USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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= 0.603 K(o=1.5,f=-0.89) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.861 K(o=1.5,f=-0.5) USER MOD Set 2.1: A 55 THR OG1 : rot -83:sc= 1.7 USER MOD Set 2.2: A 57 SER OG : rot -31:sc= 1.09 USER MOD Set 3.1: A 22 THR OG1 : rot -46:sc= 1.21 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.3 K(o=2.5,f=-4.6!) USER MOD Set 4.1: A 7 THR OG1 : rot 127:sc= 1.35 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.907 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0388) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.11 (180deg=2.06) 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+ 157:sc= 1.28 (180deg=1.15) 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 -93:sc= 0.0431 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 2.25 (180deg=1.69) USER MOD Single : A 29 LYS NZ :NH3+ -137:sc= 0.07 (180deg=-0.000693) USER MOD Single : A 31 GLN : amide:sc= -0.965 X(o=-0.97,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc=-0.00922 (180deg=-0.135) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 41 GLN : amide:sc= 1.02 K(o=1,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.719 K(o=0.72,f=-7.2!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.455 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 100:sc= 1.22 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 32.036 51.917 20.559 1.00 0.00 N ATOM 2 CA MET A 1 32.519 52.217 21.916 1.00 0.00 C ATOM 3 C MET A 1 34.007 52.569 21.886 1.00 0.00 C ATOM 4 O MET A 1 34.709 52.104 20.991 1.00 0.00 O ATOM 5 CB MET A 1 32.278 51.056 22.877 1.00 0.00 C ATOM 6 CG MET A 1 33.107 49.807 22.590 1.00 0.00 C ATOM 7 SD MET A 1 32.706 48.405 23.663 1.00 0.00 S ATOM 8 CE MET A 1 33.922 47.210 23.054 1.00 0.00 C ATOM 0 H1 MET A 1 31.037 51.631 20.601 1.00 0.00 H new ATOM 0 H2 MET A 1 32.128 52.764 19.963 1.00 0.00 H new ATOM 0 H3 MET A 1 32.601 51.144 20.152 1.00 0.00 H new ATOM 0 HA MET A 1 31.951 53.073 22.280 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.492 51.392 23.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.222 50.789 22.845 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.957 49.513 21.551 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.164 50.049 22.703 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.741 46.240 23.516 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.832 47.119 21.972 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.926 47.551 23.307 1.00 0.00 H new ATOM 20 N GLN A 2 34.514 53.286 22.885 1.00 0.00 N ATOM 21 CA GLN A 2 35.937 53.477 23.084 1.00 0.00 C ATOM 22 C GLN A 2 36.512 52.517 24.127 1.00 0.00 C ATOM 23 O GLN A 2 35.893 52.262 25.159 1.00 0.00 O ATOM 24 CB GLN A 2 36.290 54.926 23.408 1.00 0.00 C ATOM 25 CG GLN A 2 35.829 55.889 22.319 1.00 0.00 C ATOM 26 CD GLN A 2 36.707 57.135 22.187 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.304 57.385 21.141 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.823 57.977 23.210 1.00 0.00 N ATOM 0 H GLN A 2 33.937 53.754 23.584 1.00 0.00 H new ATOM 0 HA GLN A 2 36.409 53.238 22.131 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.832 55.206 24.356 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.369 55.015 23.537 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.814 55.363 21.364 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.805 56.198 22.529 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.335 57.786 24.085 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.400 58.813 23.119 1.00 0.00 H new ATOM 37 N ILE A 3 37.720 52.032 23.858 1.00 0.00 N ATOM 38 CA ILE A 3 38.579 51.321 24.783 1.00 0.00 C ATOM 39 C ILE A 3 39.944 52.009 24.859 1.00 0.00 C ATOM 40 O ILE A 3 40.261 52.859 24.030 1.00 0.00 O ATOM 41 CB ILE A 3 38.704 49.845 24.418 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.345 49.622 23.051 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.346 49.157 24.533 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.757 48.177 22.787 1.00 0.00 C ATOM 0 H ILE A 3 38.144 52.133 22.936 1.00 0.00 H new ATOM 0 HA ILE A 3 38.124 51.354 25.773 1.00 0.00 H new ATOM 0 HB ILE A 3 39.385 49.387 25.136 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.645 49.936 22.277 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.224 50.261 22.965 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.448 48.104 24.270 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.981 49.242 25.556 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.638 49.633 23.855 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.204 48.101 21.796 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.483 47.863 23.537 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.879 47.533 22.839 1.00 0.00 H new ATOM 56 N PHE A 4 40.770 51.613 25.824 1.00 0.00 N ATOM 57 CA PHE A 4 42.104 52.141 26.017 1.00 0.00 C ATOM 58 C PHE A 4 43.149 51.024 26.071 1.00 0.00 C ATOM 59 O PHE A 4 42.859 49.926 26.539 1.00 0.00 O ATOM 60 CB PHE A 4 42.162 52.999 27.279 1.00 0.00 C ATOM 61 CG PHE A 4 40.959 53.871 27.543 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.691 54.971 26.718 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.114 53.591 28.623 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.594 55.799 26.985 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.037 54.436 28.914 1.00 0.00 C ATOM 66 CZ PHE A 4 38.774 55.536 28.088 1.00 0.00 C ATOM 0 H PHE A 4 40.517 50.898 26.506 1.00 0.00 H new ATOM 0 HA PHE A 4 42.341 52.769 25.158 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.303 52.340 28.136 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.043 53.638 27.220 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.332 55.181 25.874 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.294 52.719 29.234 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.381 56.639 26.341 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.411 54.241 29.772 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.936 56.183 28.303 1.00 0.00 H new ATOM 76 N VAL A 5 44.375 51.306 25.638 1.00 0.00 N ATOM 77 CA VAL A 5 45.504 50.401 25.728 1.00 0.00 C ATOM 78 C VAL A 5 46.703 51.134 26.334 1.00 0.00 C ATOM 79 O VAL A 5 47.078 52.196 25.842 1.00 0.00 O ATOM 80 CB VAL A 5 45.859 49.800 24.372 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.959 48.754 24.531 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.668 49.126 23.697 1.00 0.00 C ATOM 0 H VAL A 5 44.611 52.198 25.203 1.00 0.00 H new ATOM 0 HA VAL A 5 45.226 49.571 26.378 1.00 0.00 H new ATOM 0 HB VAL A 5 46.190 50.630 23.748 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.204 48.332 23.556 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.847 49.221 24.957 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.613 47.960 25.193 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.978 48.716 22.736 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.297 48.321 24.332 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.876 49.858 23.540 1.00 0.00 H new ATOM 92 N LYS A 6 47.306 50.590 27.387 1.00 0.00 N ATOM 93 CA LYS A 6 48.416 51.183 28.106 1.00 0.00 C ATOM 94 C LYS A 6 49.751 50.519 27.763 1.00 0.00 C ATOM 95 O LYS A 6 49.897 49.315 27.963 1.00 0.00 O ATOM 96 CB LYS A 6 48.108 51.143 29.600 1.00 0.00 C ATOM 97 CG LYS A 6 49.086 51.991 30.409 1.00 0.00 C ATOM 98 CD LYS A 6 48.731 51.896 31.890 1.00 0.00 C ATOM 99 CE LYS A 6 49.640 52.791 32.729 1.00 0.00 C ATOM 100 NZ LYS A 6 49.408 52.576 34.166 1.00 0.00 N ATOM 0 H LYS A 6 47.020 49.690 27.773 1.00 0.00 H new ATOM 0 HA LYS A 6 48.530 52.222 27.797 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.092 51.500 29.770 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.147 50.112 29.951 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.107 51.645 30.245 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.044 53.029 30.079 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.691 52.187 32.038 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.823 50.863 32.224 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.683 52.583 32.490 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.458 53.836 32.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.037 53.195 34.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.418 52.797 34.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.605 51.583 34.405 1.00 0.00 H new ATOM 114 N THR A 7 50.730 51.289 27.295 1.00 0.00 N ATOM 115 CA THR A 7 52.052 50.799 26.962 1.00 0.00 C ATOM 116 C THR A 7 52.909 50.533 28.202 1.00 0.00 C ATOM 117 O THR A 7 52.658 51.099 29.264 1.00 0.00 O ATOM 118 CB THR A 7 52.806 51.737 26.025 1.00 0.00 C ATOM 119 OG1 THR A 7 53.190 52.918 26.691 1.00 0.00 O ATOM 120 CG2 THR A 7 52.013 52.120 24.779 1.00 0.00 C ATOM 0 H THR A 7 50.618 52.290 27.136 1.00 0.00 H new ATOM 0 HA THR A 7 51.880 49.854 26.446 1.00 0.00 H new ATOM 0 HB THR A 7 53.684 51.176 25.705 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.151 53.064 26.569 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.610 52.788 24.159 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.768 51.221 24.213 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.093 52.625 25.074 1.00 0.00 H new ATOM 128 N LEU A 8 53.982 49.759 28.064 1.00 0.00 N ATOM 129 CA LEU A 8 54.995 49.589 29.084 1.00 0.00 C ATOM 130 C LEU A 8 55.704 50.890 29.466 1.00 0.00 C ATOM 131 O LEU A 8 56.264 50.976 30.557 1.00 0.00 O ATOM 132 CB LEU A 8 56.012 48.542 28.636 1.00 0.00 C ATOM 133 CG LEU A 8 55.488 47.112 28.538 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.582 46.212 27.970 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.074 46.552 29.895 1.00 0.00 C ATOM 0 H LEU A 8 54.169 49.223 27.217 1.00 0.00 H new ATOM 0 HA LEU A 8 54.479 49.250 29.983 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.402 48.834 27.661 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.851 48.555 29.332 1.00 0.00 H new ATOM 0 HG LEU A 8 54.611 47.134 27.891 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.211 45.189 27.899 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.866 46.565 26.979 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.452 46.238 28.627 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.708 45.533 29.772 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.933 46.551 30.566 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.284 47.172 30.319 1.00 0.00 H new ATOM 147 N THR A 9 55.657 51.913 28.619 1.00 0.00 N ATOM 148 CA THR A 9 56.145 53.260 28.836 1.00 0.00 C ATOM 149 C THR A 9 55.122 54.231 29.431 1.00 0.00 C ATOM 150 O THR A 9 55.474 55.375 29.711 1.00 0.00 O ATOM 151 CB THR A 9 56.721 53.847 27.551 1.00 0.00 C ATOM 152 OG1 THR A 9 55.941 53.489 26.433 1.00 0.00 O ATOM 153 CG2 THR A 9 58.144 53.351 27.312 1.00 0.00 C ATOM 0 H THR A 9 55.243 51.808 27.693 1.00 0.00 H new ATOM 0 HA THR A 9 56.927 53.149 29.588 1.00 0.00 H new ATOM 0 HB THR A 9 56.719 54.930 27.672 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.331 53.880 25.623 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.530 53.785 26.390 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.778 53.649 28.147 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.141 52.264 27.229 1.00 0.00 H new ATOM 161 N GLY A 10 53.879 53.810 29.648 1.00 0.00 N ATOM 162 CA GLY A 10 52.851 54.607 30.286 1.00 0.00 C ATOM 163 C GLY A 10 52.078 55.563 29.375 1.00 0.00 C ATOM 164 O GLY A 10 51.428 56.481 29.870 1.00 0.00 O ATOM 0 H GLY A 10 53.557 52.881 29.376 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.138 53.932 30.759 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.314 55.191 31.082 1.00 0.00 H new ATOM 168 N LYS A 11 52.130 55.364 28.060 1.00 0.00 N ATOM 169 CA LYS A 11 51.251 56.019 27.113 1.00 0.00 C ATOM 170 C LYS A 11 49.897 55.305 27.129 1.00 0.00 C ATOM 171 O LYS A 11 49.867 54.078 27.065 1.00 0.00 O ATOM 172 CB LYS A 11 51.867 55.997 25.717 1.00 0.00 C ATOM 173 CG LYS A 11 53.121 56.857 25.587 1.00 0.00 C ATOM 174 CD LYS A 11 54.056 56.382 24.479 1.00 0.00 C ATOM 175 CE LYS A 11 53.369 56.267 23.122 1.00 0.00 C ATOM 176 NZ LYS A 11 54.288 55.729 22.107 1.00 0.00 N ATOM 0 H LYS A 11 52.799 54.730 27.622 1.00 0.00 H new ATOM 0 HA LYS A 11 51.110 57.063 27.393 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.114 54.968 25.454 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.125 56.341 24.996 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.829 57.889 25.391 1.00 0.00 H new ATOM 0 HG3 LYS A 11 53.658 56.852 26.535 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.894 57.075 24.397 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.470 55.412 24.753 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.496 55.620 23.207 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.010 57.247 22.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.739 55.301 21.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.876 56.499 21.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.899 55.007 22.540 1.00 0.00 H new ATOM 190 N THR A 12 48.798 56.053 27.165 1.00 0.00 N ATOM 191 CA THR A 12 47.449 55.528 27.099 1.00 0.00 C ATOM 192 C THR A 12 46.849 55.846 25.728 1.00 0.00 C ATOM 193 O THR A 12 46.477 56.984 25.450 1.00 0.00 O ATOM 194 CB THR A 12 46.590 56.073 28.236 1.00 0.00 C ATOM 195 OG1 THR A 12 47.165 55.769 29.487 1.00 0.00 O ATOM 196 CG2 THR A 12 45.198 55.447 28.252 1.00 0.00 C ATOM 0 H THR A 12 48.829 57.070 27.243 1.00 0.00 H new ATOM 0 HA THR A 12 47.477 54.445 27.222 1.00 0.00 H new ATOM 0 HB THR A 12 46.526 57.148 28.069 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.600 56.128 30.203 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.621 55.864 29.077 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.692 55.661 27.311 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.286 54.368 28.379 1.00 0.00 H new ATOM 204 N ILE A 13 46.780 54.836 24.866 1.00 0.00 N ATOM 205 CA ILE A 13 46.199 54.884 23.540 1.00 0.00 C ATOM 206 C ILE A 13 44.677 54.768 23.658 1.00 0.00 C ATOM 207 O ILE A 13 44.208 53.908 24.399 1.00 0.00 O ATOM 208 CB ILE A 13 46.744 53.758 22.667 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.228 53.438 22.817 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.422 54.010 21.197 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.207 54.576 22.539 1.00 0.00 C ATOM 0 H ILE A 13 47.150 53.913 25.093 1.00 0.00 H new ATOM 0 HA ILE A 13 46.463 55.831 23.070 1.00 0.00 H new ATOM 0 HB ILE A 13 46.228 52.873 23.040 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.398 53.083 23.834 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.467 52.612 22.147 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.820 53.195 20.592 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.341 54.065 21.066 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.874 54.950 20.881 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.228 54.220 22.680 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.082 54.921 21.513 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.012 55.400 23.225 1.00 0.00 H new ATOM 223 N THR A 14 43.905 55.560 22.919 1.00 0.00 N ATOM 224 CA THR A 14 42.457 55.502 22.881 1.00 0.00 C ATOM 225 C THR A 14 41.978 55.016 21.511 1.00 0.00 C ATOM 226 O THR A 14 42.396 55.586 20.506 1.00 0.00 O ATOM 227 CB THR A 14 41.850 56.868 23.187 1.00 0.00 C ATOM 228 OG1 THR A 14 42.279 57.372 24.433 1.00 0.00 O ATOM 229 CG2 THR A 14 40.325 56.846 23.243 1.00 0.00 C ATOM 0 H THR A 14 44.289 56.283 22.311 1.00 0.00 H new ATOM 0 HA THR A 14 42.128 54.797 23.644 1.00 0.00 H new ATOM 0 HB THR A 14 42.190 57.499 22.366 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.869 58.248 24.590 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.955 57.847 23.464 1.00 0.00 H new ATOM 0 HG22 THR A 14 39.930 56.517 22.282 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.999 56.158 24.023 1.00 0.00 H new ATOM 237 N LEU A 15 41.126 53.997 21.441 1.00 0.00 N ATOM 238 CA LEU A 15 40.630 53.449 20.195 1.00 0.00 C ATOM 239 C LEU A 15 39.112 53.257 20.192 1.00 0.00 C ATOM 240 O LEU A 15 38.556 52.711 21.142 1.00 0.00 O ATOM 241 CB LEU A 15 41.307 52.128 19.841 1.00 0.00 C ATOM 242 CG LEU A 15 42.829 52.138 19.731 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.497 51.744 21.046 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.307 51.132 18.689 1.00 0.00 C ATOM 0 H LEU A 15 40.758 53.525 22.267 1.00 0.00 H new ATOM 0 HA LEU A 15 40.880 54.191 19.437 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.026 51.391 20.594 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.901 51.783 18.890 1.00 0.00 H new ATOM 0 HG LEU A 15 43.101 53.157 19.455 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.580 51.764 20.924 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.207 52.447 21.827 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.182 50.739 21.327 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.395 51.159 18.630 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.984 50.131 18.974 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.884 51.386 17.717 1.00 0.00 H new ATOM 256 N GLU A 16 38.461 53.636 19.096 1.00 0.00 N ATOM 257 CA GLU A 16 37.070 53.348 18.805 1.00 0.00 C ATOM 258 C GLU A 16 36.924 51.973 18.150 1.00 0.00 C ATOM 259 O GLU A 16 37.589 51.649 17.169 1.00 0.00 O ATOM 260 CB GLU A 16 36.495 54.476 17.952 1.00 0.00 C ATOM 261 CG GLU A 16 35.022 54.358 17.570 1.00 0.00 C ATOM 262 CD GLU A 16 34.030 54.589 18.711 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.146 55.597 19.442 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.071 53.799 18.846 1.00 0.00 O ATOM 0 H GLU A 16 38.913 54.175 18.358 1.00 0.00 H new ATOM 0 HA GLU A 16 36.496 53.302 19.731 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.634 55.414 18.489 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.081 54.543 17.035 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.811 55.075 16.776 1.00 0.00 H new ATOM 0 HG3 GLU A 16 34.849 53.364 17.156 1.00 0.00 H new ATOM 271 N VAL A 17 36.053 51.141 18.716 1.00 0.00 N ATOM 272 CA VAL A 17 35.853 49.746 18.379 1.00 0.00 C ATOM 273 C VAL A 17 34.374 49.356 18.414 1.00 0.00 C ATOM 274 O VAL A 17 33.522 50.095 18.904 1.00 0.00 O ATOM 275 CB VAL A 17 36.660 48.844 19.309 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.164 49.090 19.242 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.234 48.970 20.769 1.00 0.00 C ATOM 0 H VAL A 17 35.434 51.448 19.466 1.00 0.00 H new ATOM 0 HA VAL A 17 36.207 49.608 17.357 1.00 0.00 H new ATOM 0 HB VAL A 17 36.446 47.840 18.944 1.00 0.00 H new ATOM 0 HG11 VAL A 17 38.674 48.414 19.928 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.517 48.910 18.227 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.377 50.121 19.523 1.00 0.00 H new ATOM 0 HG21 VAL A 17 36.842 48.306 21.384 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.372 49.999 21.101 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.184 48.695 20.867 1.00 0.00 H new ATOM 287 N GLU A 18 34.077 48.150 17.941 1.00 0.00 N ATOM 288 CA GLU A 18 32.884 47.399 18.275 1.00 0.00 C ATOM 289 C GLU A 18 33.261 46.122 19.029 1.00 0.00 C ATOM 290 O GLU A 18 34.351 45.600 18.806 1.00 0.00 O ATOM 291 CB GLU A 18 32.090 47.077 17.012 1.00 0.00 C ATOM 292 CG GLU A 18 30.993 48.095 16.714 1.00 0.00 C ATOM 293 CD GLU A 18 29.691 47.744 17.435 1.00 0.00 C ATOM 294 OE1 GLU A 18 28.884 46.968 16.878 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.451 48.236 18.560 1.00 0.00 O ATOM 0 H GLU A 18 34.687 47.655 17.290 1.00 0.00 H new ATOM 0 HA GLU A 18 32.252 48.005 18.925 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.773 47.030 16.164 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.641 46.089 17.115 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.323 49.088 17.020 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.815 48.136 15.639 1.00 0.00 H new ATOM 302 N PRO A 19 32.401 45.550 19.869 1.00 0.00 N ATOM 303 CA PRO A 19 32.703 44.337 20.601 1.00 0.00 C ATOM 304 C PRO A 19 33.015 43.119 19.730 1.00 0.00 C ATOM 305 O PRO A 19 33.620 42.163 20.209 1.00 0.00 O ATOM 306 CB PRO A 19 31.493 44.069 21.493 1.00 0.00 C ATOM 307 CG PRO A 19 30.837 45.437 21.651 1.00 0.00 C ATOM 308 CD PRO A 19 31.129 46.091 20.304 1.00 0.00 C ATOM 0 HA PRO A 19 33.622 44.492 21.167 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.812 43.351 21.036 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.792 43.656 22.457 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.767 45.356 21.841 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.266 46.001 22.479 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.343 45.869 19.583 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.177 47.176 20.398 1.00 0.00 H new ATOM 316 N SER A 20 32.611 43.141 18.462 1.00 0.00 N ATOM 317 CA SER A 20 32.884 42.139 17.453 1.00 0.00 C ATOM 318 C SER A 20 34.244 42.274 16.764 1.00 0.00 C ATOM 319 O SER A 20 34.602 41.431 15.945 1.00 0.00 O ATOM 320 CB SER A 20 31.753 42.165 16.428 1.00 0.00 C ATOM 321 OG SER A 20 31.532 43.481 15.971 1.00 0.00 O ATOM 0 H SER A 20 32.050 43.910 18.096 1.00 0.00 H new ATOM 0 HA SER A 20 32.933 41.178 17.965 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.002 41.518 15.587 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.840 41.770 16.874 1.00 0.00 H new ATOM 0 HG SER A 20 30.833 43.902 16.513 1.00 0.00 H new ATOM 327 N ASP A 21 35.025 43.305 17.076 1.00 0.00 N ATOM 328 CA ASP A 21 36.386 43.458 16.605 1.00 0.00 C ATOM 329 C ASP A 21 37.321 42.443 17.267 1.00 0.00 C ATOM 330 O ASP A 21 37.141 42.103 18.435 1.00 0.00 O ATOM 331 CB ASP A 21 36.876 44.889 16.813 1.00 0.00 C ATOM 332 CG ASP A 21 36.132 45.921 15.963 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.521 45.541 14.940 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.239 47.137 16.234 1.00 0.00 O ATOM 0 H ASP A 21 34.717 44.070 17.676 1.00 0.00 H new ATOM 0 HA ASP A 21 36.395 43.256 15.534 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.768 45.152 17.865 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.940 44.937 16.580 1.00 0.00 H new ATOM 339 N THR A 22 38.309 41.945 16.529 1.00 0.00 N ATOM 340 CA THR A 22 39.221 40.936 17.031 1.00 0.00 C ATOM 341 C THR A 22 40.445 41.520 17.737 1.00 0.00 C ATOM 342 O THR A 22 40.805 42.677 17.528 1.00 0.00 O ATOM 343 CB THR A 22 39.621 39.901 15.983 1.00 0.00 C ATOM 344 OG1 THR A 22 40.570 40.398 15.067 1.00 0.00 O ATOM 345 CG2 THR A 22 38.438 39.336 15.202 1.00 0.00 C ATOM 0 H THR A 22 38.495 42.233 15.568 1.00 0.00 H new ATOM 0 HA THR A 22 38.645 40.405 17.789 1.00 0.00 H new ATOM 0 HB THR A 22 40.066 39.093 16.564 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.292 41.285 14.757 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.797 38.607 14.475 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.745 38.852 15.890 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.926 40.145 14.682 1.00 0.00 H new ATOM 353 N ILE A 23 41.141 40.718 18.537 1.00 0.00 N ATOM 354 CA ILE A 23 42.371 41.149 19.169 1.00 0.00 C ATOM 355 C ILE A 23 43.434 41.480 18.120 1.00 0.00 C ATOM 356 O ILE A 23 44.171 42.448 18.290 1.00 0.00 O ATOM 357 CB ILE A 23 42.806 40.144 20.232 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.072 40.324 21.558 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.296 40.208 20.555 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.556 40.148 21.555 1.00 0.00 C ATOM 0 H ILE A 23 40.867 39.761 18.760 1.00 0.00 H new ATOM 0 HA ILE A 23 42.206 42.083 19.706 1.00 0.00 H new ATOM 0 HB ILE A 23 42.559 39.183 19.781 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.491 39.616 22.273 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.294 41.324 21.932 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.535 39.467 21.318 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.873 40.000 19.654 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.546 41.203 20.924 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.170 40.304 22.562 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.107 40.874 20.877 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.307 39.140 21.224 1.00 0.00 H new ATOM 372 N GLU A 24 43.468 40.784 16.987 1.00 0.00 N ATOM 373 CA GLU A 24 44.330 41.135 15.876 1.00 0.00 C ATOM 374 C GLU A 24 44.006 42.513 15.298 1.00 0.00 C ATOM 375 O GLU A 24 44.925 43.285 15.033 1.00 0.00 O ATOM 376 CB GLU A 24 44.290 40.046 14.808 1.00 0.00 C ATOM 377 CG GLU A 24 45.345 40.254 13.725 1.00 0.00 C ATOM 378 CD GLU A 24 45.365 39.111 12.707 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.393 38.961 11.935 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.360 38.357 12.651 1.00 0.00 O ATOM 0 H GLU A 24 42.894 39.958 16.819 1.00 0.00 H new ATOM 0 HA GLU A 24 45.349 41.202 16.257 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.442 39.074 15.278 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.301 40.027 14.349 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.152 41.194 13.209 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.327 40.341 14.190 1.00 0.00 H new ATOM 387 N ASN A 25 42.734 42.884 15.186 1.00 0.00 N ATOM 388 CA ASN A 25 42.331 44.207 14.755 1.00 0.00 C ATOM 389 C ASN A 25 42.821 45.329 15.672 1.00 0.00 C ATOM 390 O ASN A 25 43.001 46.453 15.206 1.00 0.00 O ATOM 391 CB ASN A 25 40.814 44.313 14.630 1.00 0.00 C ATOM 392 CG ASN A 25 40.199 43.480 13.504 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.529 42.477 13.739 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.399 43.903 12.258 1.00 0.00 N ATOM 0 H ASN A 25 41.951 42.265 15.395 1.00 0.00 H new ATOM 0 HA ASN A 25 42.804 44.339 13.782 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.364 44.008 15.575 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.549 45.359 14.474 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.993 43.392 11.474 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.959 44.738 12.087 1.00 0.00 H new ATOM 401 N VAL A 26 43.048 45.050 16.953 1.00 0.00 N ATOM 402 CA VAL A 26 43.622 45.999 17.886 1.00 0.00 C ATOM 403 C VAL A 26 45.142 46.045 17.723 1.00 0.00 C ATOM 404 O VAL A 26 45.690 47.131 17.548 1.00 0.00 O ATOM 405 CB VAL A 26 43.195 45.700 19.321 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.794 46.694 20.313 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.679 45.771 19.467 1.00 0.00 C ATOM 0 H VAL A 26 42.834 44.145 17.372 1.00 0.00 H new ATOM 0 HA VAL A 26 43.237 46.993 17.656 1.00 0.00 H new ATOM 0 HB VAL A 26 43.557 44.695 19.540 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.465 46.445 21.322 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.882 46.646 20.264 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.464 47.702 20.062 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.402 45.554 20.499 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.334 46.770 19.201 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.215 45.039 18.805 1.00 0.00 H new ATOM 417 N LYS A 27 45.821 44.902 17.695 1.00 0.00 N ATOM 418 CA LYS A 27 47.260 44.839 17.535 1.00 0.00 C ATOM 419 C LYS A 27 47.748 45.468 16.229 1.00 0.00 C ATOM 420 O LYS A 27 48.762 46.162 16.236 1.00 0.00 O ATOM 421 CB LYS A 27 47.756 43.400 17.646 1.00 0.00 C ATOM 422 CG LYS A 27 47.578 42.801 19.039 1.00 0.00 C ATOM 423 CD LYS A 27 48.196 41.407 19.104 1.00 0.00 C ATOM 424 CE LYS A 27 48.063 40.826 20.509 1.00 0.00 C ATOM 425 NZ LYS A 27 48.652 39.480 20.592 1.00 0.00 N ATOM 0 H LYS A 27 45.378 43.987 17.784 1.00 0.00 H new ATOM 0 HA LYS A 27 47.683 45.430 18.347 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.222 42.783 16.923 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.812 43.366 17.377 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.045 43.447 19.782 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.518 42.747 19.285 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.704 40.751 18.385 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.248 41.456 18.823 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.555 41.485 21.225 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.010 40.782 20.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.227 38.964 21.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.467 38.965 19.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.679 39.559 20.739 1.00 0.00 H new ATOM 439 N ALA A 28 47.015 45.289 15.134 1.00 0.00 N ATOM 440 CA ALA A 28 47.316 45.901 13.854 1.00 0.00 C ATOM 441 C ALA A 28 47.156 47.422 13.867 1.00 0.00 C ATOM 442 O ALA A 28 48.027 48.128 13.365 1.00 0.00 O ATOM 443 CB ALA A 28 46.451 45.234 12.789 1.00 0.00 C ATOM 0 H ALA A 28 46.181 44.703 15.116 1.00 0.00 H new ATOM 0 HA ALA A 28 48.369 45.739 13.623 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.662 45.680 11.817 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.674 44.168 12.755 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.398 45.377 13.033 1.00 0.00 H new ATOM 449 N LYS A 29 46.122 47.957 14.512 1.00 0.00 N ATOM 450 CA LYS A 29 45.955 49.386 14.679 1.00 0.00 C ATOM 451 C LYS A 29 47.022 50.001 15.587 1.00 0.00 C ATOM 452 O LYS A 29 47.476 51.111 15.318 1.00 0.00 O ATOM 453 CB LYS A 29 44.534 49.714 15.130 1.00 0.00 C ATOM 454 CG LYS A 29 43.583 49.750 13.938 1.00 0.00 C ATOM 455 CD LYS A 29 42.173 50.211 14.301 1.00 0.00 C ATOM 456 CE LYS A 29 41.282 49.134 14.911 1.00 0.00 C ATOM 457 NZ LYS A 29 40.789 48.190 13.896 1.00 0.00 N ATOM 0 H LYS A 29 45.376 47.403 14.933 1.00 0.00 H new ATOM 0 HA LYS A 29 46.104 49.852 13.705 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.195 48.969 15.849 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.522 50.677 15.640 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.991 50.416 13.177 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.529 48.755 13.495 1.00 0.00 H new ATOM 0 HD2 LYS A 29 42.248 51.041 15.004 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.690 50.596 13.403 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.840 48.589 15.672 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.435 49.604 15.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.782 47.994 14.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.907 48.605 12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.329 47.303 13.955 1.00 0.00 H new ATOM 471 N ILE A 30 47.490 49.279 16.601 1.00 0.00 N ATOM 472 CA ILE A 30 48.645 49.652 17.393 1.00 0.00 C ATOM 473 C ILE A 30 49.911 49.708 16.537 1.00 0.00 C ATOM 474 O ILE A 30 50.720 50.616 16.716 1.00 0.00 O ATOM 475 CB ILE A 30 48.797 48.739 18.607 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.658 48.976 19.595 1.00 0.00 C ATOM 477 CG2 ILE A 30 50.136 48.913 19.318 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.516 47.885 20.652 1.00 0.00 C ATOM 0 H ILE A 30 47.064 48.401 16.897 1.00 0.00 H new ATOM 0 HA ILE A 30 48.484 50.660 17.776 1.00 0.00 H new ATOM 0 HB ILE A 30 48.760 47.716 18.232 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.816 49.932 20.094 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.722 49.056 19.042 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.185 48.238 20.172 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.947 48.684 18.627 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.234 49.942 19.663 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.685 48.127 21.315 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.325 46.929 20.165 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.436 47.819 21.232 1.00 0.00 H new ATOM 490 N GLN A 31 50.094 48.817 15.567 1.00 0.00 N ATOM 491 CA GLN A 31 51.234 48.859 14.674 1.00 0.00 C ATOM 492 C GLN A 31 51.227 50.094 13.773 1.00 0.00 C ATOM 493 O GLN A 31 52.259 50.747 13.636 1.00 0.00 O ATOM 494 CB GLN A 31 51.286 47.583 13.840 1.00 0.00 C ATOM 495 CG GLN A 31 52.605 47.452 13.085 1.00 0.00 C ATOM 496 CD GLN A 31 52.642 46.229 12.166 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.624 45.701 11.725 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.835 45.704 11.901 1.00 0.00 N ATOM 0 H GLN A 31 49.452 48.047 15.383 1.00 0.00 H new ATOM 0 HA GLN A 31 52.131 48.927 15.290 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.152 46.718 14.490 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.459 47.579 13.130 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.770 48.352 12.492 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.424 47.388 13.801 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.679 46.144 12.268 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.906 44.861 11.331 1.00 0.00 H new ATOM 507 N ASP A 32 50.087 50.459 13.192 1.00 0.00 N ATOM 508 CA ASP A 32 49.989 51.633 12.348 1.00 0.00 C ATOM 509 C ASP A 32 50.214 52.947 13.097 1.00 0.00 C ATOM 510 O ASP A 32 50.716 53.909 12.518 1.00 0.00 O ATOM 511 CB ASP A 32 48.635 51.627 11.644 1.00 0.00 C ATOM 512 CG ASP A 32 48.557 52.684 10.541 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.699 53.589 10.621 1.00 0.00 O ATOM 514 OD2 ASP A 32 49.335 52.588 9.567 1.00 0.00 O ATOM 0 H ASP A 32 49.211 49.947 13.296 1.00 0.00 H new ATOM 0 HA ASP A 32 50.795 51.579 11.616 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.454 50.641 11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.846 51.806 12.374 1.00 0.00 H new ATOM 519 N LYS A 33 49.865 52.998 14.379 1.00 0.00 N ATOM 520 CA LYS A 33 50.039 54.153 15.237 1.00 0.00 C ATOM 521 C LYS A 33 51.419 54.252 15.889 1.00 0.00 C ATOM 522 O LYS A 33 51.977 55.344 15.969 1.00 0.00 O ATOM 523 CB LYS A 33 48.930 54.152 16.285 1.00 0.00 C ATOM 524 CG LYS A 33 47.574 54.476 15.664 1.00 0.00 C ATOM 525 CD LYS A 33 46.461 54.399 16.704 1.00 0.00 C ATOM 526 CE LYS A 33 45.095 54.779 16.140 1.00 0.00 C ATOM 527 NZ LYS A 33 45.056 56.171 15.664 1.00 0.00 N ATOM 0 H LYS A 33 49.439 52.206 14.860 1.00 0.00 H new ATOM 0 HA LYS A 33 49.972 55.040 14.607 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.886 53.176 16.769 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.160 54.882 17.061 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.600 55.475 15.228 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.366 53.779 14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.414 53.386 17.105 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.702 55.060 17.536 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.844 54.109 15.318 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.335 54.639 16.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.074 56.437 15.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.431 56.801 16.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.635 56.260 14.805 1.00 0.00 H new ATOM 541 N GLU A 34 51.971 53.136 16.358 1.00 0.00 N ATOM 542 CA GLU A 34 53.156 53.088 17.189 1.00 0.00 C ATOM 543 C GLU A 34 54.371 52.395 16.568 1.00 0.00 C ATOM 544 O GLU A 34 55.491 52.629 17.015 1.00 0.00 O ATOM 545 CB GLU A 34 52.830 52.419 18.522 1.00 0.00 C ATOM 546 CG GLU A 34 51.667 53.037 19.293 1.00 0.00 C ATOM 547 CD GLU A 34 51.838 54.541 19.515 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.958 55.000 19.829 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.855 55.297 19.362 1.00 0.00 O ATOM 0 H GLU A 34 51.587 52.212 16.159 1.00 0.00 H new ATOM 0 HA GLU A 34 53.445 54.131 17.318 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.605 51.369 18.337 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.719 52.449 19.152 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.740 52.857 18.749 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.572 52.540 20.258 1.00 0.00 H new ATOM 556 N GLY A 35 54.191 51.547 15.559 1.00 0.00 N ATOM 557 CA GLY A 35 55.251 50.773 14.948 1.00 0.00 C ATOM 558 C GLY A 35 55.651 49.494 15.687 1.00 0.00 C ATOM 559 O GLY A 35 56.697 48.921 15.398 1.00 0.00 O ATOM 0 H GLY A 35 53.277 51.380 15.138 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.944 50.505 13.937 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.132 51.408 14.856 1.00 0.00 H new ATOM 563 N ILE A 36 54.837 49.037 16.635 1.00 0.00 N ATOM 564 CA ILE A 36 55.094 47.857 17.436 1.00 0.00 C ATOM 565 C ILE A 36 54.606 46.620 16.680 1.00 0.00 C ATOM 566 O ILE A 36 53.408 46.526 16.426 1.00 0.00 O ATOM 567 CB ILE A 36 54.432 47.990 18.805 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.835 49.259 19.549 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.778 46.776 19.664 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.945 49.585 20.744 1.00 0.00 C ATOM 0 H ILE A 36 53.956 49.495 16.869 1.00 0.00 H new ATOM 0 HA ILE A 36 56.165 47.750 17.609 1.00 0.00 H new ATOM 0 HB ILE A 36 53.358 48.048 18.627 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.864 49.155 19.893 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.814 50.098 18.854 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.304 46.874 20.641 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.419 45.870 19.176 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.859 46.716 19.790 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.296 50.501 21.220 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.918 49.722 20.406 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.984 48.765 21.461 1.00 0.00 H new ATOM 582 N PRO A 37 55.456 45.660 16.323 1.00 0.00 N ATOM 583 CA PRO A 37 55.063 44.541 15.490 1.00 0.00 C ATOM 584 C PRO A 37 54.082 43.601 16.193 1.00 0.00 C ATOM 585 O PRO A 37 54.396 43.139 17.288 1.00 0.00 O ATOM 586 CB PRO A 37 56.355 43.824 15.110 1.00 0.00 C ATOM 587 CG PRO A 37 57.338 44.210 16.211 1.00 0.00 C ATOM 588 CD PRO A 37 56.879 45.613 16.593 1.00 0.00 C ATOM 0 HA PRO A 37 54.527 44.892 14.608 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.212 42.744 15.065 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.712 44.140 14.130 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.289 43.524 17.056 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.368 44.204 15.855 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.083 45.817 17.644 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.410 46.368 16.013 1.00 0.00 H new ATOM 596 N PRO A 38 52.931 43.265 15.618 1.00 0.00 N ATOM 597 CA PRO A 38 51.918 42.439 16.242 1.00 0.00 C ATOM 598 C PRO A 38 52.419 41.091 16.764 1.00 0.00 C ATOM 599 O PRO A 38 51.996 40.659 17.834 1.00 0.00 O ATOM 600 CB PRO A 38 50.827 42.240 15.194 1.00 0.00 C ATOM 601 CG PRO A 38 50.889 43.550 14.413 1.00 0.00 C ATOM 602 CD PRO A 38 52.388 43.832 14.400 1.00 0.00 C ATOM 0 HA PRO A 38 51.559 42.947 17.137 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.025 41.377 14.558 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.849 42.083 15.649 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.483 43.446 13.407 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.327 44.345 14.903 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.858 43.386 13.523 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.579 44.904 14.354 1.00 0.00 H new ATOM 610 N ASP A 39 53.371 40.455 16.085 1.00 0.00 N ATOM 611 CA ASP A 39 53.967 39.202 16.499 1.00 0.00 C ATOM 612 C ASP A 39 54.822 39.304 17.763 1.00 0.00 C ATOM 613 O ASP A 39 55.151 38.277 18.353 1.00 0.00 O ATOM 614 CB ASP A 39 54.753 38.617 15.329 1.00 0.00 C ATOM 615 CG ASP A 39 55.842 39.562 14.820 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.022 39.407 15.201 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.514 40.453 14.006 1.00 0.00 O ATOM 0 H ASP A 39 53.754 40.812 15.210 1.00 0.00 H new ATOM 0 HA ASP A 39 53.155 38.530 16.776 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.209 37.676 15.637 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.067 38.387 14.514 1.00 0.00 H new ATOM 622 N GLN A 40 55.125 40.512 18.229 1.00 0.00 N ATOM 623 CA GLN A 40 55.804 40.788 19.479 1.00 0.00 C ATOM 624 C GLN A 40 54.898 41.393 20.553 1.00 0.00 C ATOM 625 O GLN A 40 55.371 41.687 21.650 1.00 0.00 O ATOM 626 CB GLN A 40 57.024 41.659 19.192 1.00 0.00 C ATOM 627 CG GLN A 40 58.198 41.354 20.118 1.00 0.00 C ATOM 628 CD GLN A 40 59.347 42.356 20.000 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.179 43.525 19.661 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.579 41.955 20.303 1.00 0.00 N ATOM 0 H GLN A 40 54.890 41.362 17.716 1.00 0.00 H new ATOM 0 HA GLN A 40 56.124 39.838 19.906 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.335 41.512 18.158 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.748 42.708 19.296 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.843 41.341 21.149 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.574 40.355 19.897 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.746 40.990 20.587 1.00 0.00 H new ATOM 0 HE22 GLN A 40 61.357 42.613 20.251 1.00 0.00 H new ATOM 639 N GLN A 41 53.613 41.590 20.278 1.00 0.00 N ATOM 640 CA GLN A 41 52.645 42.149 21.201 1.00 0.00 C ATOM 641 C GLN A 41 51.892 41.062 21.969 1.00 0.00 C ATOM 642 O GLN A 41 51.284 40.184 21.360 1.00 0.00 O ATOM 643 CB GLN A 41 51.622 43.010 20.465 1.00 0.00 C ATOM 644 CG GLN A 41 52.131 44.281 19.791 1.00 0.00 C ATOM 645 CD GLN A 41 50.995 45.068 19.134 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.884 45.159 19.652 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.172 45.647 17.949 1.00 0.00 N ATOM 0 H GLN A 41 53.207 41.355 19.372 1.00 0.00 H new ATOM 0 HA GLN A 41 53.211 42.758 21.906 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.147 42.392 19.703 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.846 43.293 21.176 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.630 44.909 20.529 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.876 44.021 19.039 1.00 0.00 H new ATOM 0 HE21 GLN A 41 52.079 45.594 17.486 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.400 46.144 17.504 1.00 0.00 H new ATOM 656 N ARG A 42 51.815 41.188 23.290 1.00 0.00 N ATOM 657 CA ARG A 42 50.844 40.538 24.146 1.00 0.00 C ATOM 658 C ARG A 42 49.841 41.576 24.653 1.00 0.00 C ATOM 659 O ARG A 42 50.254 42.655 25.072 1.00 0.00 O ATOM 660 CB ARG A 42 51.525 39.861 25.333 1.00 0.00 C ATOM 661 CG ARG A 42 52.564 38.799 24.985 1.00 0.00 C ATOM 662 CD ARG A 42 53.136 38.220 26.276 1.00 0.00 C ATOM 663 NE ARG A 42 54.111 37.155 26.043 1.00 0.00 N ATOM 664 CZ ARG A 42 53.878 35.849 25.853 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.649 35.316 25.854 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.902 35.004 25.667 1.00 0.00 N ATOM 0 H ARG A 42 52.463 41.777 23.813 1.00 0.00 H new ATOM 0 HA ARG A 42 50.328 39.773 23.566 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.007 40.629 25.938 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.757 39.401 25.955 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.109 38.009 24.388 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.361 39.235 24.383 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.609 39.019 26.848 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.320 37.831 26.886 1.00 0.00 H new ATOM 0 HE ARG A 42 55.090 37.442 26.023 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.835 35.912 26.004 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.527 34.314 25.704 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.860 35.355 25.670 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.723 34.010 25.523 1.00 0.00 H new ATOM 680 N LEU A 43 48.547 41.268 24.655 1.00 0.00 N ATOM 681 CA LEU A 43 47.507 42.086 25.246 1.00 0.00 C ATOM 682 C LEU A 43 46.841 41.367 26.421 1.00 0.00 C ATOM 683 O LEU A 43 46.615 40.161 26.368 1.00 0.00 O ATOM 684 CB LEU A 43 46.487 42.513 24.194 1.00 0.00 C ATOM 685 CG LEU A 43 46.946 43.653 23.290 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.964 43.821 22.134 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.997 44.993 24.019 1.00 0.00 C ATOM 0 H LEU A 43 48.188 40.413 24.230 1.00 0.00 H new ATOM 0 HA LEU A 43 47.970 42.991 25.641 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.242 41.651 23.574 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.569 42.814 24.698 1.00 0.00 H new ATOM 0 HG LEU A 43 47.946 43.389 22.947 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.295 44.636 21.491 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.921 42.898 21.556 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.974 44.049 22.528 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.330 45.770 23.330 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.004 45.241 24.394 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.694 44.926 24.854 1.00 0.00 H new ATOM 699 N ILE A 44 46.556 42.114 27.483 1.00 0.00 N ATOM 700 CA ILE A 44 46.094 41.622 28.765 1.00 0.00 C ATOM 701 C ILE A 44 44.877 42.418 29.243 1.00 0.00 C ATOM 702 O ILE A 44 44.876 43.644 29.160 1.00 0.00 O ATOM 703 CB ILE A 44 47.225 41.639 29.789 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.524 41.054 29.243 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.828 40.920 31.076 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.660 40.878 30.248 1.00 0.00 C ATOM 0 H ILE A 44 46.648 43.130 27.466 1.00 0.00 H new ATOM 0 HA ILE A 44 45.778 40.585 28.648 1.00 0.00 H new ATOM 0 HB ILE A 44 47.407 42.690 30.015 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.303 40.082 28.802 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.877 41.697 28.437 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.658 40.952 31.782 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.960 41.412 31.514 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.582 39.882 30.852 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.529 40.455 29.744 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.923 41.847 30.673 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.340 40.206 31.045 1.00 0.00 H new ATOM 718 N PHE A 45 43.865 41.728 29.759 1.00 0.00 N ATOM 719 CA PHE A 45 42.719 42.296 30.441 1.00 0.00 C ATOM 720 C PHE A 45 42.249 41.377 31.571 1.00 0.00 C ATOM 721 O PHE A 45 42.310 40.157 31.439 1.00 0.00 O ATOM 722 CB PHE A 45 41.593 42.560 29.446 1.00 0.00 C ATOM 723 CG PHE A 45 40.350 43.197 30.022 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.408 44.491 30.554 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.133 42.506 30.013 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.257 45.085 31.085 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.978 43.102 30.532 1.00 0.00 C ATOM 728 CZ PHE A 45 38.040 44.392 31.071 1.00 0.00 C ATOM 0 H PHE A 45 43.825 40.710 29.708 1.00 0.00 H new ATOM 0 HA PHE A 45 43.014 43.246 30.887 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.976 43.203 28.654 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.313 41.614 28.982 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.343 45.032 30.555 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.085 41.508 29.603 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.307 46.078 31.506 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.040 42.567 30.517 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.151 44.852 31.476 1.00 0.00 H new ATOM 738 N ALA A 46 41.799 41.940 32.689 1.00 0.00 N ATOM 739 CA ALA A 46 41.498 41.219 33.909 1.00 0.00 C ATOM 740 C ALA A 46 42.652 40.335 34.384 1.00 0.00 C ATOM 741 O ALA A 46 42.453 39.225 34.873 1.00 0.00 O ATOM 742 CB ALA A 46 40.149 40.517 33.781 1.00 0.00 C ATOM 0 H ALA A 46 41.631 42.943 32.767 1.00 0.00 H new ATOM 0 HA ALA A 46 41.394 41.935 34.724 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.931 39.977 34.703 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.369 41.257 33.600 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.182 39.814 32.948 1.00 0.00 H new ATOM 748 N GLY A 47 43.887 40.793 34.198 1.00 0.00 N ATOM 749 CA GLY A 47 45.114 40.102 34.538 1.00 0.00 C ATOM 750 C GLY A 47 45.494 38.930 33.630 1.00 0.00 C ATOM 751 O GLY A 47 46.541 38.327 33.854 1.00 0.00 O ATOM 0 H GLY A 47 44.061 41.708 33.782 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.930 40.824 34.527 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.029 39.732 35.560 1.00 0.00 H new ATOM 755 N LYS A 48 44.680 38.609 32.628 1.00 0.00 N ATOM 756 CA LYS A 48 44.774 37.428 31.795 1.00 0.00 C ATOM 757 C LYS A 48 45.030 37.805 30.333 1.00 0.00 C ATOM 758 O LYS A 48 44.526 38.818 29.855 1.00 0.00 O ATOM 759 CB LYS A 48 43.500 36.605 31.964 1.00 0.00 C ATOM 760 CG LYS A 48 43.246 36.112 33.386 1.00 0.00 C ATOM 761 CD LYS A 48 41.871 35.486 33.598 1.00 0.00 C ATOM 762 CE LYS A 48 40.717 36.472 33.448 1.00 0.00 C ATOM 763 NZ LYS A 48 39.435 35.867 33.840 1.00 0.00 N ATOM 0 H LYS A 48 43.894 39.205 32.366 1.00 0.00 H new ATOM 0 HA LYS A 48 45.624 36.822 32.107 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.649 37.207 31.645 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.549 35.743 31.298 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.010 35.379 33.646 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.361 36.949 34.074 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.738 34.673 32.884 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.833 35.044 34.594 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.908 37.352 34.062 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.659 36.811 32.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.672 36.565 33.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.242 35.042 33.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.483 35.566 34.834 1.00 0.00 H new ATOM 777 N GLN A 49 45.841 37.027 29.621 1.00 0.00 N ATOM 778 CA GLN A 49 46.230 37.297 28.252 1.00 0.00 C ATOM 779 C GLN A 49 45.092 37.018 27.269 1.00 0.00 C ATOM 780 O GLN A 49 44.246 36.166 27.532 1.00 0.00 O ATOM 781 CB GLN A 49 47.479 36.509 27.864 1.00 0.00 C ATOM 782 CG GLN A 49 48.683 36.788 28.759 1.00 0.00 C ATOM 783 CD GLN A 49 49.991 36.247 28.180 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.280 36.356 26.991 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.871 35.673 28.996 1.00 0.00 N ATOM 0 H GLN A 49 46.253 36.172 29.995 1.00 0.00 H new ATOM 0 HA GLN A 49 46.464 38.360 28.194 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.251 35.444 27.898 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.741 36.746 26.833 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.776 37.863 28.911 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.513 36.342 29.739 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.655 35.570 29.988 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.761 35.336 28.630 1.00 0.00 H new ATOM 794 N LEU A 50 45.076 37.709 26.133 1.00 0.00 N ATOM 795 CA LEU A 50 44.006 37.671 25.157 1.00 0.00 C ATOM 796 C LEU A 50 44.472 37.093 23.820 1.00 0.00 C ATOM 797 O LEU A 50 45.477 37.535 23.267 1.00 0.00 O ATOM 798 CB LEU A 50 43.426 39.070 24.974 1.00 0.00 C ATOM 799 CG LEU A 50 43.135 39.873 26.239 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.662 41.270 25.848 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.080 39.214 27.123 1.00 0.00 C ATOM 0 H LEU A 50 45.838 38.331 25.863 1.00 0.00 H new ATOM 0 HA LEU A 50 43.228 37.007 25.533 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.118 39.646 24.360 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.498 38.980 24.409 1.00 0.00 H new ATOM 0 HG LEU A 50 44.059 39.921 26.815 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.453 41.848 26.748 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.439 41.769 25.269 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.756 41.192 25.247 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.912 39.827 28.008 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.148 39.117 26.567 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.425 38.226 27.427 1.00 0.00 H new ATOM 813 N GLU A 51 43.734 36.127 23.279 1.00 0.00 N ATOM 814 CA GLU A 51 44.051 35.438 22.045 1.00 0.00 C ATOM 815 C GLU A 51 43.593 36.190 20.793 1.00 0.00 C ATOM 816 O GLU A 51 42.456 36.647 20.704 1.00 0.00 O ATOM 817 CB GLU A 51 43.462 34.031 22.082 1.00 0.00 C ATOM 818 CG GLU A 51 44.241 33.095 23.001 1.00 0.00 C ATOM 819 CD GLU A 51 43.525 31.757 23.192 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.117 31.459 24.335 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.386 30.983 22.221 1.00 0.00 O ATOM 0 H GLU A 51 42.870 35.796 23.708 1.00 0.00 H new ATOM 0 HA GLU A 51 45.137 35.384 21.975 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.426 34.083 22.416 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.451 33.618 21.073 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.233 32.920 22.584 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.382 33.573 23.970 1.00 0.00 H new ATOM 828 N ASP A 52 44.461 36.265 19.788 1.00 0.00 N ATOM 829 CA ASP A 52 44.300 37.036 18.572 1.00 0.00 C ATOM 830 C ASP A 52 43.069 36.672 17.738 1.00 0.00 C ATOM 831 O ASP A 52 42.459 37.539 17.119 1.00 0.00 O ATOM 832 CB ASP A 52 45.539 36.879 17.697 1.00 0.00 C ATOM 833 CG ASP A 52 46.833 37.144 18.472 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.280 38.310 18.539 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.407 36.177 19.018 1.00 0.00 O ATOM 0 H ASP A 52 45.345 35.757 19.808 1.00 0.00 H new ATOM 0 HA ASP A 52 44.159 38.065 18.901 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.565 35.870 17.285 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.475 37.567 16.854 1.00 0.00 H new ATOM 840 N GLY A 53 42.695 35.395 17.741 1.00 0.00 N ATOM 841 CA GLY A 53 41.557 34.857 17.024 1.00 0.00 C ATOM 842 C GLY A 53 40.192 35.144 17.653 1.00 0.00 C ATOM 843 O GLY A 53 39.185 34.747 17.070 1.00 0.00 O ATOM 0 H GLY A 53 43.202 34.683 18.267 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.564 35.259 16.011 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.680 33.777 16.939 1.00 0.00 H new ATOM 847 N ARG A 54 40.126 35.776 18.821 1.00 0.00 N ATOM 848 CA ARG A 54 38.895 36.063 19.530 1.00 0.00 C ATOM 849 C ARG A 54 38.448 37.516 19.358 1.00 0.00 C ATOM 850 O ARG A 54 39.239 38.367 18.956 1.00 0.00 O ATOM 851 CB ARG A 54 39.024 35.709 21.009 1.00 0.00 C ATOM 852 CG ARG A 54 39.609 34.339 21.338 1.00 0.00 C ATOM 853 CD ARG A 54 38.979 33.144 20.628 1.00 0.00 C ATOM 854 NE ARG A 54 37.523 33.081 20.757 1.00 0.00 N ATOM 855 CZ ARG A 54 36.823 32.621 21.803 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.383 32.253 22.964 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.488 32.516 21.741 1.00 0.00 N ATOM 0 H ARG A 54 40.956 36.110 19.310 1.00 0.00 H new ATOM 0 HA ARG A 54 38.121 35.436 19.087 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.644 36.467 21.487 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.035 35.774 21.462 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.673 34.356 21.100 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.525 34.181 22.413 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.239 33.183 19.570 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.410 32.227 21.029 1.00 0.00 H new ATOM 0 HE ARG A 54 36.981 33.425 19.964 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.394 32.316 23.085 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.798 31.910 23.726 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.994 32.788 20.891 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.966 32.164 22.544 1.00 0.00 H new ATOM 871 N THR A 55 37.199 37.811 19.707 1.00 0.00 N ATOM 872 CA THR A 55 36.668 39.158 19.762 1.00 0.00 C ATOM 873 C THR A 55 36.812 39.793 21.147 1.00 0.00 C ATOM 874 O THR A 55 36.948 39.098 22.153 1.00 0.00 O ATOM 875 CB THR A 55 35.215 39.265 19.310 1.00 0.00 C ATOM 876 OG1 THR A 55 34.346 38.733 20.285 1.00 0.00 O ATOM 877 CG2 THR A 55 34.902 38.572 17.987 1.00 0.00 C ATOM 0 H THR A 55 36.516 37.098 19.965 1.00 0.00 H new ATOM 0 HA THR A 55 37.281 39.712 19.051 1.00 0.00 H new ATOM 0 HB THR A 55 35.059 40.334 19.167 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.289 37.761 20.177 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.846 38.702 17.749 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.510 39.009 17.195 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.126 37.509 18.071 1.00 0.00 H new ATOM 885 N LEU A 56 36.692 41.115 21.211 1.00 0.00 N ATOM 886 CA LEU A 56 36.586 41.854 22.453 1.00 0.00 C ATOM 887 C LEU A 56 35.425 41.363 23.320 1.00 0.00 C ATOM 888 O LEU A 56 35.578 41.226 24.532 1.00 0.00 O ATOM 889 CB LEU A 56 36.450 43.340 22.134 1.00 0.00 C ATOM 890 CG LEU A 56 37.646 43.986 21.440 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.318 45.446 21.143 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.926 43.953 22.271 1.00 0.00 C ATOM 0 H LEU A 56 36.666 41.709 20.382 1.00 0.00 H new ATOM 0 HA LEU A 56 37.491 41.687 23.037 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.571 43.477 21.504 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.262 43.876 23.064 1.00 0.00 H new ATOM 0 HG LEU A 56 37.826 43.409 20.533 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.167 45.916 20.647 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.444 45.498 20.494 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.108 45.969 22.076 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.733 44.429 21.715 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.766 44.487 23.207 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.194 42.918 22.485 1.00 0.00 H new ATOM 904 N SER A 57 34.287 41.025 22.720 1.00 0.00 N ATOM 905 CA SER A 57 33.134 40.483 23.409 1.00 0.00 C ATOM 906 C SER A 57 33.372 39.104 24.028 1.00 0.00 C ATOM 907 O SER A 57 32.811 38.812 25.081 1.00 0.00 O ATOM 908 CB SER A 57 31.909 40.459 22.500 1.00 0.00 C ATOM 909 OG SER A 57 31.977 39.492 21.475 1.00 0.00 O ATOM 0 H SER A 57 34.144 41.126 21.715 1.00 0.00 H new ATOM 0 HA SER A 57 32.948 41.161 24.242 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.023 40.270 23.106 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.784 41.444 22.050 1.00 0.00 H new ATOM 0 HG SER A 57 32.911 39.364 21.207 1.00 0.00 H new ATOM 915 N ASP A 58 34.238 38.273 23.455 1.00 0.00 N ATOM 916 CA ASP A 58 34.564 36.969 23.996 1.00 0.00 C ATOM 917 C ASP A 58 35.364 37.043 25.298 1.00 0.00 C ATOM 918 O ASP A 58 35.406 36.071 26.050 1.00 0.00 O ATOM 919 CB ASP A 58 35.313 36.133 22.963 1.00 0.00 C ATOM 920 CG ASP A 58 34.503 35.917 21.683 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.018 36.198 20.578 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.319 35.524 21.755 1.00 0.00 O ATOM 0 H ASP A 58 34.736 38.494 22.592 1.00 0.00 H new ATOM 0 HA ASP A 58 33.616 36.488 24.236 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.253 36.625 22.715 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.565 35.165 23.397 1.00 0.00 H new ATOM 927 N TYR A 59 35.976 38.191 25.576 1.00 0.00 N ATOM 928 CA TYR A 59 36.646 38.527 26.815 1.00 0.00 C ATOM 929 C TYR A 59 35.906 39.577 27.648 1.00 0.00 C ATOM 930 O TYR A 59 36.489 40.133 28.575 1.00 0.00 O ATOM 931 CB TYR A 59 38.092 38.911 26.512 1.00 0.00 C ATOM 932 CG TYR A 59 38.957 37.767 26.042 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.323 36.767 26.950 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.458 37.742 24.735 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.187 35.738 26.556 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.356 36.743 24.343 1.00 0.00 C ATOM 937 CZ TYR A 59 40.723 35.730 25.252 1.00 0.00 C ATOM 938 OH TYR A 59 41.598 34.754 24.876 1.00 0.00 O ATOM 0 H TYR A 59 36.016 38.952 24.898 1.00 0.00 H new ATOM 0 HA TYR A 59 36.644 37.644 27.454 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.096 39.690 25.750 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.536 39.341 27.410 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.938 36.789 27.959 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.150 38.497 24.026 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.443 34.951 27.250 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.768 36.748 23.345 1.00 0.00 H new ATOM 0 HH TYR A 59 41.402 33.931 25.371 1.00 0.00 H new ATOM 948 N ASN A 60 34.634 39.840 27.361 1.00 0.00 N ATOM 949 CA ASN A 60 33.792 40.773 28.081 1.00 0.00 C ATOM 950 C ASN A 60 34.358 42.191 28.187 1.00 0.00 C ATOM 951 O ASN A 60 34.184 42.878 29.191 1.00 0.00 O ATOM 952 CB ASN A 60 33.379 40.156 29.413 1.00 0.00 C ATOM 953 CG ASN A 60 32.203 40.867 30.088 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.425 41.594 29.475 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.017 40.639 31.385 1.00 0.00 N ATOM 0 H ASN A 60 34.148 39.387 26.587 1.00 0.00 H new ATOM 0 HA ASN A 60 32.890 40.935 27.490 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.115 39.111 29.252 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.234 40.168 30.089 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.229 41.068 31.870 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.663 40.036 31.894 1.00 0.00 H new ATOM 962 N ILE A 61 35.052 42.662 27.154 1.00 0.00 N ATOM 963 CA ILE A 61 35.582 44.010 27.094 1.00 0.00 C ATOM 964 C ILE A 61 34.464 44.957 26.654 1.00 0.00 C ATOM 965 O ILE A 61 33.850 44.763 25.607 1.00 0.00 O ATOM 966 CB ILE A 61 36.815 44.040 26.194 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.960 43.251 26.821 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.265 45.470 25.909 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.027 42.817 25.821 1.00 0.00 C ATOM 0 H ILE A 61 35.262 42.105 26.326 1.00 0.00 H new ATOM 0 HA ILE A 61 35.920 44.351 28.073 1.00 0.00 H new ATOM 0 HB ILE A 61 36.538 43.575 25.248 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.427 43.859 27.596 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.554 42.367 27.312 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.145 45.453 25.266 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.461 46.012 25.411 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.511 45.968 26.847 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.808 42.261 26.340 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.575 42.182 25.059 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.462 43.697 25.348 1.00 0.00 H new ATOM 981 N GLN A 62 34.183 45.966 27.473 1.00 0.00 N ATOM 982 CA GLN A 62 33.119 46.935 27.310 1.00 0.00 C ATOM 983 C GLN A 62 33.672 48.352 27.154 1.00 0.00 C ATOM 984 O GLN A 62 34.885 48.541 27.209 1.00 0.00 O ATOM 985 CB GLN A 62 32.172 46.825 28.503 1.00 0.00 C ATOM 986 CG GLN A 62 31.541 45.446 28.663 1.00 0.00 C ATOM 987 CD GLN A 62 30.598 45.335 29.863 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.093 46.319 30.399 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.317 44.125 30.338 1.00 0.00 N ATOM 0 H GLN A 62 34.729 46.134 28.318 1.00 0.00 H new ATOM 0 HA GLN A 62 32.568 46.720 26.394 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.719 47.072 29.413 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.380 47.566 28.396 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.989 45.201 27.755 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.333 44.704 28.765 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.728 43.299 29.904 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.690 44.023 31.136 1.00 0.00 H new ATOM 998 N LYS A 63 32.826 49.366 27.001 1.00 0.00 N ATOM 999 CA LYS A 63 33.257 50.748 26.934 1.00 0.00 C ATOM 1000 C LYS A 63 34.106 51.157 28.140 1.00 0.00 C ATOM 1001 O LYS A 63 33.880 50.686 29.252 1.00 0.00 O ATOM 1002 CB LYS A 63 32.097 51.709 26.687 1.00 0.00 C ATOM 1003 CG LYS A 63 31.327 52.237 27.895 1.00 0.00 C ATOM 1004 CD LYS A 63 30.361 51.254 28.549 1.00 0.00 C ATOM 1005 CE LYS A 63 29.752 51.925 29.777 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.598 51.186 30.313 1.00 0.00 N ATOM 0 H LYS A 63 31.816 49.245 26.920 1.00 0.00 H new ATOM 0 HA LYS A 63 33.908 50.822 26.063 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.487 52.567 26.140 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.385 51.209 26.031 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.046 52.564 28.646 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.765 53.119 27.587 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.579 50.966 27.847 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.884 50.341 28.835 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.513 52.015 30.552 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.441 52.937 29.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.223 51.684 31.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.858 51.122 29.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.896 50.228 30.588 1.00 0.00 H new ATOM 1020 N GLU A 64 35.074 52.041 27.915 1.00 0.00 N ATOM 1021 CA GLU A 64 35.992 52.558 28.909 1.00 0.00 C ATOM 1022 C GLU A 64 36.843 51.501 29.617 1.00 0.00 C ATOM 1023 O GLU A 64 37.300 51.719 30.737 1.00 0.00 O ATOM 1024 CB GLU A 64 35.295 53.512 29.876 1.00 0.00 C ATOM 1025 CG GLU A 64 34.631 54.723 29.229 1.00 0.00 C ATOM 1026 CD GLU A 64 34.072 55.704 30.261 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.573 55.279 31.325 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.084 56.927 30.002 1.00 0.00 O ATOM 0 H GLU A 64 35.242 52.431 26.988 1.00 0.00 H new ATOM 0 HA GLU A 64 36.725 53.138 28.347 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.538 52.955 30.428 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.026 53.864 30.604 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.356 55.238 28.599 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.824 54.387 28.578 1.00 0.00 H new ATOM 1035 N SER A 65 37.091 50.352 28.993 1.00 0.00 N ATOM 1036 CA SER A 65 38.021 49.353 29.479 1.00 0.00 C ATOM 1037 C SER A 65 39.467 49.712 29.134 1.00 0.00 C ATOM 1038 O SER A 65 39.732 50.090 27.995 1.00 0.00 O ATOM 1039 CB SER A 65 37.734 47.976 28.887 1.00 0.00 C ATOM 1040 OG SER A 65 36.404 47.570 29.118 1.00 0.00 O ATOM 0 H SER A 65 36.638 50.090 28.117 1.00 0.00 H new ATOM 0 HA SER A 65 37.889 49.328 30.561 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.926 47.995 27.814 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.417 47.245 29.320 1.00 0.00 H new ATOM 0 HG SER A 65 35.869 47.730 28.313 1.00 0.00 H new ATOM 1046 N THR A 66 40.408 49.521 30.055 1.00 0.00 N ATOM 1047 CA THR A 66 41.832 49.633 29.813 1.00 0.00 C ATOM 1048 C THR A 66 42.475 48.248 29.712 1.00 0.00 C ATOM 1049 O THR A 66 42.405 47.450 30.643 1.00 0.00 O ATOM 1050 CB THR A 66 42.540 50.471 30.874 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.055 51.795 30.850 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.043 50.593 30.634 1.00 0.00 C ATOM 0 H THR A 66 40.186 49.276 31.020 1.00 0.00 H new ATOM 0 HA THR A 66 41.950 50.151 28.861 1.00 0.00 H new ATOM 0 HB THR A 66 42.348 49.961 31.818 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.514 52.324 31.535 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.489 51.200 31.422 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.494 49.601 30.641 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.220 51.065 29.668 1.00 0.00 H new ATOM 1060 N LEU A 67 43.154 47.993 28.597 1.00 0.00 N ATOM 1061 CA LEU A 67 44.000 46.840 28.359 1.00 0.00 C ATOM 1062 C LEU A 67 45.457 47.212 28.645 1.00 0.00 C ATOM 1063 O LEU A 67 45.863 48.353 28.439 1.00 0.00 O ATOM 1064 CB LEU A 67 43.840 46.379 26.913 1.00 0.00 C ATOM 1065 CG LEU A 67 42.626 45.512 26.590 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.284 46.126 26.976 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.595 45.231 25.091 1.00 0.00 C ATOM 0 H LEU A 67 43.123 48.623 27.795 1.00 0.00 H new ATOM 0 HA LEU A 67 43.708 46.024 29.020 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.802 47.264 26.278 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.736 45.824 26.634 1.00 0.00 H new ATOM 0 HG LEU A 67 42.746 44.607 27.186 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.480 45.440 26.709 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.263 46.309 28.050 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.149 47.068 26.445 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.730 44.612 24.855 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.527 46.172 24.546 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.506 44.708 24.800 1.00 0.00 H new ATOM 1079 N HIS A 68 46.275 46.241 29.044 1.00 0.00 N ATOM 1080 CA HIS A 68 47.711 46.401 29.154 1.00 0.00 C ATOM 1081 C HIS A 68 48.409 45.737 27.965 1.00 0.00 C ATOM 1082 O HIS A 68 48.098 44.600 27.617 1.00 0.00 O ATOM 1083 CB HIS A 68 48.212 45.865 30.490 1.00 0.00 C ATOM 1084 CG HIS A 68 47.747 46.636 31.694 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.670 46.298 32.513 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.365 47.741 32.222 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.658 47.193 33.504 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.670 48.066 33.370 1.00 0.00 N ATOM 0 H HIS A 68 45.948 45.310 29.302 1.00 0.00 H new ATOM 0 HA HIS A 68 47.955 47.463 29.126 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.890 44.829 30.593 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.302 45.861 30.478 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.225 48.255 31.819 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.933 47.212 34.304 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.887 48.834 34.005 1.00 0.00 H new ATOM 1096 N LEU A 69 49.357 46.441 27.352 1.00 0.00 N ATOM 1097 CA LEU A 69 50.228 45.953 26.302 1.00 0.00 C ATOM 1098 C LEU A 69 51.573 45.533 26.899 1.00 0.00 C ATOM 1099 O LEU A 69 52.128 46.257 27.724 1.00 0.00 O ATOM 1100 CB LEU A 69 50.359 47.053 25.251 1.00 0.00 C ATOM 1101 CG LEU A 69 51.209 46.728 24.026 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.566 45.661 23.144 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.376 47.977 23.166 1.00 0.00 C ATOM 0 H LEU A 69 49.543 47.415 27.591 1.00 0.00 H new ATOM 0 HA LEU A 69 49.816 45.067 25.819 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.359 47.320 24.911 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.778 47.936 25.732 1.00 0.00 H new ATOM 0 HG LEU A 69 52.165 46.362 24.399 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.208 45.464 22.285 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.436 44.744 23.718 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.594 46.013 22.798 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.984 47.739 22.293 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.397 48.329 22.842 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.867 48.757 23.748 1.00 0.00 H new ATOM 1115 N VAL A 70 52.079 44.366 26.513 1.00 0.00 N ATOM 1116 CA VAL A 70 53.267 43.744 27.062 1.00 0.00 C ATOM 1117 C VAL A 70 54.101 43.104 25.950 1.00 0.00 C ATOM 1118 O VAL A 70 53.572 42.654 24.936 1.00 0.00 O ATOM 1119 CB VAL A 70 52.893 42.749 28.156 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.097 42.058 28.789 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.130 43.406 29.302 1.00 0.00 C ATOM 0 H VAL A 70 51.649 43.808 25.776 1.00 0.00 H new ATOM 0 HA VAL A 70 53.888 44.510 27.526 1.00 0.00 H new ATOM 0 HB VAL A 70 52.274 42.018 27.636 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.756 41.365 29.558 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.646 41.509 28.023 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.751 42.805 29.238 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.887 42.656 30.055 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.747 44.184 29.751 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.210 43.848 28.920 1.00 0.00 H new ATOM 1131 N LEU A 71 55.416 43.037 26.136 1.00 0.00 N ATOM 1132 CA LEU A 71 56.385 42.465 25.224 1.00 0.00 C ATOM 1133 C LEU A 71 56.347 40.936 25.203 1.00 0.00 C ATOM 1134 O LEU A 71 56.185 40.316 26.253 1.00 0.00 O ATOM 1135 CB LEU A 71 57.742 43.007 25.662 1.00 0.00 C ATOM 1136 CG LEU A 71 58.943 42.623 24.803 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.864 43.230 23.406 1.00 0.00 C ATOM 1138 CD2 LEU A 71 60.232 43.118 25.455 1.00 0.00 C ATOM 0 H LEU A 71 55.854 43.405 26.981 1.00 0.00 H new ATOM 0 HA LEU A 71 56.162 42.749 24.196 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.680 44.095 25.693 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.931 42.669 26.681 1.00 0.00 H new ATOM 0 HG LEU A 71 58.937 41.536 24.720 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.739 42.931 22.829 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.962 42.877 22.906 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.835 44.317 23.483 1.00 0.00 H new ATOM 0 HD21 LEU A 71 61.084 42.839 24.835 1.00 0.00 H new ATOM 0 HD22 LEU A 71 60.196 44.203 25.555 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.338 42.666 26.441 1.00 0.00 H new ATOM 1150 N ARG A 72 56.583 40.312 24.053 1.00 0.00 N ATOM 1151 CA ARG A 72 56.897 38.906 23.896 1.00 0.00 C ATOM 1152 C ARG A 72 58.403 38.691 23.729 1.00 0.00 C ATOM 1153 O ARG A 72 59.038 39.438 22.988 1.00 0.00 O ATOM 1154 CB ARG A 72 56.097 38.334 22.729 1.00 0.00 C ATOM 1155 CG ARG A 72 56.329 36.849 22.470 1.00 0.00 C ATOM 1156 CD ARG A 72 55.520 36.311 21.292 1.00 0.00 C ATOM 1157 NE ARG A 72 54.118 36.060 21.626 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.031 36.647 21.108 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.080 37.594 20.161 1.00 0.00 N ATOM 1160 NH2 ARG A 72 51.809 36.293 21.529 1.00 0.00 N ATOM 0 H ARG A 72 56.558 40.805 23.161 1.00 0.00 H new ATOM 0 HA ARG A 72 56.610 38.369 24.800 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.036 38.495 22.919 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.347 38.891 21.826 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.389 36.681 22.281 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.072 36.286 23.367 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.569 37.024 20.469 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.975 35.385 20.939 1.00 0.00 H new ATOM 0 HE ARG A 72 53.947 35.352 22.340 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.981 37.904 19.796 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.217 38.004 19.805 1.00 0.00 H new ATOM 0 HH21 ARG A 72 51.705 35.575 22.246 1.00 0.00 H new ATOM 0 HH22 ARG A 72 50.983 36.742 21.133 1.00 0.00 H new ATOM 1174 N LEU A 73 58.974 37.671 24.362 1.00 0.00 N ATOM 1175 CA LEU A 73 60.399 37.406 24.382 1.00 0.00 C ATOM 1176 C LEU A 73 60.834 36.287 23.435 1.00 0.00 C ATOM 1177 O LEU A 73 60.024 35.476 22.990 1.00 0.00 O ATOM 1178 CB LEU A 73 60.837 37.115 25.815 1.00 0.00 C ATOM 1179 CG LEU A 73 60.538 38.191 26.856 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.066 37.730 28.211 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.176 39.535 26.520 1.00 0.00 C ATOM 0 H LEU A 73 58.435 36.986 24.891 1.00 0.00 H new ATOM 0 HA LEU A 73 60.898 38.302 24.012 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.359 36.189 26.136 1.00 0.00 H new ATOM 0 HB3 LEU A 73 61.912 36.934 25.812 1.00 0.00 H new ATOM 0 HG LEU A 73 59.457 38.333 26.872 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.857 38.492 28.961 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.577 36.798 28.494 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.142 37.570 28.147 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.928 40.259 27.296 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.258 39.420 26.463 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.798 39.888 25.560 1.00 0.00 H new ATOM 1193 N ARG A 74 62.137 36.204 23.180 1.00 0.00 N ATOM 1194 CA ARG A 74 62.829 35.215 22.378 1.00 0.00 C ATOM 1195 C ARG A 74 62.478 35.184 20.889 1.00 0.00 C ATOM 1196 O ARG A 74 62.658 34.159 20.233 1.00 0.00 O ATOM 1197 CB ARG A 74 62.850 33.840 23.038 1.00 0.00 C ATOM 1198 CG ARG A 74 63.504 33.811 24.416 1.00 0.00 C ATOM 1199 CD ARG A 74 63.580 32.384 24.951 1.00 0.00 C ATOM 1200 NE ARG A 74 64.425 32.298 26.141 1.00 0.00 N ATOM 1201 CZ ARG A 74 64.249 31.489 27.196 1.00 0.00 C ATOM 1202 NH1 ARG A 74 63.241 30.611 27.286 1.00 0.00 N ATOM 1203 NH2 ARG A 74 65.098 31.487 28.232 1.00 0.00 N ATOM 0 H ARG A 74 62.786 36.889 23.566 1.00 0.00 H new ATOM 0 HA ARG A 74 63.859 35.571 22.359 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.826 33.478 23.128 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.377 33.145 22.385 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.506 34.236 24.357 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.935 34.433 25.107 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.577 32.031 25.190 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.973 31.725 24.177 1.00 0.00 H new ATOM 0 HE ARG A 74 65.234 32.919 26.172 1.00 0.00 H new ATOM 0 HH11 ARG A 74 62.562 30.535 26.529 1.00 0.00 H new ATOM 0 HH12 ARG A 74 63.153 30.018 28.112 1.00 0.00 H new ATOM 0 HH21 ARG A 74 65.904 32.112 28.232 1.00 0.00 H new ATOM 0 HH22 ARG A 74 64.938 30.860 29.021 1.00 0.00 H new ATOM 1217 N GLY A 75 62.018 36.296 20.323 1.00 0.00 N ATOM 1218 CA GLY A 75 61.934 36.478 18.889 1.00 0.00 C ATOM 1219 C GLY A 75 63.303 36.678 18.237 1.00 0.00 C ATOM 1220 O GLY A 75 64.183 37.294 18.834 1.00 0.00 O ATOM 0 H GLY A 75 61.691 37.101 20.858 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.448 35.609 18.445 1.00 0.00 H new ATOM 0 HA3 GLY A 75 61.304 37.341 18.673 1.00 0.00 H new ATOM 1224 N GLY A 76 63.465 36.184 17.012 1.00 0.00 N ATOM 1225 CA GLY A 76 64.663 36.310 16.208 1.00 0.00 C ATOM 1226 C GLY A 76 64.868 37.699 15.599 1.00 0.00 C ATOM 1227 O GLY A 76 66.030 38.041 15.289 1.00 0.00 O ATOM 1228 OXT GLY A 76 63.883 38.439 15.389 1.00 0.00 O ATOM 0 H GLY A 76 62.728 35.663 16.538 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.528 36.065 16.824 1.00 0.00 H new ATOM 0 HA3 GLY A 76 64.626 35.575 15.404 1.00 0.00 H new TER 1232 GLY A 76