USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.584 K(o=1.2,f=-0.57) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.641 K(o=1.2,f=-0.25) USER MOD Set 2.1: A 22 THR OG1 : rot -59:sc= 1.2 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.82 K(o=3,f=-6.6!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -122:sc= 0.0778 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.0639 USER MOD Set 4.1: A 7 THR OG1 : rot 126:sc= 0.58 USER MOD Set 4.2: A 9 THR OG1 : rot -114:sc= 0.961 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 2.27 (180deg=2.2) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.012 USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= 1.71 (180deg=1.35) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= 1.23 (180deg=1.06) USER MOD Single : A 31 GLN : amide:sc= -0.361 K(o=-0.36,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 1.06 (180deg=1.06) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 41 GLN : amide:sc= 1.72 K(o=1.7,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.732 X(o=-0.73,f=-0.92) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -83:sc= 1.22 USER MOD Single : A 59 TYR OH : rot -164:sc= 1.76 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.811 51.913 19.665 1.00 0.00 N ATOM 2 CA MET A 1 32.891 52.219 21.102 1.00 0.00 C ATOM 3 C MET A 1 34.340 52.490 21.510 1.00 0.00 C ATOM 4 O MET A 1 35.258 51.908 20.938 1.00 0.00 O ATOM 5 CB MET A 1 32.250 51.139 21.970 1.00 0.00 C ATOM 6 CG MET A 1 32.972 49.796 21.939 1.00 0.00 C ATOM 7 SD MET A 1 32.304 48.573 23.096 1.00 0.00 S ATOM 8 CE MET A 1 33.520 47.253 22.865 1.00 0.00 C ATOM 0 H1 MET A 1 31.819 51.748 19.400 1.00 0.00 H new ATOM 0 H2 MET A 1 33.187 52.714 19.118 1.00 0.00 H new ATOM 0 H3 MET A 1 33.370 51.061 19.460 1.00 0.00 H new ATOM 0 HA MET A 1 32.310 53.125 21.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.211 51.493 23.000 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.220 50.992 21.644 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.921 49.391 20.928 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.026 49.957 22.165 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.266 46.408 23.506 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.516 46.933 21.823 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.512 47.622 23.127 1.00 0.00 H new ATOM 20 N GLN A 2 34.552 53.331 22.519 1.00 0.00 N ATOM 21 CA GLN A 2 35.866 53.664 23.032 1.00 0.00 C ATOM 22 C GLN A 2 36.443 52.576 23.940 1.00 0.00 C ATOM 23 O GLN A 2 35.736 52.041 24.791 1.00 0.00 O ATOM 24 CB GLN A 2 35.800 55.018 23.733 1.00 0.00 C ATOM 25 CG GLN A 2 37.106 55.445 24.396 1.00 0.00 C ATOM 26 CD GLN A 2 37.145 56.947 24.685 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.820 57.408 25.776 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.543 57.756 23.707 1.00 0.00 N ATOM 0 H GLN A 2 33.795 53.807 23.009 1.00 0.00 H new ATOM 0 HA GLN A 2 36.556 53.729 22.190 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.510 55.777 23.006 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.016 54.985 24.489 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.235 54.894 25.328 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.943 55.179 23.750 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.812 57.369 22.803 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.579 58.764 23.862 1.00 0.00 H new ATOM 37 N ILE A 3 37.746 52.336 23.829 1.00 0.00 N ATOM 38 CA ILE A 3 38.579 51.629 24.781 1.00 0.00 C ATOM 39 C ILE A 3 39.895 52.382 24.979 1.00 0.00 C ATOM 40 O ILE A 3 40.164 53.362 24.287 1.00 0.00 O ATOM 41 CB ILE A 3 38.819 50.181 24.366 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.577 50.068 23.047 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.517 49.386 24.352 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.116 48.670 22.755 1.00 0.00 C ATOM 0 H ILE A 3 38.277 52.653 23.018 1.00 0.00 H new ATOM 0 HA ILE A 3 38.051 51.592 25.734 1.00 0.00 H new ATOM 0 HB ILE A 3 39.465 49.736 25.123 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.916 50.368 22.234 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.409 50.772 23.057 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.721 48.358 24.052 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.076 49.392 25.349 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.822 49.839 23.645 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.641 48.675 21.800 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.804 48.373 23.546 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.288 47.963 22.710 1.00 0.00 H new ATOM 56 N PHE A 4 40.754 51.910 25.879 1.00 0.00 N ATOM 57 CA PHE A 4 42.063 52.467 26.152 1.00 0.00 C ATOM 58 C PHE A 4 43.168 51.410 26.125 1.00 0.00 C ATOM 59 O PHE A 4 42.925 50.230 26.370 1.00 0.00 O ATOM 60 CB PHE A 4 42.063 53.166 27.509 1.00 0.00 C ATOM 61 CG PHE A 4 41.052 54.279 27.649 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.421 55.604 27.391 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.751 53.987 28.075 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.490 56.635 27.561 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.810 55.015 28.218 1.00 0.00 C ATOM 66 CZ PHE A 4 39.183 56.341 27.965 1.00 0.00 C ATOM 0 H PHE A 4 40.543 51.097 26.457 1.00 0.00 H new ATOM 0 HA PHE A 4 42.273 53.184 25.359 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.874 52.423 28.284 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.058 53.573 27.692 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.424 55.831 27.061 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.472 52.967 28.294 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.781 57.659 27.380 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.800 54.786 28.523 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.462 57.137 28.082 1.00 0.00 H new ATOM 76 N VAL A 5 44.401 51.841 25.878 1.00 0.00 N ATOM 77 CA VAL A 5 45.593 51.019 25.933 1.00 0.00 C ATOM 78 C VAL A 5 46.671 51.712 26.767 1.00 0.00 C ATOM 79 O VAL A 5 46.917 52.903 26.586 1.00 0.00 O ATOM 80 CB VAL A 5 46.115 50.680 24.539 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.273 49.687 24.608 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.039 50.063 23.652 1.00 0.00 C ATOM 0 H VAL A 5 44.599 52.809 25.625 1.00 0.00 H new ATOM 0 HA VAL A 5 45.328 50.076 26.412 1.00 0.00 H new ATOM 0 HB VAL A 5 46.444 51.627 24.111 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.623 49.465 23.600 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.088 50.119 25.188 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.935 48.767 25.085 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.460 49.840 22.672 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.675 49.143 24.109 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.212 50.765 23.541 1.00 0.00 H new ATOM 92 N LYS A 6 47.325 50.969 27.656 1.00 0.00 N ATOM 93 CA LYS A 6 48.524 51.360 28.370 1.00 0.00 C ATOM 94 C LYS A 6 49.751 50.860 27.604 1.00 0.00 C ATOM 95 O LYS A 6 49.888 49.662 27.370 1.00 0.00 O ATOM 96 CB LYS A 6 48.452 50.790 29.784 1.00 0.00 C ATOM 97 CG LYS A 6 49.652 51.113 30.671 1.00 0.00 C ATOM 98 CD LYS A 6 49.843 52.585 31.027 1.00 0.00 C ATOM 99 CE LYS A 6 48.637 53.131 31.785 1.00 0.00 C ATOM 100 NZ LYS A 6 48.974 54.364 32.514 1.00 0.00 N ATOM 0 H LYS A 6 47.012 50.031 27.906 1.00 0.00 H new ATOM 0 HA LYS A 6 48.605 52.444 28.445 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.550 51.168 30.266 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.349 49.707 29.718 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.558 50.545 31.597 1.00 0.00 H new ATOM 0 HG3 LYS A 6 50.554 50.761 30.171 1.00 0.00 H new ATOM 0 HD2 LYS A 6 50.741 52.701 31.634 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.997 53.165 30.117 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.825 53.331 31.085 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.275 52.379 32.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.779 54.233 33.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.982 54.582 32.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.399 55.151 32.150 1.00 0.00 H new ATOM 114 N THR A 7 50.622 51.779 27.196 1.00 0.00 N ATOM 115 CA THR A 7 51.757 51.510 26.337 1.00 0.00 C ATOM 116 C THR A 7 53.028 51.161 27.115 1.00 0.00 C ATOM 117 O THR A 7 53.145 51.465 28.301 1.00 0.00 O ATOM 118 CB THR A 7 52.002 52.679 25.388 1.00 0.00 C ATOM 119 OG1 THR A 7 52.431 53.823 26.093 1.00 0.00 O ATOM 120 CG2 THR A 7 50.746 53.075 24.616 1.00 0.00 C ATOM 0 H THR A 7 50.549 52.760 27.466 1.00 0.00 H new ATOM 0 HA THR A 7 51.504 50.626 25.752 1.00 0.00 H new ATOM 0 HB THR A 7 52.768 52.336 24.693 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.274 54.145 25.712 1.00 0.00 H new ATOM 0 HG21 THR A 7 50.974 53.911 23.955 1.00 0.00 H new ATOM 0 HG22 THR A 7 50.401 52.228 24.024 1.00 0.00 H new ATOM 0 HG23 THR A 7 49.965 53.369 25.318 1.00 0.00 H new ATOM 128 N LEU A 8 54.017 50.554 26.466 1.00 0.00 N ATOM 129 CA LEU A 8 55.312 50.286 27.058 1.00 0.00 C ATOM 130 C LEU A 8 56.181 51.543 27.144 1.00 0.00 C ATOM 131 O LEU A 8 57.070 51.618 27.989 1.00 0.00 O ATOM 132 CB LEU A 8 56.003 49.160 26.295 1.00 0.00 C ATOM 133 CG LEU A 8 55.349 47.793 26.472 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.892 46.812 25.436 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.611 47.214 27.859 1.00 0.00 C ATOM 0 H LEU A 8 53.935 50.232 25.502 1.00 0.00 H new ATOM 0 HA LEU A 8 55.159 49.962 28.087 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.016 49.410 25.234 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.041 49.099 26.621 1.00 0.00 H new ATOM 0 HG LEU A 8 54.276 47.935 26.344 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.418 45.840 25.572 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.676 47.184 24.434 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.970 46.711 25.561 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.128 46.240 27.944 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.685 47.101 28.009 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.207 47.886 28.616 1.00 0.00 H new ATOM 147 N THR A 9 55.872 52.570 26.358 1.00 0.00 N ATOM 148 CA THR A 9 56.376 53.922 26.492 1.00 0.00 C ATOM 149 C THR A 9 55.650 54.747 27.557 1.00 0.00 C ATOM 150 O THR A 9 55.997 55.906 27.777 1.00 0.00 O ATOM 151 CB THR A 9 56.373 54.633 25.141 1.00 0.00 C ATOM 152 OG1 THR A 9 55.081 54.593 24.579 1.00 0.00 O ATOM 153 CG2 THR A 9 57.334 54.007 24.135 1.00 0.00 C ATOM 0 H THR A 9 55.230 52.471 25.572 1.00 0.00 H new ATOM 0 HA THR A 9 57.404 53.832 26.843 1.00 0.00 H new ATOM 0 HB THR A 9 56.695 55.656 25.337 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.096 54.051 23.763 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.286 54.557 23.195 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.350 54.048 24.528 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.054 52.968 23.962 1.00 0.00 H new ATOM 161 N GLY A 10 54.694 54.176 28.283 1.00 0.00 N ATOM 162 CA GLY A 10 54.181 54.717 29.526 1.00 0.00 C ATOM 163 C GLY A 10 53.107 55.801 29.409 1.00 0.00 C ATOM 164 O GLY A 10 52.960 56.599 30.331 1.00 0.00 O ATOM 0 H GLY A 10 54.246 53.301 28.011 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.772 53.894 30.113 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.018 55.126 30.091 1.00 0.00 H new ATOM 168 N LYS A 11 52.345 55.837 28.320 1.00 0.00 N ATOM 169 CA LYS A 11 51.146 56.641 28.189 1.00 0.00 C ATOM 170 C LYS A 11 49.888 55.772 28.236 1.00 0.00 C ATOM 171 O LYS A 11 49.915 54.595 27.884 1.00 0.00 O ATOM 172 CB LYS A 11 51.167 57.483 26.916 1.00 0.00 C ATOM 173 CG LYS A 11 52.348 58.442 26.789 1.00 0.00 C ATOM 174 CD LYS A 11 52.142 59.393 25.615 1.00 0.00 C ATOM 175 CE LYS A 11 53.244 60.438 25.462 1.00 0.00 C ATOM 176 NZ LYS A 11 54.469 59.899 24.851 1.00 0.00 N ATOM 0 H LYS A 11 52.555 55.291 27.484 1.00 0.00 H new ATOM 0 HA LYS A 11 51.124 57.322 29.039 1.00 0.00 H new ATOM 0 HB2 LYS A 11 51.170 56.813 26.056 1.00 0.00 H new ATOM 0 HB3 LYS A 11 50.244 58.061 26.867 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.461 59.013 27.711 1.00 0.00 H new ATOM 0 HG3 LYS A 11 53.269 57.877 26.649 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.078 58.811 24.696 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.186 59.903 25.737 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.873 61.262 24.852 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.485 60.850 26.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.180 60.654 24.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.844 59.131 25.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.251 59.530 23.903 1.00 0.00 H new ATOM 190 N THR A 12 48.763 56.382 28.599 1.00 0.00 N ATOM 191 CA THR A 12 47.437 55.901 28.266 1.00 0.00 C ATOM 192 C THR A 12 46.991 56.556 26.958 1.00 0.00 C ATOM 193 O THR A 12 47.058 57.777 26.839 1.00 0.00 O ATOM 194 CB THR A 12 46.433 56.196 29.379 1.00 0.00 C ATOM 195 OG1 THR A 12 46.837 55.610 30.596 1.00 0.00 O ATOM 196 CG2 THR A 12 45.049 55.627 29.080 1.00 0.00 C ATOM 0 H THR A 12 48.754 57.243 29.145 1.00 0.00 H new ATOM 0 HA THR A 12 47.476 54.818 28.149 1.00 0.00 H new ATOM 0 HB THR A 12 46.392 57.283 29.447 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.179 55.815 31.292 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.373 55.864 29.902 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.667 56.065 28.158 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.117 54.545 28.967 1.00 0.00 H new ATOM 204 N ILE A 13 46.515 55.762 26.002 1.00 0.00 N ATOM 205 CA ILE A 13 46.008 56.203 24.719 1.00 0.00 C ATOM 206 C ILE A 13 44.608 55.650 24.444 1.00 0.00 C ATOM 207 O ILE A 13 44.278 54.560 24.904 1.00 0.00 O ATOM 208 CB ILE A 13 46.977 55.886 23.583 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.271 54.395 23.447 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.250 56.710 23.744 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.159 54.025 22.262 1.00 0.00 C ATOM 0 H ILE A 13 46.473 54.749 26.112 1.00 0.00 H new ATOM 0 HA ILE A 13 45.921 57.288 24.766 1.00 0.00 H new ATOM 0 HB ILE A 13 46.494 56.168 22.647 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.748 54.048 24.363 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.326 53.859 23.357 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.938 56.480 22.930 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.002 57.771 23.720 1.00 0.00 H new ATOM 0 HG23 ILE A 13 48.721 56.469 24.697 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.313 52.946 22.246 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.677 54.336 21.335 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.121 54.528 22.357 1.00 0.00 H new ATOM 223 N THR A 14 43.787 56.376 23.690 1.00 0.00 N ATOM 224 CA THR A 14 42.475 55.931 23.266 1.00 0.00 C ATOM 225 C THR A 14 42.536 55.076 21.999 1.00 0.00 C ATOM 226 O THR A 14 43.401 55.273 21.149 1.00 0.00 O ATOM 227 CB THR A 14 41.501 57.082 23.026 1.00 0.00 C ATOM 228 OG1 THR A 14 41.897 57.900 21.948 1.00 0.00 O ATOM 229 CG2 THR A 14 41.314 57.992 24.236 1.00 0.00 C ATOM 0 H THR A 14 44.026 57.309 23.353 1.00 0.00 H new ATOM 0 HA THR A 14 42.106 55.329 24.097 1.00 0.00 H new ATOM 0 HB THR A 14 40.558 56.581 22.806 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.245 58.622 21.829 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.609 58.785 23.989 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.927 57.410 25.073 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.272 58.432 24.512 1.00 0.00 H new ATOM 237 N LEU A 15 41.577 54.167 21.840 1.00 0.00 N ATOM 238 CA LEU A 15 41.200 53.577 20.571 1.00 0.00 C ATOM 239 C LEU A 15 39.677 53.524 20.427 1.00 0.00 C ATOM 240 O LEU A 15 38.942 53.604 21.408 1.00 0.00 O ATOM 241 CB LEU A 15 41.810 52.187 20.419 1.00 0.00 C ATOM 242 CG LEU A 15 43.315 52.124 20.180 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.743 50.663 20.074 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.732 52.823 18.889 1.00 0.00 C ATOM 0 H LEU A 15 41.026 53.813 22.622 1.00 0.00 H new ATOM 0 HA LEU A 15 41.592 54.207 19.773 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.584 51.615 21.319 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.312 51.685 19.589 1.00 0.00 H new ATOM 0 HG LEU A 15 43.794 52.630 21.018 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.818 50.610 19.903 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.497 50.144 21.000 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.220 50.190 19.243 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.813 52.748 18.768 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.238 52.347 18.042 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.444 53.873 18.934 1.00 0.00 H new ATOM 256 N GLU A 16 39.195 53.392 19.194 1.00 0.00 N ATOM 257 CA GLU A 16 37.810 53.132 18.860 1.00 0.00 C ATOM 258 C GLU A 16 37.696 51.762 18.186 1.00 0.00 C ATOM 259 O GLU A 16 38.412 51.485 17.226 1.00 0.00 O ATOM 260 CB GLU A 16 37.288 54.250 17.962 1.00 0.00 C ATOM 261 CG GLU A 16 35.768 54.275 17.836 1.00 0.00 C ATOM 262 CD GLU A 16 35.057 54.774 19.096 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.877 54.407 19.286 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.630 55.574 19.866 1.00 0.00 O ATOM 0 H GLU A 16 39.790 53.468 18.369 1.00 0.00 H new ATOM 0 HA GLU A 16 37.199 53.112 19.763 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.627 55.208 18.355 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.724 54.140 16.969 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.492 54.913 16.996 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.414 53.271 17.603 1.00 0.00 H new ATOM 271 N VAL A 17 36.826 50.893 18.691 1.00 0.00 N ATOM 272 CA VAL A 17 36.661 49.523 18.247 1.00 0.00 C ATOM 273 C VAL A 17 35.189 49.121 18.135 1.00 0.00 C ATOM 274 O VAL A 17 34.317 49.727 18.752 1.00 0.00 O ATOM 275 CB VAL A 17 37.392 48.550 19.167 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.901 48.777 19.181 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.864 48.593 20.599 1.00 0.00 C ATOM 0 H VAL A 17 36.193 51.139 19.452 1.00 0.00 H new ATOM 0 HA VAL A 17 37.101 49.470 17.251 1.00 0.00 H new ATOM 0 HB VAL A 17 37.193 47.563 18.750 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.371 48.058 19.852 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.298 48.647 18.174 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.114 49.788 19.527 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.418 47.882 21.212 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.991 49.597 21.003 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.806 48.330 20.605 1.00 0.00 H new ATOM 287 N GLU A 18 34.915 48.056 17.387 1.00 0.00 N ATOM 288 CA GLU A 18 33.622 47.406 17.306 1.00 0.00 C ATOM 289 C GLU A 18 33.600 46.151 18.180 1.00 0.00 C ATOM 290 O GLU A 18 34.598 45.435 18.210 1.00 0.00 O ATOM 291 CB GLU A 18 33.314 47.088 15.845 1.00 0.00 C ATOM 292 CG GLU A 18 31.920 47.515 15.395 1.00 0.00 C ATOM 293 CD GLU A 18 31.759 49.037 15.405 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.075 49.573 16.303 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.310 49.722 14.516 1.00 0.00 O ATOM 0 H GLU A 18 35.619 47.609 16.800 1.00 0.00 H new ATOM 0 HA GLU A 18 32.846 48.072 17.684 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.054 47.579 15.214 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.422 46.015 15.687 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.731 47.136 14.391 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.174 47.067 16.051 1.00 0.00 H new ATOM 302 N PRO A 19 32.512 45.801 18.859 1.00 0.00 N ATOM 303 CA PRO A 19 32.461 44.626 19.706 1.00 0.00 C ATOM 304 C PRO A 19 32.746 43.298 19.001 1.00 0.00 C ATOM 305 O PRO A 19 33.127 42.325 19.648 1.00 0.00 O ATOM 306 CB PRO A 19 31.065 44.613 20.323 1.00 0.00 C ATOM 307 CG PRO A 19 30.630 46.076 20.286 1.00 0.00 C ATOM 308 CD PRO A 19 31.297 46.575 19.006 1.00 0.00 C ATOM 0 HA PRO A 19 33.259 44.702 20.444 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.384 43.980 19.755 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.083 44.228 21.342 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.545 46.178 20.247 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.971 46.625 21.164 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.641 46.438 18.146 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.519 47.640 19.072 1.00 0.00 H new ATOM 316 N SER A 20 32.556 43.258 17.686 1.00 0.00 N ATOM 317 CA SER A 20 32.763 42.128 16.802 1.00 0.00 C ATOM 318 C SER A 20 34.179 42.016 16.231 1.00 0.00 C ATOM 319 O SER A 20 34.461 41.066 15.505 1.00 0.00 O ATOM 320 CB SER A 20 31.760 42.241 15.659 1.00 0.00 C ATOM 321 OG SER A 20 31.943 43.465 14.982 1.00 0.00 O ATOM 0 H SER A 20 32.229 44.079 17.177 1.00 0.00 H new ATOM 0 HA SER A 20 32.619 41.225 17.395 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.889 41.409 14.967 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.743 42.178 16.047 1.00 0.00 H new ATOM 0 HG SER A 20 31.298 43.532 14.248 1.00 0.00 H new ATOM 327 N ASP A 21 35.065 42.966 16.517 1.00 0.00 N ATOM 328 CA ASP A 21 36.435 42.971 16.047 1.00 0.00 C ATOM 329 C ASP A 21 37.292 41.918 16.753 1.00 0.00 C ATOM 330 O ASP A 21 37.007 41.515 17.879 1.00 0.00 O ATOM 331 CB ASP A 21 37.058 44.355 16.211 1.00 0.00 C ATOM 332 CG ASP A 21 36.518 45.415 15.250 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.064 45.070 14.138 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.644 46.612 15.588 1.00 0.00 O ATOM 0 H ASP A 21 34.837 43.773 17.098 1.00 0.00 H new ATOM 0 HA ASP A 21 36.409 42.716 14.988 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.894 44.694 17.234 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.136 44.273 16.071 1.00 0.00 H new ATOM 339 N THR A 22 38.359 41.474 16.096 1.00 0.00 N ATOM 340 CA THR A 22 39.292 40.480 16.588 1.00 0.00 C ATOM 341 C THR A 22 40.465 41.094 17.354 1.00 0.00 C ATOM 342 O THR A 22 40.776 42.275 17.215 1.00 0.00 O ATOM 343 CB THR A 22 39.834 39.586 15.477 1.00 0.00 C ATOM 344 OG1 THR A 22 40.665 40.297 14.587 1.00 0.00 O ATOM 345 CG2 THR A 22 38.734 38.920 14.658 1.00 0.00 C ATOM 0 H THR A 22 38.603 41.815 15.166 1.00 0.00 H new ATOM 0 HA THR A 22 38.710 39.870 17.278 1.00 0.00 H new ATOM 0 HB THR A 22 40.408 38.817 15.995 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.158 41.032 14.183 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.183 38.298 13.884 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.119 38.300 15.311 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.113 39.685 14.193 1.00 0.00 H new ATOM 353 N ILE A 23 41.202 40.268 18.091 1.00 0.00 N ATOM 354 CA ILE A 23 42.458 40.669 18.692 1.00 0.00 C ATOM 355 C ILE A 23 43.480 41.135 17.653 1.00 0.00 C ATOM 356 O ILE A 23 44.168 42.125 17.896 1.00 0.00 O ATOM 357 CB ILE A 23 42.966 39.573 19.625 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.119 39.483 20.891 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.440 39.713 19.994 1.00 0.00 C ATOM 360 CD1 ILE A 23 42.169 40.661 21.860 1.00 0.00 C ATOM 0 H ILE A 23 40.940 39.302 18.285 1.00 0.00 H new ATOM 0 HA ILE A 23 42.287 41.551 19.309 1.00 0.00 H new ATOM 0 HB ILE A 23 42.870 38.647 19.058 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.081 39.339 20.591 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.421 38.588 21.435 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.728 38.899 20.659 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.047 39.674 19.089 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.600 40.666 20.498 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.520 40.459 22.712 1.00 0.00 H new ATOM 0 HD12 ILE A 23 43.192 40.802 22.209 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.831 41.564 21.352 1.00 0.00 H new ATOM 372 N GLU A 24 43.533 40.547 16.462 1.00 0.00 N ATOM 373 CA GLU A 24 44.395 41.026 15.401 1.00 0.00 C ATOM 374 C GLU A 24 43.988 42.386 14.830 1.00 0.00 C ATOM 375 O GLU A 24 44.842 43.089 14.295 1.00 0.00 O ATOM 376 CB GLU A 24 44.549 39.976 14.305 1.00 0.00 C ATOM 377 CG GLU A 24 45.498 38.859 14.730 1.00 0.00 C ATOM 378 CD GLU A 24 45.595 37.759 13.671 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.709 36.877 13.636 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.549 37.753 12.863 1.00 0.00 O ATOM 0 H GLU A 24 42.979 39.728 16.211 1.00 0.00 H new ATOM 0 HA GLU A 24 45.369 41.193 15.861 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.573 39.554 14.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.925 40.448 13.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.489 39.275 14.914 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.154 38.428 15.670 1.00 0.00 H new ATOM 387 N ASN A 25 42.744 42.823 15.002 1.00 0.00 N ATOM 388 CA ASN A 25 42.326 44.173 14.680 1.00 0.00 C ATOM 389 C ASN A 25 42.828 45.184 15.713 1.00 0.00 C ATOM 390 O ASN A 25 43.437 46.185 15.342 1.00 0.00 O ATOM 391 CB ASN A 25 40.812 44.268 14.518 1.00 0.00 C ATOM 392 CG ASN A 25 40.243 43.393 13.399 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.417 42.512 13.624 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.629 43.629 12.148 1.00 0.00 N ATOM 0 H ASN A 25 41.994 42.240 15.373 1.00 0.00 H new ATOM 0 HA ASN A 25 42.781 44.425 13.722 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.339 43.987 15.459 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.543 45.306 14.324 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.239 43.080 11.382 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.315 44.359 11.955 1.00 0.00 H new ATOM 401 N VAL A 26 42.627 44.938 17.005 1.00 0.00 N ATOM 402 CA VAL A 26 43.081 45.863 18.024 1.00 0.00 C ATOM 403 C VAL A 26 44.608 45.919 18.112 1.00 0.00 C ATOM 404 O VAL A 26 45.156 47.008 18.262 1.00 0.00 O ATOM 405 CB VAL A 26 42.398 45.641 19.369 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.945 44.458 20.164 1.00 0.00 C ATOM 407 CG2 VAL A 26 42.500 46.882 20.251 1.00 0.00 C ATOM 0 H VAL A 26 42.154 44.108 17.364 1.00 0.00 H new ATOM 0 HA VAL A 26 42.766 46.858 17.709 1.00 0.00 H new ATOM 0 HB VAL A 26 41.362 45.423 19.112 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.404 44.372 21.106 1.00 0.00 H new ATOM 0 HG12 VAL A 26 42.818 43.542 19.587 1.00 0.00 H new ATOM 0 HG13 VAL A 26 44.004 44.615 20.367 1.00 0.00 H new ATOM 0 HG21 VAL A 26 42.004 46.693 21.203 1.00 0.00 H new ATOM 0 HG22 VAL A 26 43.549 47.117 20.429 1.00 0.00 H new ATOM 0 HG23 VAL A 26 42.019 47.724 19.752 1.00 0.00 H new ATOM 417 N LYS A 27 45.310 44.813 17.884 1.00 0.00 N ATOM 418 CA LYS A 27 46.750 44.799 17.720 1.00 0.00 C ATOM 419 C LYS A 27 47.207 45.662 16.541 1.00 0.00 C ATOM 420 O LYS A 27 48.174 46.408 16.680 1.00 0.00 O ATOM 421 CB LYS A 27 47.252 43.373 17.515 1.00 0.00 C ATOM 422 CG LYS A 27 47.285 42.514 18.776 1.00 0.00 C ATOM 423 CD LYS A 27 47.778 41.119 18.403 1.00 0.00 C ATOM 424 CE LYS A 27 48.299 40.344 19.611 1.00 0.00 C ATOM 425 NZ LYS A 27 48.991 39.129 19.155 1.00 0.00 N ATOM 0 H LYS A 27 44.883 43.890 17.808 1.00 0.00 H new ATOM 0 HA LYS A 27 47.173 45.216 18.634 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.618 42.883 16.776 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.257 43.414 17.095 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.943 42.961 19.521 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.292 42.458 19.221 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.964 40.561 17.940 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.570 41.203 17.659 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.980 40.968 20.190 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.472 40.079 20.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.660 38.815 19.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.294 38.378 18.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.509 39.334 18.277 1.00 0.00 H new ATOM 439 N ALA A 28 46.514 45.613 15.407 1.00 0.00 N ATOM 440 CA ALA A 28 46.813 46.454 14.265 1.00 0.00 C ATOM 441 C ALA A 28 46.584 47.940 14.541 1.00 0.00 C ATOM 442 O ALA A 28 47.347 48.777 14.064 1.00 0.00 O ATOM 443 CB ALA A 28 46.007 45.958 13.068 1.00 0.00 C ATOM 0 H ALA A 28 45.726 44.983 15.259 1.00 0.00 H new ATOM 0 HA ALA A 28 47.877 46.374 14.044 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.222 46.582 12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.279 44.926 12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.943 46.012 13.298 1.00 0.00 H new ATOM 449 N LYS A 29 45.602 48.300 15.363 1.00 0.00 N ATOM 450 CA LYS A 29 45.408 49.662 15.820 1.00 0.00 C ATOM 451 C LYS A 29 46.454 50.106 16.844 1.00 0.00 C ATOM 452 O LYS A 29 46.850 51.270 16.847 1.00 0.00 O ATOM 453 CB LYS A 29 43.983 49.850 16.331 1.00 0.00 C ATOM 454 CG LYS A 29 42.967 49.901 15.194 1.00 0.00 C ATOM 455 CD LYS A 29 41.550 50.152 15.703 1.00 0.00 C ATOM 456 CE LYS A 29 40.629 50.336 14.501 1.00 0.00 C ATOM 457 NZ LYS A 29 39.207 50.297 14.873 1.00 0.00 N ATOM 0 H LYS A 29 44.914 47.643 15.731 1.00 0.00 H new ATOM 0 HA LYS A 29 45.553 50.317 14.961 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.730 49.033 17.006 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.925 50.772 16.910 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.246 50.689 14.494 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.993 48.961 14.643 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.213 49.314 16.314 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.527 51.038 16.337 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.850 51.289 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.832 49.555 13.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.665 50.919 14.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.852 49.323 14.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.096 50.621 15.855 1.00 0.00 H new ATOM 471 N ILE A 30 46.977 49.199 17.664 1.00 0.00 N ATOM 472 CA ILE A 30 48.114 49.458 18.524 1.00 0.00 C ATOM 473 C ILE A 30 49.386 49.676 17.701 1.00 0.00 C ATOM 474 O ILE A 30 50.138 50.605 17.991 1.00 0.00 O ATOM 475 CB ILE A 30 48.256 48.354 19.567 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.116 48.448 20.578 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.597 48.409 20.293 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.968 47.230 21.485 1.00 0.00 C ATOM 0 H ILE A 30 46.613 48.250 17.747 1.00 0.00 H new ATOM 0 HA ILE A 30 47.944 50.386 19.070 1.00 0.00 H new ATOM 0 HB ILE A 30 48.211 47.401 19.040 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.271 49.330 21.199 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.181 48.598 20.038 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.648 47.603 21.025 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.406 48.296 19.572 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.696 49.368 20.802 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.134 47.385 22.170 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.779 46.345 20.878 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.885 47.088 22.056 1.00 0.00 H new ATOM 490 N GLN A 31 49.616 48.899 16.648 1.00 0.00 N ATOM 491 CA GLN A 31 50.725 49.074 15.732 1.00 0.00 C ATOM 492 C GLN A 31 50.696 50.446 15.055 1.00 0.00 C ATOM 493 O GLN A 31 51.744 51.068 14.897 1.00 0.00 O ATOM 494 CB GLN A 31 50.687 47.956 14.692 1.00 0.00 C ATOM 495 CG GLN A 31 51.897 47.923 13.764 1.00 0.00 C ATOM 496 CD GLN A 31 51.746 46.874 12.661 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.668 46.343 12.404 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.805 46.518 11.940 1.00 0.00 N ATOM 0 H GLN A 31 49.017 48.110 16.406 1.00 0.00 H new ATOM 0 HA GLN A 31 51.656 49.024 16.297 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.612 46.998 15.207 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.785 48.065 14.090 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.035 48.906 13.313 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.794 47.711 14.346 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.715 46.940 12.127 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.708 45.823 11.199 1.00 0.00 H new ATOM 507 N ASP A 32 49.517 50.959 14.718 1.00 0.00 N ATOM 508 CA ASP A 32 49.339 52.284 14.160 1.00 0.00 C ATOM 509 C ASP A 32 49.867 53.398 15.065 1.00 0.00 C ATOM 510 O ASP A 32 50.318 54.423 14.557 1.00 0.00 O ATOM 511 CB ASP A 32 47.859 52.485 13.843 1.00 0.00 C ATOM 512 CG ASP A 32 47.597 53.667 12.906 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.168 54.744 13.373 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.812 53.508 11.686 1.00 0.00 O ATOM 0 H ASP A 32 48.641 50.448 14.830 1.00 0.00 H new ATOM 0 HA ASP A 32 49.933 52.349 13.248 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.465 51.576 13.389 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.313 52.639 14.773 1.00 0.00 H new ATOM 519 N LYS A 33 49.857 53.208 16.381 1.00 0.00 N ATOM 520 CA LYS A 33 50.230 54.204 17.366 1.00 0.00 C ATOM 521 C LYS A 33 51.561 53.971 18.085 1.00 0.00 C ATOM 522 O LYS A 33 52.178 54.949 18.498 1.00 0.00 O ATOM 523 CB LYS A 33 49.090 54.371 18.367 1.00 0.00 C ATOM 524 CG LYS A 33 47.825 54.929 17.721 1.00 0.00 C ATOM 525 CD LYS A 33 46.800 55.366 18.764 1.00 0.00 C ATOM 526 CE LYS A 33 45.608 56.033 18.085 1.00 0.00 C ATOM 527 NZ LYS A 33 44.709 56.639 19.080 1.00 0.00 N ATOM 0 H LYS A 33 49.578 52.321 16.801 1.00 0.00 H new ATOM 0 HA LYS A 33 50.399 55.123 16.804 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.867 53.407 18.823 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.409 55.037 19.169 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.084 55.778 17.089 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.384 54.172 17.073 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.464 54.503 19.338 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.260 56.058 19.469 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.960 56.798 17.393 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.061 55.297 17.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.905 57.087 18.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.357 55.902 19.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.228 57.357 19.625 1.00 0.00 H new ATOM 541 N GLU A 34 52.004 52.726 18.238 1.00 0.00 N ATOM 542 CA GLU A 34 53.200 52.340 18.961 1.00 0.00 C ATOM 543 C GLU A 34 54.192 51.497 18.157 1.00 0.00 C ATOM 544 O GLU A 34 55.247 51.133 18.673 1.00 0.00 O ATOM 545 CB GLU A 34 52.815 51.608 20.243 1.00 0.00 C ATOM 546 CG GLU A 34 52.157 52.476 21.312 1.00 0.00 C ATOM 547 CD GLU A 34 53.082 53.572 21.845 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.225 53.275 22.254 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.669 54.752 21.880 1.00 0.00 O ATOM 0 H GLU A 34 51.512 51.926 17.841 1.00 0.00 H new ATOM 0 HA GLU A 34 53.722 53.270 19.185 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.135 50.795 19.988 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.711 51.154 20.667 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.260 52.935 20.897 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.838 51.843 22.140 1.00 0.00 H new ATOM 556 N GLY A 35 53.904 51.143 16.907 1.00 0.00 N ATOM 557 CA GLY A 35 54.851 50.532 15.997 1.00 0.00 C ATOM 558 C GLY A 35 55.183 49.053 16.202 1.00 0.00 C ATOM 559 O GLY A 35 55.683 48.434 15.266 1.00 0.00 O ATOM 0 H GLY A 35 52.981 51.279 16.495 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.467 50.652 14.984 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.782 51.096 16.054 1.00 0.00 H new ATOM 563 N ILE A 36 54.878 48.453 17.350 1.00 0.00 N ATOM 564 CA ILE A 36 55.145 47.052 17.605 1.00 0.00 C ATOM 565 C ILE A 36 54.250 46.192 16.711 1.00 0.00 C ATOM 566 O ILE A 36 53.035 46.370 16.745 1.00 0.00 O ATOM 567 CB ILE A 36 54.980 46.683 19.076 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.837 47.572 19.974 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.316 45.212 19.300 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.779 47.237 21.461 1.00 0.00 C ATOM 0 H ILE A 36 54.435 48.935 18.132 1.00 0.00 H new ATOM 0 HA ILE A 36 56.190 46.858 17.362 1.00 0.00 H new ATOM 0 HB ILE A 36 53.937 46.847 19.345 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.873 47.505 19.643 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.525 48.608 19.838 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.193 44.967 20.355 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.648 44.591 18.703 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.348 45.025 19.002 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.420 47.923 22.014 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.753 47.334 21.816 1.00 0.00 H new ATOM 0 HD13 ILE A 36 56.122 46.214 21.617 1.00 0.00 H new ATOM 582 N PRO A 37 54.776 45.254 15.927 1.00 0.00 N ATOM 583 CA PRO A 37 53.975 44.435 15.040 1.00 0.00 C ATOM 584 C PRO A 37 53.116 43.418 15.794 1.00 0.00 C ATOM 585 O PRO A 37 53.591 42.861 16.782 1.00 0.00 O ATOM 586 CB PRO A 37 54.968 43.771 14.092 1.00 0.00 C ATOM 587 CG PRO A 37 56.251 43.688 14.916 1.00 0.00 C ATOM 588 CD PRO A 37 56.185 44.953 15.767 1.00 0.00 C ATOM 0 HA PRO A 37 53.250 45.039 14.494 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.627 42.784 13.781 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.111 44.359 13.185 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.280 42.788 15.530 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.138 43.671 14.283 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.663 44.798 16.734 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.707 45.777 15.282 1.00 0.00 H new ATOM 596 N PRO A 38 51.896 43.119 15.359 1.00 0.00 N ATOM 597 CA PRO A 38 50.966 42.230 16.025 1.00 0.00 C ATOM 598 C PRO A 38 51.512 40.883 16.505 1.00 0.00 C ATOM 599 O PRO A 38 51.187 40.472 17.616 1.00 0.00 O ATOM 600 CB PRO A 38 49.827 42.025 15.031 1.00 0.00 C ATOM 601 CG PRO A 38 49.738 43.390 14.354 1.00 0.00 C ATOM 602 CD PRO A 38 51.204 43.810 14.290 1.00 0.00 C ATOM 0 HA PRO A 38 50.670 42.701 16.962 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.047 41.231 14.318 1.00 0.00 H new ATOM 0 HB3 PRO A 38 48.896 41.756 15.529 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.289 43.325 13.363 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.137 44.093 14.931 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.636 43.552 13.323 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.300 44.890 14.405 1.00 0.00 H new ATOM 610 N ASP A 39 52.382 40.221 15.748 1.00 0.00 N ATOM 611 CA ASP A 39 52.953 38.947 16.137 1.00 0.00 C ATOM 612 C ASP A 39 54.013 39.041 17.237 1.00 0.00 C ATOM 613 O ASP A 39 54.402 38.026 17.811 1.00 0.00 O ATOM 614 CB ASP A 39 53.473 38.195 14.916 1.00 0.00 C ATOM 615 CG ASP A 39 54.796 38.768 14.401 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.758 39.699 13.568 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.872 38.270 14.799 1.00 0.00 O ATOM 0 H ASP A 39 52.709 40.560 14.843 1.00 0.00 H new ATOM 0 HA ASP A 39 52.138 38.377 16.583 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.609 37.144 15.170 1.00 0.00 H new ATOM 0 HB3 ASP A 39 52.728 38.237 14.122 1.00 0.00 H new ATOM 622 N GLN A 40 54.460 40.247 17.574 1.00 0.00 N ATOM 623 CA GLN A 40 55.304 40.531 18.717 1.00 0.00 C ATOM 624 C GLN A 40 54.523 41.119 19.895 1.00 0.00 C ATOM 625 O GLN A 40 55.066 41.197 20.994 1.00 0.00 O ATOM 626 CB GLN A 40 56.473 41.418 18.299 1.00 0.00 C ATOM 627 CG GLN A 40 57.378 40.733 17.280 1.00 0.00 C ATOM 628 CD GLN A 40 58.612 41.558 16.907 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.308 42.114 17.754 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.949 41.648 15.624 1.00 0.00 N ATOM 0 H GLN A 40 54.232 41.082 17.034 1.00 0.00 H new ATOM 0 HA GLN A 40 55.706 39.584 19.078 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.090 42.347 17.876 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.057 41.686 19.179 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.701 39.772 17.681 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.803 40.525 16.377 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.378 41.190 14.913 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.778 42.175 15.350 1.00 0.00 H new ATOM 639 N GLN A 41 53.256 41.480 19.715 1.00 0.00 N ATOM 640 CA GLN A 41 52.391 41.926 20.789 1.00 0.00 C ATOM 641 C GLN A 41 51.766 40.749 21.539 1.00 0.00 C ATOM 642 O GLN A 41 51.212 39.843 20.922 1.00 0.00 O ATOM 643 CB GLN A 41 51.281 42.835 20.269 1.00 0.00 C ATOM 644 CG GLN A 41 51.722 44.115 19.564 1.00 0.00 C ATOM 645 CD GLN A 41 50.526 44.958 19.118 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.461 44.966 19.732 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.620 45.683 18.007 1.00 0.00 N ATOM 0 H GLN A 41 52.800 41.469 18.803 1.00 0.00 H new ATOM 0 HA GLN A 41 53.020 42.488 21.479 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.665 42.260 19.578 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.644 43.111 21.110 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.350 44.701 20.234 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.331 43.861 18.697 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.492 45.695 17.478 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.820 46.227 17.684 1.00 0.00 H new ATOM 656 N ARG A 42 51.743 40.821 22.868 1.00 0.00 N ATOM 657 CA ARG A 42 50.784 40.135 23.710 1.00 0.00 C ATOM 658 C ARG A 42 49.972 41.160 24.507 1.00 0.00 C ATOM 659 O ARG A 42 50.506 42.188 24.916 1.00 0.00 O ATOM 660 CB ARG A 42 51.470 39.100 24.597 1.00 0.00 C ATOM 661 CG ARG A 42 51.444 37.699 23.992 1.00 0.00 C ATOM 662 CD ARG A 42 51.929 36.645 24.983 1.00 0.00 C ATOM 663 NE ARG A 42 53.375 36.424 24.954 1.00 0.00 N ATOM 664 CZ ARG A 42 54.024 35.326 24.543 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.424 34.288 23.945 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.356 35.250 24.667 1.00 0.00 N ATOM 0 H ARG A 42 52.414 41.377 23.398 1.00 0.00 H new ATOM 0 HA ARG A 42 50.086 39.577 23.085 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.504 39.400 24.766 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.981 39.080 25.571 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.429 37.459 23.674 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.071 37.676 23.101 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.638 36.945 25.989 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.423 35.703 24.773 1.00 0.00 H new ATOM 0 HE ARG A 42 53.956 37.194 25.285 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.418 34.306 23.780 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.974 33.479 23.655 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.875 36.028 25.074 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.850 34.414 24.354 1.00 0.00 H new ATOM 680 N LEU A 43 48.687 40.886 24.709 1.00 0.00 N ATOM 681 CA LEU A 43 47.760 41.781 25.373 1.00 0.00 C ATOM 682 C LEU A 43 47.195 41.178 26.660 1.00 0.00 C ATOM 683 O LEU A 43 46.916 39.983 26.728 1.00 0.00 O ATOM 684 CB LEU A 43 46.647 42.200 24.417 1.00 0.00 C ATOM 685 CG LEU A 43 47.092 42.893 23.132 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.867 43.255 22.297 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.879 44.178 23.374 1.00 0.00 C ATOM 0 H LEU A 43 48.256 40.013 24.406 1.00 0.00 H new ATOM 0 HA LEU A 43 48.315 42.672 25.667 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.074 41.313 24.148 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.970 42.867 24.950 1.00 0.00 H new ATOM 0 HG LEU A 43 47.746 42.187 22.620 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.185 43.750 21.379 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.316 42.348 22.048 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.224 43.926 22.867 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.163 44.617 22.417 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.261 44.884 23.928 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.776 43.952 23.950 1.00 0.00 H new ATOM 699 N ILE A 44 47.014 42.014 27.679 1.00 0.00 N ATOM 700 CA ILE A 44 46.496 41.671 28.988 1.00 0.00 C ATOM 701 C ILE A 44 45.285 42.545 29.314 1.00 0.00 C ATOM 702 O ILE A 44 45.300 43.754 29.093 1.00 0.00 O ATOM 703 CB ILE A 44 47.598 41.770 30.039 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.728 40.783 29.762 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.058 41.560 31.451 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.967 40.952 30.637 1.00 0.00 C ATOM 0 H ILE A 44 47.240 43.006 27.602 1.00 0.00 H new ATOM 0 HA ILE A 44 46.155 40.636 28.990 1.00 0.00 H new ATOM 0 HB ILE A 44 47.998 42.782 29.974 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.345 39.771 29.893 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.025 40.879 28.717 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.875 41.639 32.168 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.308 42.320 31.670 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.605 40.571 31.524 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.711 40.204 30.362 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.383 41.949 30.490 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.693 40.824 31.684 1.00 0.00 H new ATOM 718 N PHE A 45 44.234 41.938 29.858 1.00 0.00 N ATOM 719 CA PHE A 45 43.010 42.586 30.285 1.00 0.00 C ATOM 720 C PHE A 45 42.513 42.008 31.612 1.00 0.00 C ATOM 721 O PHE A 45 42.344 40.798 31.745 1.00 0.00 O ATOM 722 CB PHE A 45 41.957 42.420 29.194 1.00 0.00 C ATOM 723 CG PHE A 45 40.563 42.875 29.556 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.342 44.172 30.035 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.486 41.991 29.424 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.052 44.567 30.411 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.195 42.386 29.795 1.00 0.00 C ATOM 728 CZ PHE A 45 37.981 43.673 30.302 1.00 0.00 C ATOM 0 H PHE A 45 44.218 40.931 30.018 1.00 0.00 H new ATOM 0 HA PHE A 45 43.204 43.646 30.447 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.283 42.973 28.313 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.915 41.368 28.912 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.165 44.867 30.114 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.652 40.998 29.033 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.883 45.565 30.787 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.367 41.700 29.690 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.991 43.976 30.609 1.00 0.00 H new ATOM 738 N ALA A 46 42.264 42.882 32.584 1.00 0.00 N ATOM 739 CA ALA A 46 41.827 42.557 33.927 1.00 0.00 C ATOM 740 C ALA A 46 42.627 41.420 34.566 1.00 0.00 C ATOM 741 O ALA A 46 42.075 40.474 35.124 1.00 0.00 O ATOM 742 CB ALA A 46 40.311 42.384 33.938 1.00 0.00 C ATOM 0 H ALA A 46 42.369 43.887 32.442 1.00 0.00 H new ATOM 0 HA ALA A 46 42.051 43.393 34.590 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.980 42.139 34.947 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.837 43.311 33.615 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.032 41.578 33.259 1.00 0.00 H new ATOM 748 N GLY A 47 43.952 41.492 34.470 1.00 0.00 N ATOM 749 CA GLY A 47 44.890 40.532 35.017 1.00 0.00 C ATOM 750 C GLY A 47 45.050 39.214 34.257 1.00 0.00 C ATOM 751 O GLY A 47 45.796 38.360 34.732 1.00 0.00 O ATOM 0 H GLY A 47 44.417 42.260 33.985 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.868 41.010 35.078 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.583 40.301 36.037 1.00 0.00 H new ATOM 755 N LYS A 48 44.413 39.022 33.106 1.00 0.00 N ATOM 756 CA LYS A 48 44.540 37.832 32.288 1.00 0.00 C ATOM 757 C LYS A 48 45.054 38.138 30.880 1.00 0.00 C ATOM 758 O LYS A 48 44.636 39.106 30.248 1.00 0.00 O ATOM 759 CB LYS A 48 43.230 37.051 32.260 1.00 0.00 C ATOM 760 CG LYS A 48 42.808 36.455 33.600 1.00 0.00 C ATOM 761 CD LYS A 48 43.761 35.389 34.134 1.00 0.00 C ATOM 762 CE LYS A 48 43.375 34.923 35.534 1.00 0.00 C ATOM 763 NZ LYS A 48 44.464 34.139 36.135 1.00 0.00 N ATOM 0 H LYS A 48 43.777 39.714 32.710 1.00 0.00 H new ATOM 0 HA LYS A 48 45.297 37.201 32.753 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.438 37.711 31.907 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.320 36.244 31.533 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.729 37.257 34.334 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.814 36.020 33.495 1.00 0.00 H new ATOM 0 HD2 LYS A 48 43.765 34.535 33.457 1.00 0.00 H new ATOM 0 HD3 LYS A 48 44.776 35.787 34.152 1.00 0.00 H new ATOM 0 HE2 LYS A 48 43.151 35.785 36.162 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.469 34.320 35.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 44.184 33.830 37.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 44.659 33.306 35.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 45.320 34.726 36.199 1.00 0.00 H new ATOM 777 N GLN A 49 45.956 37.293 30.387 1.00 0.00 N ATOM 778 CA GLN A 49 46.544 37.383 29.066 1.00 0.00 C ATOM 779 C GLN A 49 45.595 36.826 28.005 1.00 0.00 C ATOM 780 O GLN A 49 44.958 35.797 28.217 1.00 0.00 O ATOM 781 CB GLN A 49 47.896 36.675 29.098 1.00 0.00 C ATOM 782 CG GLN A 49 48.694 36.820 27.805 1.00 0.00 C ATOM 783 CD GLN A 49 50.113 36.278 27.979 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.014 36.978 28.435 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.379 35.018 27.646 1.00 0.00 N ATOM 0 H GLN A 49 46.306 36.499 30.922 1.00 0.00 H new ATOM 0 HA GLN A 49 46.709 38.424 28.787 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.485 37.072 29.925 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.737 35.616 29.300 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.191 36.284 27.000 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.734 37.869 27.513 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.642 34.424 27.266 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.320 34.645 27.770 1.00 0.00 H new ATOM 794 N LEU A 50 45.502 37.520 26.873 1.00 0.00 N ATOM 795 CA LEU A 50 44.592 37.244 25.780 1.00 0.00 C ATOM 796 C LEU A 50 45.293 36.545 24.614 1.00 0.00 C ATOM 797 O LEU A 50 46.518 36.554 24.514 1.00 0.00 O ATOM 798 CB LEU A 50 43.926 38.539 25.327 1.00 0.00 C ATOM 799 CG LEU A 50 43.304 39.410 26.414 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.581 40.583 25.759 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.310 38.646 27.285 1.00 0.00 C ATOM 0 H LEU A 50 46.093 38.331 26.691 1.00 0.00 H new ATOM 0 HA LEU A 50 43.826 36.557 26.140 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.669 39.136 24.797 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.147 38.287 24.607 1.00 0.00 H new ATOM 0 HG LEU A 50 44.114 39.752 27.059 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.133 41.211 26.530 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.293 41.171 25.180 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.800 40.206 25.099 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.899 39.315 28.041 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.502 38.261 26.663 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.818 37.815 27.774 1.00 0.00 H new ATOM 813 N GLU A 51 44.512 35.951 23.716 1.00 0.00 N ATOM 814 CA GLU A 51 44.959 35.197 22.563 1.00 0.00 C ATOM 815 C GLU A 51 44.313 35.687 21.265 1.00 0.00 C ATOM 816 O GLU A 51 43.194 36.195 21.270 1.00 0.00 O ATOM 817 CB GLU A 51 44.618 33.721 22.751 1.00 0.00 C ATOM 818 CG GLU A 51 45.287 33.063 23.954 1.00 0.00 C ATOM 819 CD GLU A 51 44.816 31.611 24.062 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.785 31.354 24.720 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.415 30.729 23.409 1.00 0.00 O ATOM 0 H GLU A 51 43.495 35.989 23.783 1.00 0.00 H new ATOM 0 HA GLU A 51 46.037 35.339 22.483 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.537 33.621 22.853 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.904 33.178 21.850 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.371 33.099 23.847 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.039 33.607 24.865 1.00 0.00 H new ATOM 828 N ASP A 52 44.978 35.472 20.134 1.00 0.00 N ATOM 829 CA ASP A 52 44.426 35.726 18.818 1.00 0.00 C ATOM 830 C ASP A 52 43.289 34.757 18.491 1.00 0.00 C ATOM 831 O ASP A 52 43.070 33.763 19.182 1.00 0.00 O ATOM 832 CB ASP A 52 45.517 35.670 17.753 1.00 0.00 C ATOM 833 CG ASP A 52 46.670 36.670 17.872 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.766 37.462 18.835 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.569 36.632 17.005 1.00 0.00 O ATOM 0 H ASP A 52 45.931 35.110 20.112 1.00 0.00 H new ATOM 0 HA ASP A 52 44.007 36.732 18.823 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.941 34.666 17.757 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.046 35.813 16.781 1.00 0.00 H new ATOM 840 N GLY A 53 42.524 35.045 17.442 1.00 0.00 N ATOM 841 CA GLY A 53 41.466 34.190 16.943 1.00 0.00 C ATOM 842 C GLY A 53 40.084 34.395 17.566 1.00 0.00 C ATOM 843 O GLY A 53 39.132 33.732 17.161 1.00 0.00 O ATOM 0 H GLY A 53 42.631 35.905 16.905 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.383 34.340 15.867 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.762 33.152 17.098 1.00 0.00 H new ATOM 847 N ARG A 54 39.951 35.308 18.524 1.00 0.00 N ATOM 848 CA ARG A 54 38.736 35.638 19.241 1.00 0.00 C ATOM 849 C ARG A 54 38.420 37.135 19.203 1.00 0.00 C ATOM 850 O ARG A 54 39.291 37.953 18.920 1.00 0.00 O ATOM 851 CB ARG A 54 38.836 35.120 20.673 1.00 0.00 C ATOM 852 CG ARG A 54 38.684 33.604 20.749 1.00 0.00 C ATOM 853 CD ARG A 54 39.051 33.077 22.133 1.00 0.00 C ATOM 854 NE ARG A 54 38.146 33.554 23.178 1.00 0.00 N ATOM 855 CZ ARG A 54 38.383 33.568 24.497 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.486 33.059 25.064 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.470 34.106 25.316 1.00 0.00 N ATOM 0 H ARG A 54 40.743 35.870 18.836 1.00 0.00 H new ATOM 0 HA ARG A 54 37.902 35.147 18.740 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.798 35.409 21.096 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.066 35.592 21.283 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.656 33.327 20.513 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.320 33.135 19.999 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.038 31.987 22.117 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.070 33.381 22.374 1.00 0.00 H new ATOM 0 HE ARG A 54 37.242 33.913 22.872 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.206 32.629 24.483 1.00 0.00 H new ATOM 0 HH12 ARG A 54 39.605 33.102 26.076 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.609 34.497 24.933 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.635 34.124 26.322 1.00 0.00 H new ATOM 871 N THR A 55 37.165 37.473 19.485 1.00 0.00 N ATOM 872 CA THR A 55 36.617 38.812 19.396 1.00 0.00 C ATOM 873 C THR A 55 36.513 39.542 20.736 1.00 0.00 C ATOM 874 O THR A 55 36.475 38.926 21.799 1.00 0.00 O ATOM 875 CB THR A 55 35.273 38.836 18.672 1.00 0.00 C ATOM 876 OG1 THR A 55 34.355 37.983 19.318 1.00 0.00 O ATOM 877 CG2 THR A 55 35.382 38.375 17.222 1.00 0.00 C ATOM 0 H THR A 55 36.477 36.787 19.795 1.00 0.00 H new ATOM 0 HA THR A 55 37.347 39.363 18.803 1.00 0.00 H new ATOM 0 HB THR A 55 34.936 39.872 18.692 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.497 38.008 18.846 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.398 38.411 16.754 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.065 39.031 16.682 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.760 37.353 17.193 1.00 0.00 H new ATOM 885 N LEU A 56 36.460 40.870 20.702 1.00 0.00 N ATOM 886 CA LEU A 56 36.502 41.698 21.890 1.00 0.00 C ATOM 887 C LEU A 56 35.327 41.461 22.841 1.00 0.00 C ATOM 888 O LEU A 56 35.528 41.364 24.049 1.00 0.00 O ATOM 889 CB LEU A 56 36.615 43.170 21.504 1.00 0.00 C ATOM 890 CG LEU A 56 37.801 43.563 20.628 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.819 45.076 20.438 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.157 43.145 21.192 1.00 0.00 C ATOM 0 H LEU A 56 36.386 41.402 19.835 1.00 0.00 H new ATOM 0 HA LEU A 56 37.392 41.405 22.446 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.700 43.456 20.985 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.660 43.759 22.420 1.00 0.00 H new ATOM 0 HG LEU A 56 37.660 43.033 19.686 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.667 45.354 19.812 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.894 45.393 19.957 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.909 45.564 21.409 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.947 43.461 20.511 1.00 0.00 H new ATOM 0 HD22 LEU A 56 39.307 43.614 22.164 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.186 42.061 21.304 1.00 0.00 H new ATOM 904 N SER A 57 34.114 41.309 22.318 1.00 0.00 N ATOM 905 CA SER A 57 32.955 40.964 23.117 1.00 0.00 C ATOM 906 C SER A 57 33.018 39.562 23.727 1.00 0.00 C ATOM 907 O SER A 57 32.564 39.380 24.854 1.00 0.00 O ATOM 908 CB SER A 57 31.656 41.155 22.340 1.00 0.00 C ATOM 909 OG SER A 57 31.687 40.562 21.061 1.00 0.00 O ATOM 0 H SER A 57 33.912 41.423 21.325 1.00 0.00 H new ATOM 0 HA SER A 57 32.968 41.663 23.953 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.831 40.730 22.912 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.455 42.221 22.235 1.00 0.00 H new ATOM 0 HG SER A 57 32.128 41.169 20.430 1.00 0.00 H new ATOM 915 N ASP A 58 33.644 38.592 23.067 1.00 0.00 N ATOM 916 CA ASP A 58 33.868 37.265 23.604 1.00 0.00 C ATOM 917 C ASP A 58 34.810 37.266 24.809 1.00 0.00 C ATOM 918 O ASP A 58 34.650 36.458 25.722 1.00 0.00 O ATOM 919 CB ASP A 58 34.383 36.362 22.487 1.00 0.00 C ATOM 920 CG ASP A 58 34.430 34.897 22.924 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.409 34.193 22.769 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.498 34.433 23.378 1.00 0.00 O ATOM 0 H ASP A 58 34.015 38.715 22.125 1.00 0.00 H new ATOM 0 HA ASP A 58 32.919 36.879 23.978 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.740 36.461 21.613 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.380 36.685 22.188 1.00 0.00 H new ATOM 927 N TYR A 59 35.735 38.220 24.868 1.00 0.00 N ATOM 928 CA TYR A 59 36.572 38.502 26.017 1.00 0.00 C ATOM 929 C TYR A 59 35.925 39.374 27.096 1.00 0.00 C ATOM 930 O TYR A 59 36.584 39.666 28.091 1.00 0.00 O ATOM 931 CB TYR A 59 37.890 39.100 25.533 1.00 0.00 C ATOM 932 CG TYR A 59 38.838 38.102 24.914 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.366 37.078 25.710 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.239 38.230 23.579 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.311 36.188 25.184 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.177 37.343 23.037 1.00 0.00 C ATOM 937 CZ TYR A 59 40.716 36.318 23.840 1.00 0.00 C ATOM 938 OH TYR A 59 41.641 35.449 23.340 1.00 0.00 O ATOM 0 H TYR A 59 35.925 38.840 24.081 1.00 0.00 H new ATOM 0 HA TYR A 59 36.742 37.550 26.520 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.674 39.880 24.802 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.387 39.581 26.375 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.043 36.974 26.735 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.824 39.015 22.965 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.727 35.407 25.804 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.486 37.444 22.007 1.00 0.00 H new ATOM 0 HH TYR A 59 42.002 35.803 22.501 1.00 0.00 H new ATOM 948 N ASN A 60 34.671 39.788 26.937 1.00 0.00 N ATOM 949 CA ASN A 60 33.975 40.727 27.796 1.00 0.00 C ATOM 950 C ASN A 60 34.691 42.072 27.934 1.00 0.00 C ATOM 951 O ASN A 60 34.677 42.694 28.993 1.00 0.00 O ATOM 952 CB ASN A 60 33.566 40.055 29.103 1.00 0.00 C ATOM 953 CG ASN A 60 32.444 40.750 29.876 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.919 41.803 29.519 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.991 40.146 30.971 1.00 0.00 N ATOM 0 H ASN A 60 34.089 39.459 26.167 1.00 0.00 H new ATOM 0 HA ASN A 60 33.043 41.013 27.309 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.255 39.033 28.885 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.442 39.990 29.748 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.221 40.557 31.499 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.414 39.272 31.283 1.00 0.00 H new ATOM 962 N ILE A 61 35.317 42.552 26.863 1.00 0.00 N ATOM 963 CA ILE A 61 35.909 43.873 26.800 1.00 0.00 C ATOM 964 C ILE A 61 34.784 44.869 26.511 1.00 0.00 C ATOM 965 O ILE A 61 34.280 44.956 25.395 1.00 0.00 O ATOM 966 CB ILE A 61 37.039 43.921 25.775 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.159 42.955 26.149 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.601 45.334 25.651 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.147 42.670 25.022 1.00 0.00 C ATOM 0 H ILE A 61 35.426 42.018 26.001 1.00 0.00 H new ATOM 0 HA ILE A 61 36.377 44.139 27.748 1.00 0.00 H new ATOM 0 HB ILE A 61 36.622 43.620 24.814 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.705 43.362 27.000 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.717 42.014 26.475 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.405 45.343 24.915 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.810 46.013 25.333 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.990 45.657 26.617 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.909 41.975 25.374 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.618 42.231 24.176 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.621 43.601 24.710 1.00 0.00 H new ATOM 981 N GLN A 62 34.354 45.587 27.545 1.00 0.00 N ATOM 982 CA GLN A 62 33.291 46.571 27.506 1.00 0.00 C ATOM 983 C GLN A 62 33.791 47.955 27.085 1.00 0.00 C ATOM 984 O GLN A 62 34.994 48.205 27.061 1.00 0.00 O ATOM 985 CB GLN A 62 32.627 46.628 28.879 1.00 0.00 C ATOM 986 CG GLN A 62 31.911 45.327 29.233 1.00 0.00 C ATOM 987 CD GLN A 62 31.369 45.301 30.663 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.116 46.323 31.298 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.185 44.114 31.234 1.00 0.00 N ATOM 0 H GLN A 62 34.761 45.489 28.475 1.00 0.00 H new ATOM 0 HA GLN A 62 32.566 46.267 26.751 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.382 46.842 29.636 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.912 47.451 28.900 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.086 45.174 28.537 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.600 44.493 29.099 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.392 43.261 30.715 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.837 44.057 32.191 1.00 0.00 H new ATOM 998 N LYS A 63 32.878 48.888 26.831 1.00 0.00 N ATOM 999 CA LYS A 63 33.193 50.286 26.617 1.00 0.00 C ATOM 1000 C LYS A 63 33.991 50.866 27.787 1.00 0.00 C ATOM 1001 O LYS A 63 33.752 50.512 28.939 1.00 0.00 O ATOM 1002 CB LYS A 63 31.892 51.025 26.324 1.00 0.00 C ATOM 1003 CG LYS A 63 32.048 52.510 26.005 1.00 0.00 C ATOM 1004 CD LYS A 63 30.748 53.088 25.453 1.00 0.00 C ATOM 1005 CE LYS A 63 30.704 54.612 25.527 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.240 55.090 26.839 1.00 0.00 N ATOM 0 H LYS A 63 31.881 48.683 26.768 1.00 0.00 H new ATOM 0 HA LYS A 63 33.850 50.407 25.756 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.398 50.539 25.483 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.232 50.922 27.185 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.338 53.051 26.906 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.849 52.648 25.279 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.627 52.775 24.416 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.906 52.677 26.010 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.698 55.013 25.326 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.043 54.993 24.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.226 56.130 26.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.281 54.730 27.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.884 54.749 27.581 1.00 0.00 H new ATOM 1020 N GLU A 64 34.958 51.730 27.493 1.00 0.00 N ATOM 1021 CA GLU A 64 35.923 52.326 28.395 1.00 0.00 C ATOM 1022 C GLU A 64 36.916 51.385 29.081 1.00 0.00 C ATOM 1023 O GLU A 64 37.703 51.846 29.904 1.00 0.00 O ATOM 1024 CB GLU A 64 35.266 53.292 29.377 1.00 0.00 C ATOM 1025 CG GLU A 64 34.679 54.542 28.726 1.00 0.00 C ATOM 1026 CD GLU A 64 34.084 55.452 29.803 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.779 56.379 30.270 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.918 55.236 30.200 1.00 0.00 O ATOM 0 H GLU A 64 35.093 52.055 26.536 1.00 0.00 H new ATOM 0 HA GLU A 64 36.566 52.891 27.721 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.473 52.767 29.910 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.004 53.595 30.120 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.453 55.074 28.174 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.909 54.262 28.007 1.00 0.00 H new ATOM 1035 N SER A 65 36.948 50.102 28.734 1.00 0.00 N ATOM 1036 CA SER A 65 37.928 49.162 29.241 1.00 0.00 C ATOM 1037 C SER A 65 39.363 49.525 28.852 1.00 0.00 C ATOM 1038 O SER A 65 39.591 50.126 27.805 1.00 0.00 O ATOM 1039 CB SER A 65 37.664 47.744 28.744 1.00 0.00 C ATOM 1040 OG SER A 65 36.382 47.294 29.118 1.00 0.00 O ATOM 0 H SER A 65 36.282 49.685 28.083 1.00 0.00 H new ATOM 0 HA SER A 65 37.825 49.213 30.325 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.758 47.715 27.658 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.419 47.070 29.148 1.00 0.00 H new ATOM 0 HG SER A 65 35.705 47.742 28.569 1.00 0.00 H new ATOM 1046 N THR A 66 40.335 49.113 29.661 1.00 0.00 N ATOM 1047 CA THR A 66 41.747 49.382 29.479 1.00 0.00 C ATOM 1048 C THR A 66 42.537 48.086 29.285 1.00 0.00 C ATOM 1049 O THR A 66 42.504 47.194 30.129 1.00 0.00 O ATOM 1050 CB THR A 66 42.323 50.172 30.650 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.624 51.385 30.823 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.784 50.559 30.442 1.00 0.00 C ATOM 0 H THR A 66 40.145 48.559 30.496 1.00 0.00 H new ATOM 0 HA THR A 66 41.842 49.987 28.578 1.00 0.00 H new ATOM 0 HB THR A 66 42.230 49.514 31.514 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.006 51.878 31.579 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.139 51.119 31.307 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.385 49.658 30.321 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.873 51.177 29.549 1.00 0.00 H new ATOM 1060 N LEU A 67 43.300 48.018 28.198 1.00 0.00 N ATOM 1061 CA LEU A 67 44.214 46.943 27.867 1.00 0.00 C ATOM 1062 C LEU A 67 45.652 47.315 28.235 1.00 0.00 C ATOM 1063 O LEU A 67 46.041 48.474 28.121 1.00 0.00 O ATOM 1064 CB LEU A 67 44.108 46.611 26.381 1.00 0.00 C ATOM 1065 CG LEU A 67 42.708 46.330 25.842 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.791 46.006 24.353 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.034 45.151 26.537 1.00 0.00 C ATOM 0 H LEU A 67 43.293 48.753 27.491 1.00 0.00 H new ATOM 0 HA LEU A 67 43.939 46.062 28.447 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.531 47.441 25.815 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.731 45.739 26.181 1.00 0.00 H new ATOM 0 HG LEU A 67 42.116 47.226 26.029 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.791 45.805 23.968 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.222 46.853 23.820 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.419 45.128 24.206 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.042 44.998 26.113 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.633 44.252 26.392 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.945 45.360 27.603 1.00 0.00 H new ATOM 1079 N HIS A 68 46.469 46.334 28.609 1.00 0.00 N ATOM 1080 CA HIS A 68 47.899 46.476 28.791 1.00 0.00 C ATOM 1081 C HIS A 68 48.651 45.719 27.694 1.00 0.00 C ATOM 1082 O HIS A 68 48.249 44.626 27.301 1.00 0.00 O ATOM 1083 CB HIS A 68 48.317 46.023 30.187 1.00 0.00 C ATOM 1084 CG HIS A 68 47.926 46.977 31.283 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.813 47.711 32.068 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.644 47.274 31.664 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.060 48.446 32.889 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.756 48.215 32.669 1.00 0.00 N ATOM 0 H HIS A 68 46.136 45.389 28.799 1.00 0.00 H new ATOM 0 HA HIS A 68 48.162 47.530 28.705 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.871 45.049 30.391 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.398 45.888 30.205 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.733 46.858 31.261 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.446 49.132 33.628 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.980 48.659 33.160 1.00 0.00 H new ATOM 1096 N LEU A 69 49.746 46.303 27.217 1.00 0.00 N ATOM 1097 CA LEU A 69 50.585 45.785 26.154 1.00 0.00 C ATOM 1098 C LEU A 69 51.903 45.251 26.719 1.00 0.00 C ATOM 1099 O LEU A 69 52.554 45.948 27.495 1.00 0.00 O ATOM 1100 CB LEU A 69 50.798 46.921 25.158 1.00 0.00 C ATOM 1101 CG LEU A 69 51.814 46.674 24.047 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.406 45.539 23.112 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.969 47.955 23.231 1.00 0.00 C ATOM 0 H LEU A 69 50.084 47.193 27.582 1.00 0.00 H new ATOM 0 HA LEU A 69 50.112 44.942 25.650 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.838 47.154 24.696 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.108 47.807 25.713 1.00 0.00 H new ATOM 0 HG LEU A 69 52.752 46.384 24.520 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.167 45.410 22.342 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.307 44.616 23.682 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.452 45.780 22.642 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.693 47.792 22.433 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.007 48.229 22.798 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.318 48.759 23.879 1.00 0.00 H new ATOM 1115 N VAL A 70 52.318 44.062 26.292 1.00 0.00 N ATOM 1116 CA VAL A 70 53.617 43.483 26.565 1.00 0.00 C ATOM 1117 C VAL A 70 54.250 42.906 25.297 1.00 0.00 C ATOM 1118 O VAL A 70 53.555 42.515 24.362 1.00 0.00 O ATOM 1119 CB VAL A 70 53.570 42.447 27.686 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.230 43.078 29.033 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.588 41.306 27.436 1.00 0.00 C ATOM 0 H VAL A 70 51.728 43.455 25.723 1.00 0.00 H new ATOM 0 HA VAL A 70 54.254 44.295 26.916 1.00 0.00 H new ATOM 0 HB VAL A 70 54.578 42.032 27.704 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.207 42.305 29.801 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.986 43.821 29.288 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.254 43.559 28.973 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.614 40.613 28.277 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.581 41.709 27.329 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.867 40.779 26.523 1.00 0.00 H new ATOM 1131 N LEU A 71 55.578 42.860 25.246 1.00 0.00 N ATOM 1132 CA LEU A 71 56.357 42.375 24.124 1.00 0.00 C ATOM 1133 C LEU A 71 56.627 40.873 24.223 1.00 0.00 C ATOM 1134 O LEU A 71 56.876 40.367 25.315 1.00 0.00 O ATOM 1135 CB LEU A 71 57.638 43.201 24.066 1.00 0.00 C ATOM 1136 CG LEU A 71 58.572 42.919 22.893 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.962 43.296 21.546 1.00 0.00 C ATOM 1138 CD2 LEU A 71 59.859 43.726 23.042 1.00 0.00 C ATOM 0 H LEU A 71 56.161 43.175 26.022 1.00 0.00 H new ATOM 0 HA LEU A 71 55.801 42.498 23.195 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.364 44.256 24.039 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.192 43.039 24.991 1.00 0.00 H new ATOM 0 HG LEU A 71 58.761 41.846 22.911 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.672 43.073 20.750 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.048 42.724 21.388 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.730 44.361 21.537 1.00 0.00 H new ATOM 0 HD21 LEU A 71 60.519 43.518 22.200 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.621 44.790 23.062 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.357 43.448 23.971 1.00 0.00 H new ATOM 1150 N ARG A 72 56.622 40.151 23.106 1.00 0.00 N ATOM 1151 CA ARG A 72 57.144 38.802 23.015 1.00 0.00 C ATOM 1152 C ARG A 72 58.674 38.824 22.995 1.00 0.00 C ATOM 1153 O ARG A 72 59.274 39.364 22.068 1.00 0.00 O ATOM 1154 CB ARG A 72 56.610 38.046 21.803 1.00 0.00 C ATOM 1155 CG ARG A 72 55.133 37.671 21.890 1.00 0.00 C ATOM 1156 CD ARG A 72 54.829 36.459 21.013 1.00 0.00 C ATOM 1157 NE ARG A 72 53.478 35.938 21.223 1.00 0.00 N ATOM 1158 CZ ARG A 72 52.389 36.180 20.481 1.00 0.00 C ATOM 1159 NH1 ARG A 72 52.397 36.980 19.406 1.00 0.00 N ATOM 1160 NH2 ARG A 72 51.208 35.611 20.763 1.00 0.00 N ATOM 0 H ARG A 72 56.246 40.500 22.224 1.00 0.00 H new ATOM 0 HA ARG A 72 56.800 38.268 23.901 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.765 38.656 20.913 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.196 37.136 21.672 1.00 0.00 H new ATOM 0 HG2 ARG A 72 54.869 37.452 22.925 1.00 0.00 H new ATOM 0 HG3 ARG A 72 54.520 38.516 21.576 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.950 36.734 19.965 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.554 35.673 21.222 1.00 0.00 H new ATOM 0 HE ARG A 72 53.351 35.321 22.025 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.261 37.439 19.118 1.00 0.00 H new ATOM 0 HH12 ARG A 72 51.539 37.130 18.876 1.00 0.00 H new ATOM 0 HH21 ARG A 72 51.124 34.978 21.558 1.00 0.00 H new ATOM 0 HH22 ARG A 72 50.394 35.812 20.182 1.00 0.00 H new ATOM 1174 N LEU A 73 59.304 38.187 23.978 1.00 0.00 N ATOM 1175 CA LEU A 73 60.741 38.157 24.155 1.00 0.00 C ATOM 1176 C LEU A 73 61.307 36.815 23.687 1.00 0.00 C ATOM 1177 O LEU A 73 60.933 35.778 24.231 1.00 0.00 O ATOM 1178 CB LEU A 73 61.074 38.463 25.613 1.00 0.00 C ATOM 1179 CG LEU A 73 60.613 39.829 26.111 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.985 40.011 27.580 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.219 40.988 25.324 1.00 0.00 C ATOM 0 H LEU A 73 58.805 37.661 24.695 1.00 0.00 H new ATOM 0 HA LEU A 73 61.213 38.923 23.540 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.624 37.694 26.241 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.154 38.391 25.745 1.00 0.00 H new ATOM 0 HG LEU A 73 59.532 39.849 25.973 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.650 40.990 27.922 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.505 39.235 28.176 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.067 39.938 27.693 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.852 41.932 25.727 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.305 40.956 25.407 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.933 40.905 24.276 1.00 0.00 H new ATOM 1193 N ARG A 74 62.172 36.833 22.677 1.00 0.00 N ATOM 1194 CA ARG A 74 62.727 35.683 21.992 1.00 0.00 C ATOM 1195 C ARG A 74 64.199 35.878 21.628 1.00 0.00 C ATOM 1196 O ARG A 74 64.667 37.011 21.542 1.00 0.00 O ATOM 1197 CB ARG A 74 61.928 35.390 20.725 1.00 0.00 C ATOM 1198 CG ARG A 74 60.462 35.063 20.997 1.00 0.00 C ATOM 1199 CD ARG A 74 59.825 34.215 19.899 1.00 0.00 C ATOM 1200 NE ARG A 74 59.866 34.867 18.590 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.677 34.251 17.415 1.00 0.00 C ATOM 1202 NH1 ARG A 74 59.411 32.941 17.315 1.00 0.00 N ATOM 1203 NH2 ARG A 74 59.745 34.940 16.266 1.00 0.00 N ATOM 0 H ARG A 74 62.523 37.711 22.295 1.00 0.00 H new ATOM 0 HA ARG A 74 62.662 34.840 22.680 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.983 36.253 20.061 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.388 34.553 20.199 1.00 0.00 H new ATOM 0 HG2 ARG A 74 60.384 34.535 21.947 1.00 0.00 H new ATOM 0 HG3 ARG A 74 59.902 35.992 21.102 1.00 0.00 H new ATOM 0 HD2 ARG A 74 60.341 33.257 19.840 1.00 0.00 H new ATOM 0 HD3 ARG A 74 58.789 34.004 20.163 1.00 0.00 H new ATOM 0 HE ARG A 74 60.053 35.869 18.570 1.00 0.00 H new ATOM 0 HH11 ARG A 74 59.345 32.368 18.156 1.00 0.00 H new ATOM 0 HH12 ARG A 74 59.275 32.517 16.397 1.00 0.00 H new ATOM 0 HH21 ARG A 74 59.942 35.941 16.282 1.00 0.00 H new ATOM 0 HH22 ARG A 74 59.600 34.463 15.376 1.00 0.00 H new ATOM 1217 N GLY A 75 64.935 34.794 21.397 1.00 0.00 N ATOM 1218 CA GLY A 75 66.319 34.827 20.970 1.00 0.00 C ATOM 1219 C GLY A 75 67.141 33.605 21.387 1.00 0.00 C ATOM 1220 O GLY A 75 66.594 32.623 21.884 1.00 0.00 O ATOM 0 H GLY A 75 64.570 33.848 21.506 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.349 34.916 19.884 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.790 35.722 21.376 1.00 0.00 H new ATOM 1224 N GLY A 76 68.455 33.666 21.192 1.00 0.00 N ATOM 1225 CA GLY A 76 69.401 32.640 21.586 1.00 0.00 C ATOM 1226 C GLY A 76 70.817 32.895 21.068 1.00 0.00 C ATOM 1227 O GLY A 76 71.180 32.292 20.036 1.00 0.00 O ATOM 1228 OXT GLY A 76 71.558 33.678 21.702 1.00 0.00 O ATOM 0 H GLY A 76 68.901 34.463 20.738 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.425 32.576 22.674 1.00 0.00 H new ATOM 0 HA3 GLY A 76 69.055 31.675 21.217 1.00 0.00 H new TER 1232 GLY A 76