46.392 45.612 13.728 1.00 0.00 C ATOM 441 C ALA A 28 46.156 47.112 13.917 1.00 0.00 C ATOM 442 O ALA A 28 46.921 47.911 13.382 1.00 0.00 O ATOM 443 CB ALA A 28 45.498 45.039 12.631 1.00 0.00 C ATOM 0 H ALA A 28 45.391 44.242 14.926 1.00 0.00 H new ATOM 0 HA ALA A 28 47.435 45.509 13.429 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.642 45.606 11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.758 43.995 12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.455 45.107 12.939 1.00 0.00 H new ATOM 449 N LYS A 29 45.173 47.501 14.725 1.00 0.00 N ATOM 450 CA LYS A 29 44.910 48.873 15.106 1.00 0.00 C ATOM 451 C LYS A 29 46.046 49.458 15.949 1.00 0.00 C ATOM 452 O LYS A 29 46.475 50.580 15.687 1.00 0.00 O ATOM 453 CB LYS A 29 43.563 48.965 15.817 1.00 0.00 C ATOM 454 CG LYS A 29 42.384 48.833 14.856 1.00 0.00 C ATOM 455 CD LYS A 29 41.034 48.871 15.566 1.00 0.00 C ATOM 456 CE LYS A 29 39.924 48.840 14.519 1.00 0.00 C ATOM 457 NZ LYS A 29 38.587 49.024 15.105 1.00 0.00 N ATOM 0 H LYS A 29 44.518 46.841 15.144 1.00 0.00 H new ATOM 0 HA LYS A 29 44.861 49.479 14.201 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.501 48.182 16.573 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.496 49.919 16.340 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.427 49.639 14.123 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.473 47.897 14.305 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.939 48.021 16.241 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.953 49.772 16.174 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.104 49.622 13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.956 47.888 13.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.889 49.147 14.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.338 48.188 15.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.588 49.867 15.714 1.00 0.00 H new ATOM 471 N ILE A 30 46.578 48.687 16.893 1.00 0.00 N ATOM 472 CA ILE A 30 47.749 49.033 17.672 1.00 0.00 C ATOM 473 C ILE A 30 48.978 49.199 16.776 1.00 0.00 C ATOM 474 O ILE A 30 49.725 50.160 16.944 1.00 0.00 O ATOM 475 CB ILE A 30 47.987 48.005 18.775 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.893 48.099 19.836 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.354 48.163 19.434 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.846 46.914 20.796 1.00 0.00 C ATOM 0 H ILE A 30 46.189 47.777 17.140 1.00 0.00 H new ATOM 0 HA ILE A 30 47.569 49.995 18.152 1.00 0.00 H new ATOM 0 HB ILE A 30 47.959 47.023 18.302 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.039 49.013 20.412 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.927 48.187 19.338 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.473 47.408 20.211 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.136 48.039 18.685 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.431 49.156 19.878 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.041 47.061 21.516 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.667 45.997 20.234 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.796 46.836 21.324 1.00 0.00 H new ATOM 490 N GLN A 31 49.190 48.316 15.804 1.00 0.00 N ATOM 491 CA GLN A 31 50.278 48.402 14.851 1.00 0.00 C ATOM 492 C GLN A 31 50.213 49.687 14.023 1.00 0.00 C ATOM 493 O GLN A 31 51.237 50.344 13.853 1.00 0.00 O ATOM 494 CB GLN A 31 50.251 47.158 13.967 1.00 0.00 C ATOM 495 CG GLN A 31 51.317 47.122 12.877 1.00 0.00 C ATOM 496 CD GLN A 31 51.240 45.848 12.033 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.329 45.030 12.142 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.214 45.617 11.157 1.00 0.00 N ATOM 0 H GLN A 31 48.592 47.503 15.659 1.00 0.00 H new ATOM 0 HA GLN A 31 51.224 48.442 15.391 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.369 46.278 14.599 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.270 47.084 13.498 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.202 47.992 12.230 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.304 47.193 13.334 1.00 0.00 H new ATOM 0 HE21 GLN A 31 52.977 46.286 11.055 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.198 44.771 10.588 1.00 0.00 H new ATOM 507 N ASP A 32 49.034 50.078 13.547 1.00 0.00 N ATOM 508 CA ASP A 32 48.859 51.286 12.765 1.00 0.00 C ATOM 509 C ASP A 32 49.147 52.553 13.571 1.00 0.00 C ATOM 510 O ASP A 32 49.700 53.507 13.028 1.00 0.00 O ATOM 511 CB ASP A 32 47.464 51.308 12.146 1.00 0.00 C ATOM 512 CG ASP A 32 47.426 52.109 10.843 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.691 51.520 9.772 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.117 53.320 10.873 1.00 0.00 O ATOM 0 H ASP A 32 48.170 49.557 13.697 1.00 0.00 H new ATOM 0 HA ASP A 32 49.595 51.274 11.961 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.137 50.286 11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.759 51.739 12.857 1.00 0.00 H new ATOM 519 N LYS A 33 48.833 52.578 14.864 1.00 0.00 N ATOM 520 CA LYS A 33 49.153 53.670 15.761 1.00 0.00 C ATOM 521 C LYS A 33 50.616 53.710 16.207 1.00 0.00 C ATOM 522 O LYS A 33 51.236 54.768 16.111 1.00 0.00 O ATOM 523 CB LYS A 33 48.212 53.662 16.962 1.00 0.00 C ATOM 524 CG LYS A 33 46.905 54.381 16.640 1.00 0.00 C ATOM 525 CD LYS A 33 45.878 54.224 17.758 1.00 0.00 C ATOM 526 CE LYS A 33 44.588 54.983 17.460 1.00 0.00 C ATOM 527 NZ LYS A 33 44.657 56.396 17.863 1.00 0.00 N ATOM 0 H LYS A 33 48.335 51.815 15.323 1.00 0.00 H new ATOM 0 HA LYS A 33 49.005 54.585 15.187 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.002 52.634 17.257 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.697 54.144 17.811 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.104 55.440 16.476 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.493 53.987 15.711 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.653 53.167 17.897 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.303 54.585 18.694 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.374 54.923 16.393 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.759 54.501 17.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.064 56.968 17.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.313 56.496 18.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.642 56.725 17.807 1.00 0.00 H new ATOM 541 N GLU A 34 51.173 52.608 16.699 1.00 0.00 N ATOM 542 CA GLU A 34 52.418 52.607 17.441 1.00 0.00 C ATOM 543 C GLU A 34 53.623 52.021 16.702 1.00 0.00 C ATOM 544 O GLU A 34 54.741 52.125 17.199 1.00 0.00 O ATOM 545 CB GLU A 34 52.218 51.891 18.774 1.00 0.00 C ATOM 546 CG GLU A 34 51.194 52.554 19.690 1.00 0.00 C ATOM 547 CD GLU A 34 51.569 53.995 20.041 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.616 54.206 20.691 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.861 54.935 19.622 1.00 0.00 O ATOM 0 H GLU A 34 50.763 51.681 16.589 1.00 0.00 H new ATOM 0 HA GLU A 34 52.668 53.657 17.591 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.905 50.865 18.580 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.175 51.840 19.294 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.218 52.544 19.206 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.101 51.972 20.607 1.00 0.00 H new ATOM 556 N GLY A 35 53.445 51.408 15.535 1.00 0.00 N ATOM 557 CA GLY A 35 54.560 50.924 14.745 1.00 0.00 C ATOM 558 C GLY A 35 55.266 49.682 15.293 1.00 0.00 C ATOM 559 O GLY A 35 56.455 49.503 15.044 1.00 0.00 O ATOM 0 H GLY A 35 52.530 51.237 15.118 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.201 50.703 13.740 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.293 51.726 14.653 1.00 0.00 H new ATOM 563 N ILE A 36 54.560 48.848 16.052 1.00 0.00 N ATOM 564 CA ILE A 36 55.013 47.581 16.588 1.00 0.00 C ATOM 565 C ILE A 36 54.254 46.454 15.882 1.00 0.00 C ATOM 566 O ILE A 36 53.026 46.461 15.930 1.00 0.00 O ATOM 567 CB ILE A 36 54.791 47.516 18.096 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.384 48.686 18.878 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.291 46.197 18.675 1.00 0.00 C ATOM 570 CD1 ILE A 36 56.900 48.847 18.805 1.00 0.00 C ATOM 0 H ILE A 36 53.599 49.058 16.322 1.00 0.00 H new ATOM 0 HA ILE A 36 56.083 47.473 16.412 1.00 0.00 H new ATOM 0 HB ILE A 36 53.710 47.587 18.217 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.924 49.606 18.518 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.101 48.576 19.925 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.118 46.183 19.751 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.755 45.369 18.211 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.358 46.094 18.478 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.203 49.710 19.398 1.00 0.00 H new ATOM 0 HD12 ILE A 36 57.380 47.950 19.196 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.201 48.996 17.768 1.00 0.00 H new ATOM 582 N PRO A 37 54.908 45.479 15.261 1.00 0.00 N ATOM 583 CA PRO A 37 54.230 44.393 14.581 1.00 0.00 C ATOM 584 C PRO A 37 53.646 43.396 15.584 1.00 0.00 C ATOM 585 O PRO A 37 54.245 43.191 16.637 1.00 0.00 O ATOM 586 CB PRO A 37 55.288 43.761 13.680 1.00 0.00 C ATOM 587 CG PRO A 37 56.582 43.983 14.458 1.00 0.00 C ATOM 588 CD PRO A 37 56.345 45.321 15.155 1.00 0.00 C ATOM 0 HA PRO A 37 53.378 44.739 13.996 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.095 42.701 13.513 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.320 44.237 12.700 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.763 43.182 15.175 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.448 44.021 13.797 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.811 45.333 16.140 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.785 46.139 14.585 1.00 0.00 H new ATOM 596 N PRO A 38 52.516 42.753 15.302 1.00 0.00 N ATOM 597 CA PRO A 38 51.835 41.859 16.217 1.00 0.00 C ATOM 598 C PRO A 38 52.705 40.829 16.940 1.00 0.00 C ATOM 599 O PRO A 38 52.532 40.669 18.145 1.00 0.00 O ATOM 600 CB PRO A 38 50.741 41.185 15.395 1.00 0.00 C ATOM 601 CG PRO A 38 50.348 42.281 14.408 1.00 0.00 C ATOM 602 CD PRO A 38 51.656 43.029 14.169 1.00 0.00 C ATOM 0 HA PRO A 38 51.452 42.452 17.048 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.107 40.293 14.887 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.899 40.876 16.015 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.949 41.864 13.483 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.580 42.936 14.820 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.124 42.701 13.241 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.476 44.100 14.074 1.00 0.00 H new ATOM 610 N ASP A 39 53.669 40.175 16.296 1.00 0.00 N ATOM 611 CA ASP A 39 54.509 39.196 16.956 1.00 0.00 C ATOM 612 C ASP A 39 55.561 39.773 17.906 1.00 0.00 C ATOM 613 O ASP A 39 56.264 39.013 18.569 1.00 0.00 O ATOM 614 CB ASP A 39 55.051 38.159 15.976 1.00 0.00 C ATOM 615 CG ASP A 39 56.103 38.679 14.994 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.721 39.295 13.976 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.310 38.396 15.162 1.00 0.00 O ATOM 0 H ASP A 39 53.884 40.312 15.308 1.00 0.00 H new ATOM 0 HA ASP A 39 53.847 38.662 17.638 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.483 37.336 16.545 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.217 37.749 15.407 1.00 0.00 H new ATOM 622 N GLN A 40 55.636 41.094 18.043 1.00 0.00 N ATOM 623 CA GLN A 40 56.356 41.816 19.071 1.00 0.00 C ATOM 624 C GLN A 40 55.437 42.497 20.088 1.00 0.00 C ATOM 625 O GLN A 40 55.925 43.082 21.052 1.00 0.00 O ATOM 626 CB GLN A 40 57.312 42.809 18.417 1.00 0.00 C ATOM 627 CG GLN A 40 58.441 42.145 17.634 1.00 0.00 C ATOM 628 CD GLN A 40 59.252 43.143 16.803 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.545 44.269 17.197 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.646 42.780 15.585 1.00 0.00 N ATOM 0 H GLN A 40 55.163 41.723 17.394 1.00 0.00 H new ATOM 0 HA GLN A 40 56.929 41.090 19.648 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.747 43.456 17.746 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.743 43.448 19.188 1.00 0.00 H new ATOM 0 HG2 GLN A 40 59.106 41.632 18.329 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.022 41.385 16.974 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.417 41.851 15.231 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.177 43.431 15.006 1.00 0.00 H new ATOM 639 N GLN A 41 54.118 42.419 19.924 1.00 0.00 N ATOM 640 CA GLN A 41 53.128 42.875 20.879 1.00 0.00 C ATOM 641 C GLN A 41 52.742 41.764 21.858 1.00 0.00 C ATOM 642 O GLN A 41 52.717 40.591 21.491 1.00 0.00 O ATOM 643 CB GLN A 41 51.860 43.352 20.180 1.00 0.00 C ATOM 644 CG GLN A 41 52.005 44.498 19.182 1.00 0.00 C ATOM 645 CD GLN A 41 50.679 44.844 18.501 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.591 44.561 18.996 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.696 45.457 17.321 1.00 0.00 N ATOM 0 H GLN A 41 53.699 42.018 19.085 1.00 0.00 H new ATOM 0 HA GLN A 41 53.584 43.703 21.422 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.422 42.502 19.657 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.147 43.658 20.945 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.388 45.379 19.697 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.740 44.227 18.425 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.586 45.704 16.887 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.819 45.681 16.850 1.00 0.00 H new ATOM 656 N ARG A 42 52.330 42.123 23.071 1.00 0.00 N ATOM 657 CA ARG A 42 51.638 41.275 24.019 1.00 0.00 C ATOM 658 C ARG A 42 50.571 42.088 24.755 1.00 0.00 C ATOM 659 O ARG A 42 50.908 43.055 25.432 1.00 0.00 O ATOM 660 CB ARG A 42 52.681 40.671 24.956 1.00 0.00 C ATOM 661 CG ARG A 42 52.084 39.781 26.043 1.00 0.00 C ATOM 662 CD ARG A 42 53.184 39.166 26.904 1.00 0.00 C ATOM 663 NE ARG A 42 52.636 38.303 27.951 1.00 0.00 N ATOM 664 CZ ARG A 42 52.105 37.085 27.777 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.082 36.468 26.587 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.539 36.445 28.809 1.00 0.00 N ATOM 0 H ARG A 42 52.481 43.065 23.432 1.00 0.00 H new ATOM 0 HA ARG A 42 51.114 40.459 23.521 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.390 40.087 24.369 1.00 0.00 H new ATOM 0 HB3 ARG A 42 53.244 41.477 25.427 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.410 40.366 26.669 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.489 38.990 25.586 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.859 38.588 26.273 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.775 39.960 27.360 1.00 0.00 H new ATOM 0 HE ARG A 42 52.661 38.663 28.905 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.480 36.926 25.767 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.667 35.540 26.502 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.512 36.885 29.729 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.135 35.518 28.675 1.00 0.00 H new ATOM 680 N LEU A 43 49.296 41.730 24.615 1.00 0.00 N ATOM 681 CA LEU A 43 48.165 42.506 25.083 1.00 0.00 C ATOM 682 C LEU A 43 47.378 41.756 26.160 1.00 0.00 C ATOM 683 O LEU A 43 46.884 40.655 25.927 1.00 0.00 O ATOM 684 CB LEU A 43 47.314 42.895 23.878 1.00 0.00 C ATOM 685 CG LEU A 43 46.236 43.936 24.165 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.817 45.323 24.421 1.00 0.00 C ATOM 687 CD2 LEU A 43 45.289 44.045 22.972 1.00 0.00 C ATOM 0 H LEU A 43 49.020 40.862 24.156 1.00 0.00 H new ATOM 0 HA LEU A 43 48.511 43.419 25.568 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.970 43.278 23.096 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.837 41.998 23.483 1.00 0.00 H new ATOM 0 HG LEU A 43 45.713 43.602 25.061 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.008 46.025 24.620 1.00 0.00 H new ATOM 0 HD12 LEU A 43 47.484 45.285 25.282 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.375 45.651 23.544 1.00 0.00 H new ATOM 0 HD21 LEU A 43 44.522 44.790 23.183 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.851 44.344 22.087 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.817 43.079 22.793 1.00 0.00 H new ATOM 699 N ILE A 44 47.287 42.356 27.343 1.00 0.00 N ATOM 700 CA ILE A 44 46.818 41.733 28.565 1.00 0.00 C ATOM 701 C ILE A 44 45.504 42.350 29.050 1.00 0.00 C ATOM 702 O ILE A 44 45.377 43.567 29.158 1.00 0.00 O ATOM 703 CB ILE A 44 47.895 41.794 29.643 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.259 41.267 29.206 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.453 41.070 30.912 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.287 39.817 28.730 1.00 0.00 C ATOM 0 H ILE A 44 47.551 43.332 27.476 1.00 0.00 H new ATOM 0 HA ILE A 44 46.612 40.685 28.348 1.00 0.00 H new ATOM 0 HB ILE A 44 48.021 42.858 29.843 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.632 41.901 28.402 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.952 41.369 30.041 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.243 41.132 31.660 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.548 41.537 31.301 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.252 40.024 30.683 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.304 39.547 28.444 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.951 39.163 29.535 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.626 39.703 27.870 1.00 0.00 H new ATOM 718 N PHE A 45 44.559 41.485 29.404 1.00 0.00 N ATOM 719 CA PHE A 45 43.285 41.785 30.028 1.00 0.00 C ATOM 720 C PHE A 45 43.203 41.119 31.403 1.00 0.00 C ATOM 721 O PHE A 45 43.129 39.896 31.491 1.00 0.00 O ATOM 722 CB PHE A 45 42.174 41.284 29.109 1.00 0.00 C ATOM 723 CG PHE A 45 40.744 41.481 29.551 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.334 42.646 30.211 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.791 40.508 29.227 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.990 42.829 30.560 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.445 40.692 29.564 1.00 0.00 C ATOM 728 CZ PHE A 45 38.040 41.856 30.228 1.00 0.00 C ATOM 0 H PHE A 45 44.677 40.484 29.249 1.00 0.00 H new ATOM 0 HA PHE A 45 43.177 42.860 30.176 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.295 41.773 28.142 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.330 40.217 28.948 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.059 43.409 30.453 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.097 39.609 28.713 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.686 43.722 31.086 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.718 39.935 29.311 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.001 42.002 30.483 1.00 0.00 H new ATOM 738 N ALA A 46 43.239 41.910 32.473 1.00 0.00 N ATOM 739 CA ALA A 46 43.159 41.462 33.848 1.00 0.00 C ATOM 740 C ALA A 46 44.015 40.232 34.158 1.00 0.00 C ATOM 741 O ALA A 46 43.528 39.212 34.640 1.00 0.00 O ATOM 742 CB ALA A 46 41.689 41.313 34.226 1.00 0.00 C ATOM 0 H ALA A 46 43.329 42.923 32.394 1.00 0.00 H new ATOM 0 HA ALA A 46 43.607 42.222 34.488 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.611 40.976 35.260 1.00 0.00 H new ATOM 0 HB2 ALA A 46 41.187 42.274 34.119 1.00 0.00 H new ATOM 0 HB3 ALA A 46 41.217 40.582 33.570 1.00 0.00 H new ATOM 748 N GLY A 47 45.299 40.310 33.820 1.00 0.00 N ATOM 749 CA GLY A 47 46.285 39.263 33.999 1.00 0.00 C ATOM 750 C GLY A 47 46.403 38.225 32.883 1.00 0.00 C ATOM 751 O GLY A 47 47.411 37.522 32.857 1.00 0.00 O ATOM 0 H GLY A 47 45.693 41.148 33.393 1.00 0.00 H new ATOM 0 HA2 GLY A 47 47.260 39.734 34.129 1.00 0.00 H new ATOM 0 HA3 GLY A 47 46.058 38.739 34.927 1.00 0.00 H new ATOM 755 N LYS A 48 45.465 38.131 31.944 1.00 0.00 N ATOM 756 CA LYS A 48 45.442 37.129 30.897 1.00 0.00 C ATOM 757 C LYS A 48 45.851 37.684 29.531 1.00 0.00 C ATOM 758 O LYS A 48 45.399 38.761 29.148 1.00 0.00 O ATOM 759 CB LYS A 48 44.054 36.509 30.771 1.00 0.00 C ATOM 760 CG LYS A 48 43.511 35.862 32.042 1.00 0.00 C ATOM 761 CD LYS A 48 44.280 34.618 32.476 1.00 0.00 C ATOM 762 CE LYS A 48 43.683 33.974 33.724 1.00 0.00 C ATOM 763 NZ LYS A 48 43.647 34.889 34.876 1.00 0.00 N ATOM 0 H LYS A 48 44.676 38.775 31.895 1.00 0.00 H new ATOM 0 HA LYS A 48 46.172 36.375 31.192 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.356 37.283 30.450 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.080 35.757 29.983 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.536 36.593 32.850 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.466 35.595 31.885 1.00 0.00 H new ATOM 0 HD2 LYS A 48 44.283 33.893 31.662 1.00 0.00 H new ATOM 0 HD3 LYS A 48 45.319 34.885 32.669 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.671 33.635 33.503 1.00 0.00 H new ATOM 0 HE3 LYS A 48 44.265 33.091 33.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.394 34.358 35.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 44.583 35.325 35.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.939 35.632 34.707 1.00 0.00 H new ATOM 777 N GLN A 49 46.609 36.911 28.757 1.00 0.00 N ATOM 778 CA GLN A 49 46.848 37.181 27.354 1.00 0.00 C ATOM 779 C GLN A 49 45.568 37.001 26.537 1.00 0.00 C ATOM 780 O GLN A 49 44.950 35.939 26.563 1.00 0.00 O ATOM 781 CB GLN A 49 47.968 36.272 26.855 1.00 0.00 C ATOM 782 CG GLN A 49 48.329 36.503 25.390 1.00 0.00 C ATOM 783 CD GLN A 49 49.400 35.538 24.878 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.954 34.715 25.604 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.713 35.576 23.586 1.00 0.00 N ATOM 0 H GLN A 49 47.077 36.071 29.097 1.00 0.00 H new ATOM 0 HA GLN A 49 47.157 38.219 27.230 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.855 36.430 27.469 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.669 35.232 26.988 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.432 36.398 24.780 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.681 37.527 25.266 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.261 36.253 22.972 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.405 34.928 23.210 1.00 0.00 H new ATOM 794 N LEU A 50 45.204 38.018 25.760 1.00 0.00 N ATOM 795 CA LEU A 50 44.076 37.981 24.853 1.00 0.00 C ATOM 796 C LEU A 50 44.360 37.081 23.649 1.00 0.00 C ATOM 797 O LEU A 50 45.415 37.175 23.024 1.00 0.00 O ATOM 798 CB LEU A 50 43.734 39.411 24.442 1.00 0.00 C ATOM 799 CG LEU A 50 43.093 40.257 25.540 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.058 41.716 25.097 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.660 39.817 25.825 1.00 0.00 C ATOM 0 H LEU A 50 45.701 38.908 25.748 1.00 0.00 H new ATOM 0 HA LEU A 50 43.212 37.545 25.354 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.646 39.906 24.107 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.058 39.377 23.588 1.00 0.00 H new ATOM 0 HG LEU A 50 43.689 40.131 26.444 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.601 42.323 25.879 1.00 0.00 H new ATOM 0 HD12 LEU A 50 44.074 42.065 24.914 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.474 41.804 24.181 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.237 40.442 26.612 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.061 39.918 24.920 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.656 38.776 26.148 1.00 0.00 H new ATOM 813 N GLU A 51 43.422 36.202 23.308 1.00 0.00 N ATOM 814 CA GLU A 51 43.561 35.165 22.305 1.00 0.00 C ATOM 815 C GLU A 51 43.122 35.647 20.920 1.00 0.00 C ATOM 816 O GLU A 51 41.999 36.116 20.743 1.00 0.00 O ATOM 817 CB GLU A 51 42.768 33.951 22.778 1.00 0.00 C ATOM 818 CG GLU A 51 42.925 32.693 21.929 1.00 0.00 C ATOM 819 CD GLU A 51 42.115 31.542 22.530 1.00 0.00 C ATOM 820 OE1 GLU A 51 40.957 31.314 22.118 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.597 30.873 23.469 1.00 0.00 O ATOM 0 H GLU A 51 42.502 36.198 23.748 1.00 0.00 H new ATOM 0 HA GLU A 51 44.610 34.892 22.192 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.068 33.719 23.800 1.00 0.00 H new ATOM 0 HB3 GLU A 51 41.712 34.218 22.809 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.590 32.889 20.910 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.977 32.415 21.870 1.00 0.00 H new ATOM 828 N ASP A 52 43.982 35.491 19.918 1.00 0.00 N ATOM 829 CA ASP A 52 43.876 36.123 18.618 1.00 0.00 C ATOM 830 C ASP A 52 42.619 35.782 17.815 1.00 0.00 C ATOM 831 O ASP A 52 42.197 36.582 16.982 1.00 0.00 O ATOM 832 CB ASP A 52 45.119 35.777 17.802 1.00 0.00 C ATOM 833 CG ASP A 52 46.406 36.378 18.369 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.952 37.323 17.758 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.890 35.909 19.422 1.00 0.00 O ATOM 0 H ASP A 52 44.805 34.894 19.999 1.00 0.00 H new ATOM 0 HA ASP A 52 43.797 37.192 18.814 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.223 34.693 17.755 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.983 36.129 16.779 1.00 0.00 H new ATOM 840 N GLY A 53 42.005 34.626 18.054 1.00 0.00 N ATOM 841 CA GLY A 53 40.795 34.185 17.391 1.00 0.00 C ATOM 842 C GLY A 53 39.475 34.676 17.990 1.00 0.00 C ATOM 843 O GLY A 53 38.434 34.440 17.382 1.00 0.00 O ATOM 0 H GLY A 53 42.352 33.953 18.738 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.839 34.506 16.350 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.785 33.095 17.388 1.00 0.00 H new ATOM 847 N ARG A 54 39.485 35.342 19.142 1.00 0.00 N ATOM 848 CA ARG A 54 38.283 35.798 19.810 1.00 0.00 C ATOM 849 C ARG A 54 37.948 37.254 19.483 1.00 0.00 C ATOM 850 O ARG A 54 38.791 37.999 18.989 1.00 0.00 O ATOM 851 CB ARG A 54 38.369 35.593 21.320 1.00 0.00 C ATOM 852 CG ARG A 54 38.781 34.179 21.719 1.00 0.00 C ATOM 853 CD ARG A 54 38.500 33.954 23.201 1.00 0.00 C ATOM 854 NE ARG A 54 39.317 32.860 23.726 1.00 0.00 N ATOM 855 CZ ARG A 54 39.526 32.575 25.019 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.835 33.159 26.008 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.463 31.686 25.372 1.00 0.00 N ATOM 0 H ARG A 54 40.343 35.580 19.639 1.00 0.00 H new ATOM 0 HA ARG A 54 37.468 35.184 19.426 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.085 36.302 21.735 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.400 35.820 21.765 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.234 33.450 21.122 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.841 34.028 21.514 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.707 34.868 23.758 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.444 33.726 23.345 1.00 0.00 H new ATOM 0 HE ARG A 54 39.772 32.255 23.042 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.117 33.850 25.790 1.00 0.00 H new ATOM 0 HH12 ARG A 54 39.027 32.912 26.979 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.022 31.222 24.656 1.00 0.00 H new ATOM 0 HH22 ARG A 54 40.618 31.473 26.357 1.00 0.00 H new ATOM 871 N THR A 55 36.721 37.656 19.803 1.00 0.00 N ATOM 872 CA THR A 55 36.230 39.018 19.733 1.00 0.00 C ATOM 873 C THR A 55 36.257 39.720 21.092 1.00 0.00 C ATOM 874 O THR A 55 36.205 39.071 22.134 1.00 0.00 O ATOM 875 CB THR A 55 34.819 39.080 19.156 1.00 0.00 C ATOM 876 OG1 THR A 55 33.964 38.197 19.846 1.00 0.00 O ATOM 877 CG2 THR A 55 34.792 38.697 17.679 1.00 0.00 C ATOM 0 H THR A 55 36.011 37.003 20.134 1.00 0.00 H new ATOM 0 HA THR A 55 36.911 39.545 19.064 1.00 0.00 H new ATOM 0 HB THR A 55 34.482 40.110 19.268 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.185 38.690 20.180 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.769 38.754 17.307 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.423 39.383 17.114 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.165 37.680 17.560 1.00 0.00 H new ATOM 885 N LEU A 56 36.271 41.050 21.090 1.00 0.00 N ATOM 886 CA LEU A 56 36.091 41.849 22.287 1.00 0.00 C ATOM 887 C LEU A 56 34.778 41.526 23.004 1.00 0.00 C ATOM 888 O LEU A 56 34.750 41.470 24.231 1.00 0.00 O ATOM 889 CB LEU A 56 36.155 43.331 21.931 1.00 0.00 C ATOM 890 CG LEU A 56 37.510 43.859 21.471 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.378 45.332 21.092 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.569 43.765 22.564 1.00 0.00 C ATOM 0 H LEU A 56 36.410 41.604 20.245 1.00 0.00 H new ATOM 0 HA LEU A 56 36.899 41.604 22.976 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.427 43.525 21.143 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.842 43.906 22.803 1.00 0.00 H new ATOM 0 HG LEU A 56 37.818 43.246 20.624 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.346 45.711 20.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.654 45.436 20.284 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.040 45.902 21.958 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.516 44.153 22.188 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.254 44.351 23.427 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.696 42.723 22.859 1.00 0.00 H new ATOM 904 N SER A 57 33.712 41.244 22.261 1.00 0.00 N ATOM 905 CA SER A 57 32.433 40.801 22.781 1.00 0.00 C ATOM 906 C SER A 57 32.503 39.467 23.528 1.00 0.00 C ATOM 907 O SER A 57 31.908 39.346 24.595 1.00 0.00 O ATOM 908 CB SER A 57 31.412 40.700 21.653 1.00 0.00 C ATOM 909 OG SER A 57 31.833 39.819 20.636 1.00 0.00 O ATOM 0 H SER A 57 33.721 41.322 21.244 1.00 0.00 H new ATOM 0 HA SER A 57 32.126 41.553 23.507 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.459 40.359 22.057 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.242 41.689 21.228 1.00 0.00 H new ATOM 0 HG SER A 57 31.151 39.781 19.933 1.00 0.00 H new ATOM 915 N ASP A 58 33.263 38.488 23.042 1.00 0.00 N ATOM 916 CA ASP A 58 33.413 37.197 23.681 1.00 0.00 C ATOM 917 C ASP A 58 34.303 37.238 24.925 1.00 0.00 C ATOM 918 O ASP A 58 34.199 36.374 25.794 1.00 0.00 O ATOM 919 CB ASP A 58 33.905 36.172 22.663 1.00 0.00 C ATOM 920 CG ASP A 58 33.872 34.748 23.223 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.789 34.288 23.645 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.936 34.093 23.266 1.00 0.00 O ATOM 0 H ASP A 58 33.798 38.578 22.178 1.00 0.00 H new ATOM 0 HA ASP A 58 32.431 36.894 24.043 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.286 36.224 21.768 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.923 36.420 22.362 1.00 0.00 H new ATOM 927 N TYR A 59 35.139 38.261 25.072 1.00 0.00 N ATOM 928 CA TYR A 59 35.765 38.617 26.329 1.00 0.00 C ATOM 929 C TYR A 59 34.890 39.490 27.231 1.00 0.00 C ATOM 930 O TYR A 59 35.267 39.735 28.375 1.00 0.00 O ATOM 931 CB TYR A 59 37.127 39.250 26.058 1.00 0.00 C ATOM 932 CG TYR A 59 38.228 38.248 25.806 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.691 37.465 26.871 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.804 38.118 24.538 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.732 36.548 26.680 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.861 37.220 24.340 1.00 0.00 C ATOM 937 CZ TYR A 59 40.321 36.423 25.406 1.00 0.00 C ATOM 938 OH TYR A 59 41.339 35.542 25.190 1.00 0.00 O ATOM 0 H TYR A 59 35.402 38.875 24.301 1.00 0.00 H new ATOM 0 HA TYR A 59 35.904 37.697 26.896 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.045 39.910 25.194 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.403 39.872 26.909 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.242 37.569 27.847 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.435 38.709 23.713 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.081 35.941 27.503 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.324 37.139 23.368 1.00 0.00 H new ATOM 0 HH TYR A 59 41.244 34.778 25.796 1.00 0.00 H new ATOM 948 N ASN A 60 33.724 39.938 26.774 1.00 0.00 N ATOM 949 CA ASN A 60 32.870 40.903 27.436 1.00 0.00 C ATOM 950 C ASN A 60 33.618 42.172 27.853 1.00 0.00 C ATOM 951 O ASN A 60 33.568 42.612 29.000 1.00 0.00 O ATOM 952 CB ASN A 60 32.026 40.238 28.520 1.00 0.00 C ATOM 953 CG ASN A 60 30.784 41.059 28.873 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.513 42.126 28.326 1.00 0.00 O ATOM 955 ND2 ASN A 60 29.929 40.558 29.759 1.00 0.00 N ATOM 0 H ASN A 60 33.335 39.618 25.887 1.00 0.00 H new ATOM 0 HA ASN A 60 32.147 41.279 26.712 1.00 0.00 H new ATOM 0 HB2 ASN A 60 31.721 39.247 28.183 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.632 40.097 29.415 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.066 41.058 29.974 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.136 39.674 30.224 1.00 0.00 H new ATOM 962 N ILE A 61 34.345 42.745 26.898 1.00 0.00 N ATOM 963 CA ILE A 61 34.968 44.049 26.993 1.00 0.00 C ATOM 964 C ILE A 61 33.965 45.098 26.508 1.00 0.00 C ATOM 965 O ILE A 61 33.330 44.930 25.469 1.00 0.00 O ATOM 966 CB ILE A 61 36.298 44.067 26.246 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.303 43.151 26.939 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.864 45.482 26.151 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.534 42.806 26.107 1.00 0.00 C ATOM 0 H ILE A 61 34.520 42.289 26.002 1.00 0.00 H new ATOM 0 HA ILE A 61 35.221 44.289 28.026 1.00 0.00 H new ATOM 0 HB ILE A 61 36.117 43.706 25.234 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.629 43.626 27.864 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.798 42.226 27.217 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.812 45.459 25.613 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.159 46.121 25.618 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.025 45.877 27.154 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.190 42.152 26.682 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.225 42.298 25.193 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.068 43.721 25.851 1.00 0.00 H new ATOM 981 N GLN A 62 33.811 46.159 27.294 1.00 0.00 N ATOM 982 CA GLN A 62 32.832 47.212 27.115 1.00 0.00 C ATOM 983 C GLN A 62 33.493 48.583 26.960 1.00 0.00 C ATOM 984 O GLN A 62 34.710 48.703 27.073 1.00 0.00 O ATOM 985 CB GLN A 62 31.853 47.149 28.284 1.00 0.00 C ATOM 986 CG GLN A 62 31.084 45.832 28.308 1.00 0.00 C ATOM 987 CD GLN A 62 30.079 45.684 29.452 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.675 46.619 30.138 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.632 44.456 29.702 1.00 0.00 N ATOM 0 H GLN A 62 34.399 46.310 28.114 1.00 0.00 H new ATOM 0 HA GLN A 62 32.282 47.061 26.186 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.397 47.269 29.221 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.150 47.979 28.215 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.552 45.723 27.363 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.800 45.013 28.367 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.959 43.670 29.140 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.962 44.301 30.455 1.00 0.00 H new ATOM 998 N LYS A 63 32.711 49.630 26.713 1.00 0.00 N ATOM 999 CA LYS A 63 33.188 50.987 26.532 1.00 0.00 C ATOM 1000 C LYS A 63 34.132 51.445 27.646 1.00 0.00 C ATOM 1001 O LYS A 63 33.896 51.179 28.822 1.00 0.00 O ATOM 1002 CB LYS A 63 32.017 51.946 26.345 1.00 0.00 C ATOM 1003 CG LYS A 63 31.111 52.078 27.565 1.00 0.00 C ATOM 1004 CD LYS A 63 29.863 52.932 27.356 1.00 0.00 C ATOM 1005 CE LYS A 63 28.929 52.331 26.309 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.574 52.900 26.379 1.00 0.00 N ATOM 0 H LYS A 63 31.697 49.549 26.632 1.00 0.00 H new ATOM 0 HA LYS A 63 33.787 50.997 25.621 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.407 52.931 26.089 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.419 51.610 25.498 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.802 51.081 27.878 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.691 52.504 28.384 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.330 53.034 28.302 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.157 53.935 27.047 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.342 52.503 25.315 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.875 51.251 26.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.975 52.462 25.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.168 52.714 27.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.620 53.927 26.219 1.00 0.00 H new ATOM 1020 N GLU A 64 35.201 52.143 27.274 1.00 0.00 N ATOM 1021 CA GLU A 64 36.166 52.781 28.147 1.00 0.00 C ATOM 1022 C GLU A 64 36.897 51.848 29.113 1.00 0.00 C ATOM 1023 O GLU A 64 37.419 52.286 30.136 1.00 0.00 O ATOM 1024 CB GLU A 64 35.548 54.018 28.794 1.00 0.00 C ATOM 1025 CG GLU A 64 35.154 55.067 27.758 1.00 0.00 C ATOM 1026 CD GLU A 64 34.575 56.327 28.408 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.441 56.709 28.049 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.225 56.936 29.284 1.00 0.00 O ATOM 0 H GLU A 64 35.426 52.284 26.289 1.00 0.00 H new ATOM 0 HA GLU A 64 36.990 53.115 27.517 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.668 53.726 29.368 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.258 54.452 29.498 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.027 55.335 27.163 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.420 54.642 27.073 1.00 0.00 H new ATOM 1035 N SER A 65 36.948 50.557 28.797 1.00 0.00 N ATOM 1036 CA SER A 65 37.694 49.544 29.516 1.00 0.00 C ATOM 1037 C SER A 65 39.206 49.657 29.309 1.00 0.00 C ATOM 1038 O SER A 65 39.656 50.190 28.297 1.00 0.00 O ATOM 1039 CB SER A 65 37.229 48.152 29.098 1.00 0.00 C ATOM 1040 OG SER A 65 35.844 48.014 29.313 1.00 0.00 O ATOM 0 H SER A 65 36.445 50.177 27.995 1.00 0.00 H new ATOM 0 HA SER A 65 37.497 49.707 30.576 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.459 47.985 28.046 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.769 47.395 29.666 1.00 0.00 H new ATOM 0 HG SER A 65 35.355 48.453 28.586 1.00 0.00 H new ATOM 1046 N THR A 66 39.987 49.114 30.238 1.00 0.00 N ATOM 1047 CA THR A 66 41.430 49.244 30.280 1.00 0.00 C ATOM 1048 C THR A 66 42.147 47.918 30.015 1.00 0.00 C ATOM 1049 O THR A 66 41.786 46.884 30.572 1.00 0.00 O ATOM 1050 CB THR A 66 41.917 49.845 31.595 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.217 51.025 31.921 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.388 50.248 31.552 1.00 0.00 C ATOM 0 H THR A 66 39.615 48.554 31.005 1.00 0.00 H new ATOM 0 HA THR A 66 41.684 49.931 29.473 1.00 0.00 H new ATOM 0 HB THR A 66 41.751 49.057 32.330 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.554 51.381 32.770 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.678 50.669 32.515 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.000 49.371 31.340 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.539 50.992 30.770 1.00 0.00 H new ATOM 1060 N LEU A 67 43.214 47.973 29.223 1.00 0.00 N ATOM 1061 CA LEU A 67 44.125 46.889 28.913 1.00 0.00 C ATOM 1062 C LEU A 67 45.571 47.350 29.105 1.00 0.00 C ATOM 1063 O LEU A 67 45.832 48.551 29.142 1.00 0.00 O ATOM 1064 CB LEU A 67 43.907 46.442 27.470 1.00 0.00 C ATOM 1065 CG LEU A 67 42.541 45.848 27.142 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.452 45.550 25.647 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.299 44.541 27.892 1.00 0.00 C ATOM 0 H LEU A 67 43.478 48.838 28.751 1.00 0.00 H new ATOM 0 HA LEU A 67 43.932 46.052 29.584 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.072 47.300 26.818 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.669 45.703 27.223 1.00 0.00 H new ATOM 0 HG LEU A 67 41.791 46.579 27.443 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.474 45.126 25.418 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.588 46.473 25.083 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.230 44.838 25.371 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.316 44.149 27.632 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.064 43.815 27.615 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.344 44.724 28.966 1.00 0.00 H new ATOM 1079 N HIS A 68 46.523 46.425 29.185 1.00 0.00 N ATOM 1080 CA HIS A 68 47.940 46.727 29.224 1.00 0.00 C ATOM 1081 C HIS A 68 48.660 46.116 28.021 1.00 0.00 C ATOM 1082 O HIS A 68 48.430 44.954 27.689 1.00 0.00 O ATOM 1083 CB HIS A 68 48.569 46.246 30.529 1.00 0.00 C ATOM 1084 CG HIS A 68 48.151 47.001 31.761 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.987 47.804 32.536 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.927 46.926 32.373 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.257 48.219 33.573 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.017 47.705 33.508 1.00 0.00 N ATOM 0 H HIS A 68 46.321 45.426 29.225 1.00 0.00 H new ATOM 0 HA HIS A 68 48.051 47.810 29.175 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.321 45.194 30.666 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.653 46.308 30.435 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.066 46.369 32.035 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.612 48.875 34.354 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.269 47.864 34.183 1.00 0.00 H new ATOM 1096 N LEU A 69 49.540 46.882 27.384 1.00 0.00 N ATOM 1097 CA LEU A 69 50.370 46.463 26.272 1.00 0.00 C ATOM 1098 C LEU A 69 51.835 46.373 26.707 1.00 0.00 C ATOM 1099 O LEU A 69 52.415 47.347 27.180 1.00 0.00 O ATOM 1100 CB LEU A 69 50.160 47.432 25.112 1.00 0.00 C ATOM 1101 CG LEU A 69 51.089 47.273 23.912 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.929 45.926 23.214 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.780 48.370 22.897 1.00 0.00 C ATOM 0 H LEU A 69 49.697 47.855 27.645 1.00 0.00 H new ATOM 0 HA LEU A 69 50.086 45.466 25.936 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.132 47.328 24.763 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.266 48.448 25.493 1.00 0.00 H new ATOM 0 HG LEU A 69 52.110 47.340 24.287 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.615 45.870 22.369 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.153 45.123 23.917 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.904 45.820 22.857 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.439 48.265 22.035 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.743 48.284 22.573 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.937 49.346 23.357 1.00 0.00 H new ATOM 1115 N VAL A 70 52.435 45.203 26.503 1.00 0.00 N ATOM 1116 CA VAL A 70 53.810 44.876 26.818 1.00 0.00 C ATOM 1117 C VAL A 70 54.549 44.522 25.525 1.00 0.00 C ATOM 1118 O VAL A 70 53.971 43.919 24.624 1.00 0.00 O ATOM 1119 CB VAL A 70 53.869 43.741 27.837 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.287 43.486 28.338 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.014 44.018 29.071 1.00 0.00 C ATOM 0 H VAL A 70 51.938 44.415 26.088 1.00 0.00 H new ATOM 0 HA VAL A 70 54.302 45.737 27.271 1.00 0.00 H new ATOM 0 HB VAL A 70 53.490 42.872 27.299 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.276 42.670 29.060 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.927 43.218 27.497 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.672 44.387 28.815 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.092 43.180 29.763 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.365 44.926 29.560 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.974 44.146 28.772 1.00 0.00 H new ATOM 1131 N LEU A 71 55.823 44.887 25.419 1.00 0.00 N ATOM 1132 CA LEU A 71 56.656 44.524 24.290 1.00 0.00 C ATOM 1133 C LEU A 71 57.322 43.157 24.460 1.00 0.00 C ATOM 1134 O LEU A 71 57.691 42.751 25.560 1.00 0.00 O ATOM 1135 CB LEU A 71 57.678 45.620 23.999 1.00 0.00 C ATOM 1136 CG LEU A 71 57.106 46.977 23.599 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.252 47.911 23.218 1.00 0.00 C ATOM 1138 CD2 LEU A 71 56.165 46.902 22.400 1.00 0.00 C ATOM 0 H LEU A 71 56.305 45.447 26.122 1.00 0.00 H new ATOM 0 HA LEU A 71 56.000 44.431 23.424 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.298 45.756 24.885 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.335 45.275 23.200 1.00 0.00 H new ATOM 0 HG LEU A 71 56.541 47.340 24.458 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.850 48.883 22.931 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.921 48.033 24.070 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.805 47.486 22.380 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.793 47.900 22.167 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.703 46.505 21.539 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.326 46.248 22.636 1.00 0.00 H new ATOM 1150 N ARG A 72 57.499 42.456 23.344 1.00 0.00 N ATOM 1151 CA ARG A 72 58.161 41.171 23.230 1.00 0.00 C ATOM 1152 C ARG A 72 59.131 41.146 22.047 1.00 0.00 C ATOM 1153 O ARG A 72 58.970 40.365 21.112 1.00 0.00 O ATOM 1154 CB ARG A 72 57.124 40.053 23.178 1.00 0.00 C ATOM 1155 CG ARG A 72 56.446 39.754 24.512 1.00 0.00 C ATOM 1156 CD ARG A 72 57.401 39.073 25.488 1.00 0.00 C ATOM 1157 NE ARG A 72 56.801 38.883 26.808 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.941 39.693 27.867 1.00 0.00 C ATOM 1159 NH1 ARG A 72 57.492 40.912 27.792 1.00 0.00 N ATOM 1160 NH2 ARG A 72 56.518 39.327 29.085 1.00 0.00 N ATOM 0 H ARG A 72 57.162 42.795 22.443 1.00 0.00 H new ATOM 0 HA ARG A 72 58.772 41.004 24.117 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.359 40.318 22.448 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.606 39.144 22.819 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.078 40.682 24.950 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.579 39.115 24.345 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.701 38.106 25.085 1.00 0.00 H new ATOM 0 HD3 ARG A 72 58.306 39.672 25.585 1.00 0.00 H new ATOM 0 HE ARG A 72 56.220 38.054 26.935 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.830 41.265 26.897 1.00 0.00 H new ATOM 0 HH12 ARG A 72 57.574 41.487 28.630 1.00 0.00 H new ATOM 0 HH21 ARG A 72 56.079 38.416 29.220 1.00 0.00 H new ATOM 0 HH22 ARG A 72 56.635 39.959 29.877 1.00 0.00 H new ATOM 1174 N LEU A 73 60.148 42.003 22.084 1.00 0.00 N ATOM 1175 CA LEU A 73 61.301 41.888 21.214 1.00 0.00 C ATOM 1176 C LEU A 73 62.164 40.731 21.720 1.00 0.00 C ATOM 1177 O LEU A 73 62.423 40.656 22.918 1.00 0.00 O ATOM 1178 CB LEU A 73 62.095 43.191 21.188 1.00 0.00 C ATOM 1179 CG LEU A 73 61.493 44.329 20.368 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.192 44.903 20.923 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.493 45.481 20.323 1.00 0.00 C ATOM 0 H LEU A 73 60.190 42.797 22.723 1.00 0.00 H new ATOM 0 HA LEU A 73 60.978 41.690 20.192 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.220 43.537 22.214 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.091 42.978 20.800 1.00 0.00 H new ATOM 0 HG LEU A 73 61.272 43.897 19.392 1.00 0.00 H new ATOM 0 HD11 LEU A 73 59.842 45.705 20.273 1.00 0.00 H new ATOM 0 HD12 LEU A 73 59.438 44.117 20.968 1.00 0.00 H new ATOM 0 HD13 LEU A 73 60.366 45.297 21.924 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.076 46.302 19.740 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.699 45.824 21.337 1.00 0.00 H new ATOM 0 HD23 LEU A 73 63.419 45.141 19.860 1.00 0.00 H new ATOM 1193 N ARG A 74 62.589 39.825 20.843 1.00 0.00 N ATOM 1194 CA ARG A 74 63.238 38.589 21.230 1.00 0.00 C ATOM 1195 C ARG A 74 64.560 38.834 21.961 1.00 0.00 C ATOM 1196 O ARG A 74 65.386 39.623 21.508 1.00 0.00 O ATOM 1197 CB ARG A 74 63.434 37.684 20.016 1.00 0.00 C ATOM 1198 CG ARG A 74 63.760 36.247 20.413 1.00 0.00 C ATOM 1199 CD ARG A 74 63.952 35.345 19.199 1.00 0.00 C ATOM 1200 NE ARG A 74 64.095 33.938 19.573 1.00 0.00 N ATOM 1201 CZ ARG A 74 65.202 33.278 19.941 1.00 0.00 C ATOM 1202 NH1 ARG A 74 66.385 33.879 20.130 1.00 0.00 N ATOM 1203 NH2 ARG A 74 65.132 31.953 20.126 1.00 0.00 N ATOM 0 H ARG A 74 62.488 39.936 19.834 1.00 0.00 H new ATOM 0 HA ARG A 74 62.581 38.081 21.936 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.530 37.694 19.408 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.239 38.079 19.397 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.666 36.236 21.019 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.956 35.852 21.034 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.100 35.456 18.528 1.00 0.00 H new ATOM 0 HD3 ARG A 74 64.836 35.664 18.648 1.00 0.00 H new ATOM 0 HE ARG A 74 63.238 33.385 19.551 1.00 0.00 H new ATOM 0 HH11 ARG A 74 66.473 34.886 19.994 1.00 0.00 H new ATOM 0 HH12 ARG A 74 67.197 33.329 20.410 1.00 0.00 H new ATOM 0 HH21 ARG A 74 64.247 31.465 19.987 1.00 0.00 H new ATOM 0 HH22 ARG A 74 65.963 31.433 20.406 1.00 0.00 H new ATOM 1217 N GLY A 75 64.777 38.130 23.069 1.00 0.00 N ATOM 1218 CA GLY A 75 66.073 38.031 23.709 1.00 0.00 C ATOM 1219 C GLY A 75 66.960 36.967 23.058 1.00 0.00 C ATOM 1220 O GLY A 75 66.512 35.840 22.860 1.00 0.00 O ATOM 0 H GLY A 75 64.044 37.608 23.549 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.574 38.998 23.662 1.00 0.00 H new ATOM 0 HA3 GLY A 75 65.938 37.793 24.764 1.00 0.00 H new ATOM 1224 N GLY A 76 68.204 37.321 22.751 1.00 0.00 N ATOM 1225 CA GLY A 76 69.211 36.445 22.187 1.00 0.00 C ATOM 1226 C GLY A 76 69.878 35.539 23.222 1.00 0.00 C ATOM 1227 O GLY A 76 69.870 34.304 23.031 1.00 0.00 O ATOM 1228 OXT GLY A 76 70.452 36.066 24.200 1.00 0.00 O ATOM 0 H GLY A 76 68.547 38.270 22.897 1.00 0.00 H new ATOM 0 HA2 GLY A 76 68.753 35.826 21.416 1.00 0.00 H new ATOM 0 HA3 GLY A 76 69.975 37.050 21.698 1.00 0.00 H new TER 1232 GLY A 76