USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -80:sc= 1.06 USER MOD Set 1.2: A 57 SER OG : rot -80:sc= 1.2 USER MOD Set 2.1: A 22 THR OG1 : rot -50:sc= 0.185 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.805 K(o=0.99,f=-5!) USER MOD Set 3.1: A 7 THR OG1 : rot 129:sc= 1.72 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.08 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -129:sc= 0.255 (180deg=-0.158) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.354 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.46 (180deg=2.39) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 0.981 (180deg=0.363) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.08 (180deg=0.248) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.384 K(o=-0.38,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00445 K(o=-0.0044,f=-2.7!) USER MOD Single : A 41 GLN : amide:sc= 1 K(o=1,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.752 K(o=0.75,f=-4.3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 1.28 USER MOD Single : A 60 ASN : amide:sc= -0.0198 K(o=-0.02,f=-0.75) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.23) USER MOD Single : A 65 SER OG : rot 68:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.741 51.511 20.141 1.00 0.00 N ATOM 2 CA MET A 1 33.035 51.890 21.532 1.00 0.00 C ATOM 3 C MET A 1 34.488 52.343 21.687 1.00 0.00 C ATOM 4 O MET A 1 35.385 51.805 21.043 1.00 0.00 O ATOM 5 CB MET A 1 32.686 50.784 22.524 1.00 0.00 C ATOM 6 CG MET A 1 33.528 49.519 22.387 1.00 0.00 C ATOM 7 SD MET A 1 33.262 48.291 23.689 1.00 0.00 S ATOM 8 CE MET A 1 34.519 47.080 23.211 1.00 0.00 C ATOM 0 H1 MET A 1 31.740 51.241 20.059 1.00 0.00 H new ATOM 0 H2 MET A 1 32.934 52.317 19.513 1.00 0.00 H new ATOM 0 H3 MET A 1 33.340 50.707 19.866 1.00 0.00 H new ATOM 0 HA MET A 1 32.392 52.737 21.771 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.800 51.173 23.536 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.636 50.521 22.400 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.314 49.059 21.423 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.581 49.799 22.380 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.502 46.243 23.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.311 46.718 22.204 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.503 47.549 23.232 1.00 0.00 H new ATOM 20 N GLN A 2 34.739 53.292 22.586 1.00 0.00 N ATOM 21 CA GLN A 2 36.067 53.738 22.956 1.00 0.00 C ATOM 22 C GLN A 2 36.713 52.777 23.956 1.00 0.00 C ATOM 23 O GLN A 2 36.040 52.326 24.880 1.00 0.00 O ATOM 24 CB GLN A 2 35.934 55.150 23.519 1.00 0.00 C ATOM 25 CG GLN A 2 37.264 55.783 23.919 1.00 0.00 C ATOM 26 CD GLN A 2 37.071 57.270 24.223 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.846 57.680 25.359 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.095 58.133 23.212 1.00 0.00 N ATOM 0 H GLN A 2 33.998 53.782 23.088 1.00 0.00 H new ATOM 0 HA GLN A 2 36.725 53.750 22.087 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.450 55.783 22.775 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.279 55.123 24.390 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.668 55.275 24.794 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.990 55.660 23.115 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.281 57.804 22.265 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.928 59.124 23.384 1.00 0.00 H new ATOM 37 N ILE A 3 38.009 52.513 23.826 1.00 0.00 N ATOM 38 CA ILE A 3 38.839 51.827 24.796 1.00 0.00 C ATOM 39 C ILE A 3 40.194 52.521 24.956 1.00 0.00 C ATOM 40 O ILE A 3 40.586 53.339 24.126 1.00 0.00 O ATOM 41 CB ILE A 3 39.030 50.353 24.449 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.750 50.142 23.119 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.706 49.596 24.502 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.328 48.740 22.954 1.00 0.00 C ATOM 0 H ILE A 3 38.532 52.789 22.995 1.00 0.00 H new ATOM 0 HA ILE A 3 38.312 51.874 25.749 1.00 0.00 H new ATOM 0 HB ILE A 3 39.685 49.936 25.214 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.054 50.337 22.303 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.556 50.871 23.032 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.875 48.549 24.250 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.288 49.665 25.506 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.008 50.033 23.788 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.825 48.663 21.987 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.049 48.548 23.748 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.524 48.006 23.009 1.00 0.00 H new ATOM 56 N PHE A 4 40.943 52.140 25.987 1.00 0.00 N ATOM 57 CA PHE A 4 42.293 52.601 26.240 1.00 0.00 C ATOM 58 C PHE A 4 43.266 51.423 26.310 1.00 0.00 C ATOM 59 O PHE A 4 42.922 50.364 26.829 1.00 0.00 O ATOM 60 CB PHE A 4 42.328 53.426 27.524 1.00 0.00 C ATOM 61 CG PHE A 4 41.213 54.435 27.658 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.178 55.560 26.826 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.178 54.212 28.574 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.106 56.457 26.898 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.108 55.111 28.649 1.00 0.00 C ATOM 66 CZ PHE A 4 39.062 56.226 27.802 1.00 0.00 C ATOM 0 H PHE A 4 40.610 51.480 26.689 1.00 0.00 H new ATOM 0 HA PHE A 4 42.610 53.237 25.413 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.290 52.748 28.376 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.282 53.950 27.577 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.981 55.737 26.126 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.205 53.348 29.221 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.084 57.326 26.257 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.315 54.945 29.363 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.224 56.905 27.846 1.00 0.00 H new ATOM 76 N VAL A 5 44.492 51.604 25.828 1.00 0.00 N ATOM 77 CA VAL A 5 45.566 50.642 25.975 1.00 0.00 C ATOM 78 C VAL A 5 46.770 51.316 26.635 1.00 0.00 C ATOM 79 O VAL A 5 47.284 52.305 26.117 1.00 0.00 O ATOM 80 CB VAL A 5 45.949 49.979 24.655 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.878 48.792 24.900 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.745 49.484 23.860 1.00 0.00 C ATOM 0 H VAL A 5 44.766 52.442 25.315 1.00 0.00 H new ATOM 0 HA VAL A 5 45.209 49.837 26.618 1.00 0.00 H new ATOM 0 HB VAL A 5 46.449 50.752 24.071 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.140 48.332 23.947 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.784 49.136 25.398 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.374 48.059 25.530 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.086 49.023 22.933 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.196 48.750 24.450 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.091 50.325 23.628 1.00 0.00 H new ATOM 92 N LYS A 6 47.216 50.791 27.773 1.00 0.00 N ATOM 93 CA LYS A 6 48.336 51.296 28.542 1.00 0.00 C ATOM 94 C LYS A 6 49.613 50.493 28.288 1.00 0.00 C ATOM 95 O LYS A 6 49.537 49.310 27.963 1.00 0.00 O ATOM 96 CB LYS A 6 47.930 51.384 30.011 1.00 0.00 C ATOM 97 CG LYS A 6 48.759 52.418 30.768 1.00 0.00 C ATOM 98 CD LYS A 6 48.227 52.649 32.179 1.00 0.00 C ATOM 99 CE LYS A 6 48.935 53.796 32.895 1.00 0.00 C ATOM 100 NZ LYS A 6 48.659 55.096 32.264 1.00 0.00 N ATOM 0 H LYS A 6 46.786 49.969 28.197 1.00 0.00 H new ATOM 0 HA LYS A 6 48.588 52.304 28.214 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.874 51.643 30.081 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.050 50.408 30.480 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.795 52.085 30.821 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.754 53.360 30.219 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.159 52.861 32.130 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.344 51.735 32.761 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.616 53.824 33.937 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.010 53.614 32.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.555 55.591 32.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.157 54.946 31.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.069 55.671 32.898 1.00 0.00 H new ATOM 114 N THR A 7 50.774 51.130 28.410 1.00 0.00 N ATOM 115 CA THR A 7 52.065 50.532 28.127 1.00 0.00 C ATOM 116 C THR A 7 53.068 50.710 29.269 1.00 0.00 C ATOM 117 O THR A 7 53.057 51.709 29.984 1.00 0.00 O ATOM 118 CB THR A 7 52.674 51.073 26.837 1.00 0.00 C ATOM 119 OG1 THR A 7 53.208 52.364 27.027 1.00 0.00 O ATOM 120 CG2 THR A 7 51.699 51.169 25.667 1.00 0.00 C ATOM 0 H THR A 7 50.839 52.101 28.716 1.00 0.00 H new ATOM 0 HA THR A 7 51.866 49.467 28.011 1.00 0.00 H new ATOM 0 HB THR A 7 53.445 50.344 26.587 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.129 52.389 26.694 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.217 51.563 24.793 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.305 50.178 25.439 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.877 51.834 25.932 1.00 0.00 H new ATOM 128 N LEU A 8 54.011 49.780 29.388 1.00 0.00 N ATOM 129 CA LEU A 8 55.164 49.890 30.257 1.00 0.00 C ATOM 130 C LEU A 8 56.067 51.053 29.839 1.00 0.00 C ATOM 131 O LEU A 8 56.656 51.709 30.696 1.00 0.00 O ATOM 132 CB LEU A 8 55.909 48.559 30.231 1.00 0.00 C ATOM 133 CG LEU A 8 57.122 48.459 31.152 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.757 48.630 32.624 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.768 47.086 30.980 1.00 0.00 C ATOM 0 H LEU A 8 53.987 48.905 28.864 1.00 0.00 H new ATOM 0 HA LEU A 8 54.841 50.106 31.276 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.209 47.767 30.496 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.236 48.367 29.209 1.00 0.00 H new ATOM 0 HG LEU A 8 57.803 49.264 30.875 1.00 0.00 H new ATOM 0 HD11 LEU A 8 57.657 48.550 33.234 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.303 49.609 32.775 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.050 47.853 32.916 1.00 0.00 H new ATOM 0 HD21 LEU A 8 58.636 47.007 31.635 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.047 46.310 31.238 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.083 46.959 29.944 1.00 0.00 H new ATOM 147 N THR A 9 56.093 51.385 28.551 1.00 0.00 N ATOM 148 CA THR A 9 56.777 52.525 27.974 1.00 0.00 C ATOM 149 C THR A 9 56.152 53.879 28.319 1.00 0.00 C ATOM 150 O THR A 9 56.548 54.900 27.763 1.00 0.00 O ATOM 151 CB THR A 9 56.919 52.380 26.462 1.00 0.00 C ATOM 152 OG1 THR A 9 55.646 52.325 25.858 1.00 0.00 O ATOM 153 CG2 THR A 9 57.656 51.107 26.053 1.00 0.00 C ATOM 0 H THR A 9 55.607 50.830 27.847 1.00 0.00 H new ATOM 0 HA THR A 9 57.765 52.521 28.435 1.00 0.00 H new ATOM 0 HB THR A 9 57.491 53.247 26.133 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.748 52.233 24.888 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.726 51.060 24.966 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.658 51.114 26.481 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.111 50.237 26.420 1.00 0.00 H new ATOM 161 N GLY A 10 55.194 53.918 29.240 1.00 0.00 N ATOM 162 CA GLY A 10 54.669 55.124 29.848 1.00 0.00 C ATOM 163 C GLY A 10 53.496 55.785 29.120 1.00 0.00 C ATOM 164 O GLY A 10 53.119 56.895 29.485 1.00 0.00 O ATOM 0 H GLY A 10 54.747 53.072 29.594 1.00 0.00 H new ATOM 0 HA2 GLY A 10 54.354 54.887 30.864 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.478 55.850 29.926 1.00 0.00 H new ATOM 168 N LYS A 11 52.908 55.139 28.117 1.00 0.00 N ATOM 169 CA LYS A 11 51.862 55.698 27.285 1.00 0.00 C ATOM 170 C LYS A 11 50.477 55.153 27.636 1.00 0.00 C ATOM 171 O LYS A 11 50.347 54.038 28.137 1.00 0.00 O ATOM 172 CB LYS A 11 52.161 55.461 25.808 1.00 0.00 C ATOM 173 CG LYS A 11 53.542 55.948 25.378 1.00 0.00 C ATOM 174 CD LYS A 11 53.640 55.994 23.856 1.00 0.00 C ATOM 175 CE LYS A 11 55.046 56.422 23.449 1.00 0.00 C ATOM 176 NZ LYS A 11 55.177 56.497 21.985 1.00 0.00 N ATOM 0 H LYS A 11 53.158 54.185 27.858 1.00 0.00 H new ATOM 0 HA LYS A 11 51.847 56.770 27.481 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.079 54.395 25.596 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.404 55.965 25.207 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.730 56.939 25.791 1.00 0.00 H new ATOM 0 HG3 LYS A 11 54.309 55.285 25.778 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.411 55.014 23.437 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.905 56.692 23.455 1.00 0.00 H new ATOM 0 HE2 LYS A 11 55.274 57.393 23.887 1.00 0.00 H new ATOM 0 HE3 LYS A 11 55.774 55.714 23.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.039 57.024 21.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.235 55.536 21.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.349 56.984 21.587 1.00 0.00 H new ATOM 190 N THR A 12 49.454 55.915 27.259 1.00 0.00 N ATOM 191 CA THR A 12 48.079 55.467 27.161 1.00 0.00 C ATOM 192 C THR A 12 47.533 55.885 25.795 1.00 0.00 C ATOM 193 O THR A 12 47.389 57.076 25.528 1.00 0.00 O ATOM 194 CB THR A 12 47.204 56.045 28.269 1.00 0.00 C ATOM 195 OG1 THR A 12 47.758 55.832 29.548 1.00 0.00 O ATOM 196 CG2 THR A 12 45.814 55.416 28.295 1.00 0.00 C ATOM 0 H THR A 12 49.570 56.896 27.005 1.00 0.00 H new ATOM 0 HA THR A 12 48.059 54.383 27.273 1.00 0.00 H new ATOM 0 HB THR A 12 47.141 57.110 28.045 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.168 56.219 30.228 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.229 55.860 29.100 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.315 55.596 27.343 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.904 54.342 28.461 1.00 0.00 H new ATOM 204 N ILE A 13 47.234 54.921 24.928 1.00 0.00 N ATOM 205 CA ILE A 13 46.693 55.154 23.604 1.00 0.00 C ATOM 206 C ILE A 13 45.183 54.907 23.572 1.00 0.00 C ATOM 207 O ILE A 13 44.700 53.959 24.186 1.00 0.00 O ATOM 208 CB ILE A 13 47.471 54.418 22.517 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.395 52.899 22.637 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.919 54.903 22.517 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.105 52.125 21.530 1.00 0.00 C ATOM 0 H ILE A 13 47.367 53.932 25.139 1.00 0.00 H new ATOM 0 HA ILE A 13 46.829 56.209 23.367 1.00 0.00 H new ATOM 0 HB ILE A 13 47.002 54.654 21.562 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.821 52.604 23.596 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.346 52.603 22.650 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.478 54.379 21.742 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.944 55.975 22.321 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.370 54.701 23.489 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.993 51.055 21.705 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.666 52.383 20.566 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.164 52.384 21.527 1.00 0.00 H new ATOM 223 N THR A 14 44.438 55.759 22.874 1.00 0.00 N ATOM 224 CA THR A 14 42.991 55.736 22.833 1.00 0.00 C ATOM 225 C THR A 14 42.511 55.238 21.468 1.00 0.00 C ATOM 226 O THR A 14 42.935 55.772 20.446 1.00 0.00 O ATOM 227 CB THR A 14 42.408 57.112 23.145 1.00 0.00 C ATOM 228 OG1 THR A 14 42.885 57.595 24.381 1.00 0.00 O ATOM 229 CG2 THR A 14 40.885 57.073 23.241 1.00 0.00 C ATOM 0 H THR A 14 44.843 56.504 22.307 1.00 0.00 H new ATOM 0 HA THR A 14 42.637 55.047 23.600 1.00 0.00 H new ATOM 0 HB THR A 14 42.717 57.763 22.327 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.499 58.478 24.558 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.509 58.071 23.464 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.469 56.732 22.293 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.588 56.388 24.035 1.00 0.00 H new ATOM 237 N LEU A 15 41.640 54.233 21.444 1.00 0.00 N ATOM 238 CA LEU A 15 41.189 53.560 20.243 1.00 0.00 C ATOM 239 C LEU A 15 39.665 53.423 20.208 1.00 0.00 C ATOM 240 O LEU A 15 39.054 53.100 21.224 1.00 0.00 O ATOM 241 CB LEU A 15 41.808 52.168 20.153 1.00 0.00 C ATOM 242 CG LEU A 15 43.327 52.065 20.239 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.742 50.596 20.272 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.045 52.703 19.055 1.00 0.00 C ATOM 0 H LEU A 15 41.218 53.856 22.293 1.00 0.00 H new ATOM 0 HA LEU A 15 41.505 54.169 19.396 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.384 51.559 20.952 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.494 51.721 19.210 1.00 0.00 H new ATOM 0 HG LEU A 15 43.610 52.598 21.147 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.828 50.526 20.333 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.297 50.112 21.141 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.397 50.100 19.365 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.122 52.594 19.181 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.735 52.210 18.133 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.791 53.762 19.003 1.00 0.00 H new ATOM 256 N GLU A 16 39.058 53.567 19.034 1.00 0.00 N ATOM 257 CA GLU A 16 37.684 53.189 18.779 1.00 0.00 C ATOM 258 C GLU A 16 37.629 51.783 18.178 1.00 0.00 C ATOM 259 O GLU A 16 38.270 51.522 17.163 1.00 0.00 O ATOM 260 CB GLU A 16 37.043 54.230 17.865 1.00 0.00 C ATOM 261 CG GLU A 16 35.532 54.087 17.700 1.00 0.00 C ATOM 262 CD GLU A 16 34.722 54.535 18.918 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.077 55.550 19.556 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.682 53.900 19.193 1.00 0.00 O ATOM 0 H GLU A 16 39.525 53.960 18.217 1.00 0.00 H new ATOM 0 HA GLU A 16 37.120 53.161 19.711 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.260 55.223 18.259 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.510 54.168 16.882 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.216 54.668 16.834 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.298 53.044 17.486 1.00 0.00 H new ATOM 271 N VAL A 17 36.890 50.863 18.792 1.00 0.00 N ATOM 272 CA VAL A 17 36.756 49.475 18.400 1.00 0.00 C ATOM 273 C VAL A 17 35.302 49.007 18.499 1.00 0.00 C ATOM 274 O VAL A 17 34.513 49.565 19.258 1.00 0.00 O ATOM 275 CB VAL A 17 37.648 48.557 19.231 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.121 48.947 19.155 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.242 48.499 20.701 1.00 0.00 C ATOM 0 H VAL A 17 36.340 51.085 19.622 1.00 0.00 H new ATOM 0 HA VAL A 17 37.078 49.415 17.361 1.00 0.00 H new ATOM 0 HB VAL A 17 37.510 47.571 18.787 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.711 48.262 19.764 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.458 48.895 18.120 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.248 49.964 19.527 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.914 47.830 21.238 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.301 49.497 21.134 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.220 48.128 20.782 1.00 0.00 H new ATOM 287 N GLU A 18 34.941 47.955 17.770 1.00 0.00 N ATOM 288 CA GLU A 18 33.641 47.319 17.843 1.00 0.00 C ATOM 289 C GLU A 18 33.749 45.987 18.587 1.00 0.00 C ATOM 290 O GLU A 18 34.724 45.271 18.368 1.00 0.00 O ATOM 291 CB GLU A 18 33.120 47.159 16.417 1.00 0.00 C ATOM 292 CG GLU A 18 31.714 46.582 16.283 1.00 0.00 C ATOM 293 CD GLU A 18 30.596 47.439 16.881 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.498 46.877 17.078 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.792 48.638 17.181 1.00 0.00 O ATOM 0 H GLU A 18 35.566 47.514 17.095 1.00 0.00 H new ATOM 0 HA GLU A 18 32.932 47.926 18.406 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.139 48.135 15.932 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.809 46.517 15.869 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.503 46.425 15.225 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.694 45.603 16.761 1.00 0.00 H new ATOM 302 N PRO A 19 32.793 45.571 19.414 1.00 0.00 N ATOM 303 CA PRO A 19 32.844 44.280 20.072 1.00 0.00 C ATOM 304 C PRO A 19 32.922 43.061 19.151 1.00 0.00 C ATOM 305 O PRO A 19 33.298 41.978 19.592 1.00 0.00 O ATOM 306 CB PRO A 19 31.621 44.225 20.981 1.00 0.00 C ATOM 307 CG PRO A 19 31.317 45.691 21.271 1.00 0.00 C ATOM 308 CD PRO A 19 31.715 46.368 19.963 1.00 0.00 C ATOM 0 HA PRO A 19 33.783 44.211 20.621 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.781 43.731 20.492 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.828 43.671 21.896 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.265 45.849 21.508 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.894 46.067 22.116 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.872 46.412 19.274 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.038 47.394 20.137 1.00 0.00 H new ATOM 316 N SER A 20 32.598 43.225 17.872 1.00 0.00 N ATOM 317 CA SER A 20 32.753 42.248 16.814 1.00 0.00 C ATOM 318 C SER A 20 34.191 42.062 16.325 1.00 0.00 C ATOM 319 O SER A 20 34.455 41.117 15.586 1.00 0.00 O ATOM 320 CB SER A 20 31.914 42.661 15.608 1.00 0.00 C ATOM 321 OG SER A 20 30.586 42.991 15.953 1.00 0.00 O ATOM 0 H SER A 20 32.196 44.099 17.532 1.00 0.00 H new ATOM 0 HA SER A 20 32.428 41.303 17.249 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.382 43.517 15.122 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.905 41.848 14.882 1.00 0.00 H new ATOM 0 HG SER A 20 30.093 43.250 15.146 1.00 0.00 H new ATOM 327 N ASP A 21 35.114 42.953 16.676 1.00 0.00 N ATOM 328 CA ASP A 21 36.499 42.918 16.252 1.00 0.00 C ATOM 329 C ASP A 21 37.279 41.783 16.919 1.00 0.00 C ATOM 330 O ASP A 21 36.954 41.375 18.032 1.00 0.00 O ATOM 331 CB ASP A 21 37.179 44.254 16.537 1.00 0.00 C ATOM 332 CG ASP A 21 36.667 45.433 15.707 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.149 45.220 14.591 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.880 46.592 16.123 1.00 0.00 O ATOM 0 H ASP A 21 34.905 43.744 17.285 1.00 0.00 H new ATOM 0 HA ASP A 21 36.500 42.733 15.178 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.052 44.491 17.593 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.249 44.144 16.362 1.00 0.00 H new ATOM 339 N THR A 22 38.331 41.292 16.271 1.00 0.00 N ATOM 340 CA THR A 22 39.222 40.284 16.809 1.00 0.00 C ATOM 341 C THR A 22 40.523 40.879 17.354 1.00 0.00 C ATOM 342 O THR A 22 40.816 42.057 17.162 1.00 0.00 O ATOM 343 CB THR A 22 39.494 39.149 15.826 1.00 0.00 C ATOM 344 OG1 THR A 22 40.344 39.529 14.768 1.00 0.00 O ATOM 345 CG2 THR A 22 38.221 38.552 15.229 1.00 0.00 C ATOM 0 H THR A 22 38.589 41.596 15.332 1.00 0.00 H new ATOM 0 HA THR A 22 38.692 39.847 17.655 1.00 0.00 H new ATOM 0 HB THR A 22 39.991 38.391 16.431 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.019 40.364 14.371 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.484 37.750 14.539 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.597 38.152 16.028 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.672 39.327 14.693 1.00 0.00 H new ATOM 353 N ILE A 23 41.329 40.060 18.022 1.00 0.00 N ATOM 354 CA ILE A 23 42.593 40.474 18.597 1.00 0.00 C ATOM 355 C ILE A 23 43.541 41.011 17.523 1.00 0.00 C ATOM 356 O ILE A 23 44.173 42.045 17.728 1.00 0.00 O ATOM 357 CB ILE A 23 43.214 39.348 19.420 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.282 38.769 20.481 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.509 39.798 20.088 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.613 39.785 21.402 1.00 0.00 C ATOM 0 H ILE A 23 41.114 39.075 18.179 1.00 0.00 H new ATOM 0 HA ILE A 23 42.404 41.299 19.284 1.00 0.00 H new ATOM 0 HB ILE A 23 43.418 38.556 18.700 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.504 38.194 19.979 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.850 38.070 21.094 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.926 38.973 20.666 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.225 40.104 19.325 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.303 40.638 20.751 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.974 39.264 22.115 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.377 40.346 21.941 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.009 40.472 20.809 1.00 0.00 H new ATOM 372 N GLU A 24 43.575 40.401 16.341 1.00 0.00 N ATOM 373 CA GLU A 24 44.351 40.909 15.228 1.00 0.00 C ATOM 374 C GLU A 24 43.900 42.283 14.727 1.00 0.00 C ATOM 375 O GLU A 24 44.753 43.064 14.315 1.00 0.00 O ATOM 376 CB GLU A 24 44.365 39.894 14.089 1.00 0.00 C ATOM 377 CG GLU A 24 45.342 38.758 14.375 1.00 0.00 C ATOM 378 CD GLU A 24 45.568 37.885 13.138 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.386 38.269 12.274 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.920 36.823 13.016 1.00 0.00 O ATOM 0 H GLU A 24 43.064 39.543 16.134 1.00 0.00 H new ATOM 0 HA GLU A 24 45.363 41.055 15.605 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.363 39.489 13.947 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.642 40.391 13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.294 39.171 14.708 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.958 38.144 15.190 1.00 0.00 H new ATOM 387 N ASN A 25 42.617 42.625 14.807 1.00 0.00 N ATOM 388 CA ASN A 25 42.144 43.941 14.427 1.00 0.00 C ATOM 389 C ASN A 25 42.683 45.026 15.362 1.00 0.00 C ATOM 390 O ASN A 25 43.254 46.012 14.902 1.00 0.00 O ATOM 391 CB ASN A 25 40.620 43.999 14.361 1.00 0.00 C ATOM 392 CG ASN A 25 39.985 43.098 13.300 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.186 42.213 13.599 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.314 43.305 12.028 1.00 0.00 N ATOM 0 H ASN A 25 41.884 41.997 15.136 1.00 0.00 H new ATOM 0 HA ASN A 25 42.530 44.135 13.426 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.218 43.725 15.337 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.318 45.029 14.170 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.903 42.728 11.294 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.978 44.041 11.786 1.00 0.00 H new ATOM 401 N VAL A 26 42.568 44.834 16.672 1.00 0.00 N ATOM 402 CA VAL A 26 43.047 45.815 17.626 1.00 0.00 C ATOM 403 C VAL A 26 44.575 45.900 17.636 1.00 0.00 C ATOM 404 O VAL A 26 45.105 47.007 17.689 1.00 0.00 O ATOM 405 CB VAL A 26 42.421 45.634 19.005 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.777 44.319 19.694 1.00 0.00 C ATOM 407 CG2 VAL A 26 42.763 46.794 19.936 1.00 0.00 C ATOM 0 H VAL A 26 42.146 44.006 17.093 1.00 0.00 H new ATOM 0 HA VAL A 26 42.706 46.795 17.291 1.00 0.00 H new ATOM 0 HB VAL A 26 41.349 45.613 18.811 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.289 44.275 20.668 1.00 0.00 H new ATOM 0 HG12 VAL A 26 42.439 43.484 19.081 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.857 44.258 19.826 1.00 0.00 H new ATOM 0 HG21 VAL A 26 42.299 46.629 20.908 1.00 0.00 H new ATOM 0 HG22 VAL A 26 43.845 46.858 20.056 1.00 0.00 H new ATOM 0 HG23 VAL A 26 42.390 47.725 19.509 1.00 0.00 H new ATOM 417 N LYS A 27 45.301 44.800 17.458 1.00 0.00 N ATOM 418 CA LYS A 27 46.744 44.820 17.328 1.00 0.00 C ATOM 419 C LYS A 27 47.228 45.619 16.116 1.00 0.00 C ATOM 420 O LYS A 27 48.226 46.326 16.231 1.00 0.00 O ATOM 421 CB LYS A 27 47.297 43.398 17.291 1.00 0.00 C ATOM 422 CG LYS A 27 47.254 42.711 18.653 1.00 0.00 C ATOM 423 CD LYS A 27 47.797 41.289 18.544 1.00 0.00 C ATOM 424 CE LYS A 27 47.942 40.665 19.928 1.00 0.00 C ATOM 425 NZ LYS A 27 48.253 39.231 19.822 1.00 0.00 N ATOM 0 H LYS A 27 44.896 43.866 17.400 1.00 0.00 H new ATOM 0 HA LYS A 27 47.129 45.333 18.209 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.725 42.809 16.574 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.327 43.423 16.934 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.843 43.279 19.373 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.230 42.689 19.025 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.127 40.683 17.934 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.764 41.300 18.041 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.732 41.174 20.481 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.019 40.801 20.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.987 38.752 20.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.720 38.818 19.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.272 39.108 19.655 1.00 0.00 H new ATOM 439 N ALA A 28 46.521 45.576 14.991 1.00 0.00 N ATOM 440 CA ALA A 28 46.830 46.400 13.839 1.00 0.00 C ATOM 441 C ALA A 28 46.565 47.889 14.067 1.00 0.00 C ATOM 442 O ALA A 28 47.331 48.722 13.586 1.00 0.00 O ATOM 443 CB ALA A 28 46.060 45.881 12.627 1.00 0.00 C ATOM 0 H ALA A 28 45.716 44.965 14.857 1.00 0.00 H new ATOM 0 HA ALA A 28 47.902 46.322 13.659 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.290 46.498 11.758 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.350 44.850 12.426 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.990 45.924 12.830 1.00 0.00 H new ATOM 449 N LYS A 29 45.541 48.243 14.839 1.00 0.00 N ATOM 450 CA LYS A 29 45.256 49.612 15.220 1.00 0.00 C ATOM 451 C LYS A 29 46.248 50.147 16.254 1.00 0.00 C ATOM 452 O LYS A 29 46.601 51.323 16.196 1.00 0.00 O ATOM 453 CB LYS A 29 43.806 49.723 15.683 1.00 0.00 C ATOM 454 CG LYS A 29 42.820 49.492 14.542 1.00 0.00 C ATOM 455 CD LYS A 29 41.383 49.422 15.050 1.00 0.00 C ATOM 456 CE LYS A 29 40.378 49.073 13.957 1.00 0.00 C ATOM 457 NZ LYS A 29 40.119 50.184 13.028 1.00 0.00 N ATOM 0 H LYS A 29 44.877 47.569 15.221 1.00 0.00 H new ATOM 0 HA LYS A 29 45.384 50.249 14.345 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.622 48.996 16.474 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.638 50.710 16.113 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.910 50.297 13.813 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.070 48.565 14.026 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.320 48.678 15.844 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.113 50.382 15.491 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.747 48.216 13.394 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.439 48.769 14.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.429 49.883 12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.739 50.996 13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.006 50.460 12.561 1.00 0.00 H new ATOM 471 N ILE A 30 46.768 49.302 17.139 1.00 0.00 N ATOM 472 CA ILE A 30 47.889 49.594 18.009 1.00 0.00 C ATOM 473 C ILE A 30 49.161 49.815 17.187 1.00 0.00 C ATOM 474 O ILE A 30 49.898 50.762 17.453 1.00 0.00 O ATOM 475 CB ILE A 30 48.059 48.494 19.052 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.888 48.496 20.031 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.378 48.621 19.810 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.813 47.253 20.914 1.00 0.00 C ATOM 0 H ILE A 30 46.401 48.359 17.270 1.00 0.00 H new ATOM 0 HA ILE A 30 47.688 50.520 18.549 1.00 0.00 H new ATOM 0 HB ILE A 30 48.076 47.545 18.517 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.962 49.377 20.668 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.958 48.586 19.469 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.456 47.817 20.542 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.209 48.554 19.108 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.412 49.583 20.322 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.954 47.332 21.581 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.706 46.368 20.287 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.725 47.171 21.505 1.00 0.00 H new ATOM 490 N GLN A 31 49.406 49.015 16.152 1.00 0.00 N ATOM 491 CA GLN A 31 50.501 49.229 15.227 1.00 0.00 C ATOM 492 C GLN A 31 50.374 50.564 14.490 1.00 0.00 C ATOM 493 O GLN A 31 51.374 51.260 14.327 1.00 0.00 O ATOM 494 CB GLN A 31 50.605 48.053 14.260 1.00 0.00 C ATOM 495 CG GLN A 31 51.821 48.161 13.344 1.00 0.00 C ATOM 496 CD GLN A 31 52.023 46.941 12.444 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.172 46.065 12.305 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.183 46.830 11.804 1.00 0.00 N ATOM 0 H GLN A 31 48.841 48.194 15.935 1.00 0.00 H new ATOM 0 HA GLN A 31 51.427 49.284 15.800 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.661 47.124 14.827 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.700 48.003 13.654 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.717 49.049 12.720 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.713 48.303 13.954 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.896 47.551 11.912 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.360 46.024 11.205 1.00 0.00 H new ATOM 507 N ASP A 32 49.170 50.986 14.113 1.00 0.00 N ATOM 508 CA ASP A 32 48.935 52.300 13.550 1.00 0.00 C ATOM 509 C ASP A 32 49.271 53.444 14.507 1.00 0.00 C ATOM 510 O ASP A 32 49.767 54.476 14.060 1.00 0.00 O ATOM 511 CB ASP A 32 47.510 52.375 13.010 1.00 0.00 C ATOM 512 CG ASP A 32 47.147 53.779 12.522 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.706 54.240 11.502 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.298 54.426 13.172 1.00 0.00 O ATOM 0 H ASP A 32 48.328 50.416 14.193 1.00 0.00 H new ATOM 0 HA ASP A 32 49.628 52.438 12.720 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.397 51.667 12.189 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.812 52.072 13.790 1.00 0.00 H new ATOM 519 N LYS A 33 49.082 53.277 15.813 1.00 0.00 N ATOM 520 CA LYS A 33 49.488 54.245 16.811 1.00 0.00 C ATOM 521 C LYS A 33 50.993 54.259 17.089 1.00 0.00 C ATOM 522 O LYS A 33 51.577 55.341 17.117 1.00 0.00 O ATOM 523 CB LYS A 33 48.707 54.069 18.110 1.00 0.00 C ATOM 524 CG LYS A 33 47.219 54.403 18.048 1.00 0.00 C ATOM 525 CD LYS A 33 46.918 55.824 17.579 1.00 0.00 C ATOM 526 CE LYS A 33 45.425 56.120 17.698 1.00 0.00 C ATOM 527 NZ LYS A 33 45.076 57.378 17.022 1.00 0.00 N ATOM 0 H LYS A 33 48.635 52.450 16.208 1.00 0.00 H new ATOM 0 HA LYS A 33 49.248 55.217 16.379 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.813 53.035 18.437 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.168 54.694 18.875 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.727 53.699 17.377 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.784 54.258 19.037 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.485 56.538 18.176 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.238 55.948 16.544 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.853 55.300 17.263 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.146 56.180 18.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.055 57.553 17.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.605 58.163 17.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.321 57.310 16.014 1.00 0.00 H new ATOM 541 N GLU A 34 51.624 53.105 17.288 1.00 0.00 N ATOM 542 CA GLU A 34 52.959 53.014 17.845 1.00 0.00 C ATOM 543 C GLU A 34 54.046 52.430 16.940 1.00 0.00 C ATOM 544 O GLU A 34 55.217 52.482 17.308 1.00 0.00 O ATOM 545 CB GLU A 34 52.895 52.233 19.155 1.00 0.00 C ATOM 546 CG GLU A 34 52.377 53.062 20.327 1.00 0.00 C ATOM 547 CD GLU A 34 53.337 54.203 20.663 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.479 53.940 21.097 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.990 55.384 20.442 1.00 0.00 O ATOM 0 H GLU A 34 51.213 52.199 17.062 1.00 0.00 H new ATOM 0 HA GLU A 34 53.273 54.047 17.991 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.251 51.364 19.021 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.890 51.858 19.396 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.396 53.469 20.083 1.00 0.00 H new ATOM 0 HG3 GLU A 34 52.249 52.422 21.200 1.00 0.00 H new ATOM 556 N GLY A 35 53.710 51.864 15.785 1.00 0.00 N ATOM 557 CA GLY A 35 54.667 51.261 14.881 1.00 0.00 C ATOM 558 C GLY A 35 55.250 49.933 15.370 1.00 0.00 C ATOM 559 O GLY A 35 56.422 49.654 15.132 1.00 0.00 O ATOM 0 H GLY A 35 52.748 51.814 15.451 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.185 51.099 13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.484 51.963 14.715 1.00 0.00 H new ATOM 563 N ILE A 36 54.485 49.160 16.136 1.00 0.00 N ATOM 564 CA ILE A 36 54.886 47.921 16.770 1.00 0.00 C ATOM 565 C ILE A 36 54.141 46.764 16.102 1.00 0.00 C ATOM 566 O ILE A 36 52.919 46.719 16.219 1.00 0.00 O ATOM 567 CB ILE A 36 54.641 47.992 18.275 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.448 49.123 18.905 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.980 46.667 18.952 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.150 49.378 20.380 1.00 0.00 C ATOM 0 H ILE A 36 53.515 49.401 16.338 1.00 0.00 H new ATOM 0 HA ILE A 36 55.955 47.753 16.641 1.00 0.00 H new ATOM 0 HB ILE A 36 53.580 48.194 18.425 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.509 48.897 18.797 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.259 50.040 18.347 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.796 46.748 20.023 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.357 45.876 18.535 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.030 46.430 18.782 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.771 50.199 20.740 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.098 49.639 20.499 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.368 48.479 20.956 1.00 0.00 H new ATOM 582 N PRO A 37 54.807 45.842 15.411 1.00 0.00 N ATOM 583 CA PRO A 37 54.163 44.775 14.671 1.00 0.00 C ATOM 584 C PRO A 37 53.467 43.774 15.594 1.00 0.00 C ATOM 585 O PRO A 37 53.893 43.591 16.732 1.00 0.00 O ATOM 586 CB PRO A 37 55.255 44.131 13.823 1.00 0.00 C ATOM 587 CG PRO A 37 56.525 44.382 14.633 1.00 0.00 C ATOM 588 CD PRO A 37 56.245 45.744 15.263 1.00 0.00 C ATOM 0 HA PRO A 37 53.364 45.161 14.038 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.075 43.066 13.677 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.314 44.583 12.833 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.686 43.611 15.386 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.413 44.401 14.001 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.741 45.834 16.229 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.626 46.548 14.633 1.00 0.00 H new ATOM 596 N PRO A 38 52.415 43.097 15.139 1.00 0.00 N ATOM 597 CA PRO A 38 51.563 42.302 15.999 1.00 0.00 C ATOM 598 C PRO A 38 52.292 41.089 16.579 1.00 0.00 C ATOM 599 O PRO A 38 52.036 40.720 17.723 1.00 0.00 O ATOM 600 CB PRO A 38 50.367 41.924 15.129 1.00 0.00 C ATOM 601 CG PRO A 38 50.959 41.875 13.724 1.00 0.00 C ATOM 602 CD PRO A 38 51.936 43.046 13.772 1.00 0.00 C ATOM 0 HA PRO A 38 51.246 42.856 16.883 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.944 40.963 15.421 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.567 42.660 15.203 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.461 40.929 13.522 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.200 42.004 12.953 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.759 42.899 13.073 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.445 43.978 13.494 1.00 0.00 H new ATOM 610 N ASP A 39 53.262 40.520 15.868 1.00 0.00 N ATOM 611 CA ASP A 39 54.132 39.465 16.348 1.00 0.00 C ATOM 612 C ASP A 39 55.212 39.925 17.330 1.00 0.00 C ATOM 613 O ASP A 39 56.063 39.130 17.722 1.00 0.00 O ATOM 614 CB ASP A 39 54.680 38.670 15.165 1.00 0.00 C ATOM 615 CG ASP A 39 55.341 39.541 14.096 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.604 40.130 13.276 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.588 39.626 14.049 1.00 0.00 O ATOM 0 H ASP A 39 53.466 40.795 14.907 1.00 0.00 H new ATOM 0 HA ASP A 39 53.522 38.798 16.958 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.406 37.944 15.531 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.867 38.105 14.710 1.00 0.00 H new ATOM 622 N GLN A 40 55.175 41.177 17.777 1.00 0.00 N ATOM 623 CA GLN A 40 55.913 41.716 18.900 1.00 0.00 C ATOM 624 C GLN A 40 55.021 42.075 20.089 1.00 0.00 C ATOM 625 O GLN A 40 55.539 42.350 21.169 1.00 0.00 O ATOM 626 CB GLN A 40 56.763 42.881 18.398 1.00 0.00 C ATOM 627 CG GLN A 40 57.911 43.298 19.313 1.00 0.00 C ATOM 628 CD GLN A 40 58.782 44.380 18.672 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.326 45.452 18.282 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.085 44.165 18.516 1.00 0.00 N ATOM 0 H GLN A 40 54.589 41.882 17.331 1.00 0.00 H new ATOM 0 HA GLN A 40 56.573 40.947 19.302 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.175 42.614 17.425 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.113 43.742 18.244 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.509 43.667 20.257 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.525 42.428 19.546 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.498 43.286 18.828 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.672 44.879 18.084 1.00 0.00 H new ATOM 639 N GLN A 41 53.699 42.018 19.950 1.00 0.00 N ATOM 640 CA GLN A 41 52.727 42.380 20.961 1.00 0.00 C ATOM 641 C GLN A 41 52.182 41.173 21.727 1.00 0.00 C ATOM 642 O GLN A 41 52.008 40.100 21.153 1.00 0.00 O ATOM 643 CB GLN A 41 51.561 43.135 20.331 1.00 0.00 C ATOM 644 CG GLN A 41 51.902 44.428 19.595 1.00 0.00 C ATOM 645 CD GLN A 41 50.667 45.085 18.975 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.572 45.057 19.532 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.754 45.697 17.796 1.00 0.00 N ATOM 0 H GLN A 41 53.262 41.702 19.084 1.00 0.00 H new ATOM 0 HA GLN A 41 53.252 43.015 21.674 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.061 42.466 19.631 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.843 43.369 21.117 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.372 45.125 20.288 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.630 44.217 18.812 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.648 45.738 17.307 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.926 46.125 17.381 1.00 0.00 H new ATOM 656 N ARG A 42 51.817 41.364 22.991 1.00 0.00 N ATOM 657 CA ARG A 42 50.841 40.581 23.723 1.00 0.00 C ATOM 658 C ARG A 42 49.932 41.506 24.535 1.00 0.00 C ATOM 659 O ARG A 42 50.414 42.495 25.084 1.00 0.00 O ATOM 660 CB ARG A 42 51.494 39.569 24.659 1.00 0.00 C ATOM 661 CG ARG A 42 52.331 38.515 23.938 1.00 0.00 C ATOM 662 CD ARG A 42 52.780 37.367 24.838 1.00 0.00 C ATOM 663 NE ARG A 42 53.541 37.822 26.003 1.00 0.00 N ATOM 664 CZ ARG A 42 53.132 37.858 27.278 1.00 0.00 C ATOM 665 NH1 ARG A 42 51.944 37.389 27.684 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.918 38.397 28.221 1.00 0.00 N ATOM 0 H ARG A 42 52.219 42.111 23.558 1.00 0.00 H new ATOM 0 HA ARG A 42 50.257 40.027 22.987 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.128 40.101 25.368 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.717 39.069 25.238 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.752 38.109 23.108 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.211 38.994 23.509 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.904 36.813 25.176 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.391 36.675 24.259 1.00 0.00 H new ATOM 0 HE ARG A 42 54.490 38.149 25.823 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.300 36.979 27.008 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.684 37.442 28.669 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.829 38.780 27.968 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.605 38.424 29.191 1.00 0.00 H new ATOM 680 N LEU A 43 48.641 41.199 24.616 1.00 0.00 N ATOM 681 CA LEU A 43 47.648 42.023 25.275 1.00 0.00 C ATOM 682 C LEU A 43 47.052 41.348 26.512 1.00 0.00 C ATOM 683 O LEU A 43 46.855 40.135 26.525 1.00 0.00 O ATOM 684 CB LEU A 43 46.569 42.440 24.278 1.00 0.00 C ATOM 685 CG LEU A 43 47.049 43.204 23.048 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.862 43.534 22.147 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.762 44.510 23.389 1.00 0.00 C ATOM 0 H LEU A 43 48.252 40.347 24.213 1.00 0.00 H new ATOM 0 HA LEU A 43 48.148 42.920 25.639 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.047 41.544 23.943 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.839 43.057 24.801 1.00 0.00 H new ATOM 0 HG LEU A 43 47.763 42.552 22.546 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.211 44.080 21.270 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.378 42.610 21.830 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.148 44.148 22.696 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.077 45.003 22.470 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.083 45.163 23.937 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.636 44.297 24.005 1.00 0.00 H new ATOM 699 N ILE A 44 46.765 42.129 27.549 1.00 0.00 N ATOM 700 CA ILE A 44 46.276 41.704 28.845 1.00 0.00 C ATOM 701 C ILE A 44 45.056 42.532 29.252 1.00 0.00 C ATOM 702 O ILE A 44 45.011 43.740 29.028 1.00 0.00 O ATOM 703 CB ILE A 44 47.406 41.758 29.868 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.492 40.730 29.558 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.907 41.565 31.297 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.790 40.910 30.337 1.00 0.00 C ATOM 0 H ILE A 44 46.877 43.141 27.497 1.00 0.00 H new ATOM 0 HA ILE A 44 45.942 40.668 28.795 1.00 0.00 H new ATOM 0 HB ILE A 44 47.833 42.758 29.793 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.098 39.734 29.763 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.717 40.771 28.492 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.750 41.612 31.986 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.193 42.351 31.543 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.421 40.593 31.384 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.498 40.133 30.048 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.215 41.889 30.115 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.586 40.836 31.405 1.00 0.00 H new ATOM 718 N PHE A 45 44.070 41.892 29.875 1.00 0.00 N ATOM 719 CA PHE A 45 42.852 42.486 30.389 1.00 0.00 C ATOM 720 C PHE A 45 42.416 41.828 31.700 1.00 0.00 C ATOM 721 O PHE A 45 42.221 40.616 31.757 1.00 0.00 O ATOM 722 CB PHE A 45 41.768 42.332 29.325 1.00 0.00 C ATOM 723 CG PHE A 45 40.385 42.798 29.712 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.185 44.072 30.257 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.285 41.955 29.514 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.900 44.493 30.620 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.996 42.377 29.863 1.00 0.00 C ATOM 728 CZ PHE A 45 37.805 43.643 30.428 1.00 0.00 C ATOM 0 H PHE A 45 44.108 40.886 30.041 1.00 0.00 H new ATOM 0 HA PHE A 45 43.025 43.540 30.607 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.079 42.882 28.437 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.710 41.280 29.045 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.027 44.734 30.398 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.431 40.973 29.089 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.754 45.474 31.048 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.150 41.726 29.696 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.814 43.963 30.715 1.00 0.00 H new ATOM 738 N ALA A 46 42.245 42.622 32.753 1.00 0.00 N ATOM 739 CA ALA A 46 41.858 42.192 34.082 1.00 0.00 C ATOM 740 C ALA A 46 42.635 40.971 34.579 1.00 0.00 C ATOM 741 O ALA A 46 42.069 39.959 34.985 1.00 0.00 O ATOM 742 CB ALA A 46 40.339 42.079 34.148 1.00 0.00 C ATOM 0 H ALA A 46 42.381 43.631 32.694 1.00 0.00 H new ATOM 0 HA ALA A 46 42.151 42.952 34.807 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.041 41.756 35.145 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.892 43.050 33.933 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.996 41.351 33.413 1.00 0.00 H new ATOM 748 N GLY A 47 43.959 41.042 34.478 1.00 0.00 N ATOM 749 CA GLY A 47 44.889 40.004 34.879 1.00 0.00 C ATOM 750 C GLY A 47 44.973 38.762 33.991 1.00 0.00 C ATOM 751 O GLY A 47 45.729 37.852 34.325 1.00 0.00 O ATOM 0 H GLY A 47 44.429 41.863 34.097 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.884 40.446 34.938 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.623 39.682 35.886 1.00 0.00 H new ATOM 755 N LYS A 48 44.241 38.693 32.883 1.00 0.00 N ATOM 756 CA LYS A 48 44.249 37.594 31.939 1.00 0.00 C ATOM 757 C LYS A 48 44.808 38.010 30.577 1.00 0.00 C ATOM 758 O LYS A 48 44.530 39.106 30.096 1.00 0.00 O ATOM 759 CB LYS A 48 42.852 37.007 31.765 1.00 0.00 C ATOM 760 CG LYS A 48 42.193 36.478 33.036 1.00 0.00 C ATOM 761 CD LYS A 48 42.973 35.342 33.691 1.00 0.00 C ATOM 762 CE LYS A 48 42.290 34.892 34.980 1.00 0.00 C ATOM 763 NZ LYS A 48 43.148 33.976 35.748 1.00 0.00 N ATOM 0 H LYS A 48 43.599 39.438 32.612 1.00 0.00 H new ATOM 0 HA LYS A 48 44.906 36.831 32.356 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.207 37.773 31.335 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.907 36.194 31.041 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.087 37.295 33.749 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.188 36.130 32.798 1.00 0.00 H new ATOM 0 HD2 LYS A 48 43.049 34.501 33.001 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.990 35.670 33.908 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.048 35.763 35.589 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.348 34.398 34.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 42.657 33.688 36.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.359 33.135 35.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 44.036 34.457 35.995 1.00 0.00 H new ATOM 777 N GLN A 49 45.553 37.118 29.931 1.00 0.00 N ATOM 778 CA GLN A 49 46.028 37.294 28.573 1.00 0.00 C ATOM 779 C GLN A 49 44.889 37.211 27.555 1.00 0.00 C ATOM 780 O GLN A 49 44.064 36.302 27.608 1.00 0.00 O ATOM 781 CB GLN A 49 47.122 36.256 28.336 1.00 0.00 C ATOM 782 CG GLN A 49 47.675 36.268 26.914 1.00 0.00 C ATOM 783 CD GLN A 49 48.941 35.420 26.772 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.977 35.922 26.342 1.00 0.00 O ATOM 785 NE2 GLN A 49 48.925 34.131 27.099 1.00 0.00 N ATOM 0 H GLN A 49 45.847 36.236 30.351 1.00 0.00 H new ATOM 0 HA GLN A 49 46.443 38.293 28.437 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.938 36.434 29.036 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.725 35.265 28.554 1.00 0.00 H new ATOM 0 HG2 GLN A 49 46.914 35.897 26.228 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.894 37.295 26.621 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.069 33.706 27.457 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.768 33.567 26.992 1.00 0.00 H new ATOM 794 N LEU A 50 44.870 38.128 26.593 1.00 0.00 N ATOM 795 CA LEU A 50 43.990 38.117 25.441 1.00 0.00 C ATOM 796 C LEU A 50 44.662 37.373 24.285 1.00 0.00 C ATOM 797 O LEU A 50 45.413 37.951 23.503 1.00 0.00 O ATOM 798 CB LEU A 50 43.624 39.548 25.052 1.00 0.00 C ATOM 799 CG LEU A 50 42.821 40.353 26.070 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.605 41.759 25.518 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.449 39.744 26.340 1.00 0.00 C ATOM 0 H LEU A 50 45.497 38.932 26.600 1.00 0.00 H new ATOM 0 HA LEU A 50 43.067 37.593 25.688 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.546 40.090 24.842 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.056 39.513 24.122 1.00 0.00 H new ATOM 0 HG LEU A 50 43.385 40.359 27.003 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.032 42.347 26.235 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.571 42.235 25.347 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.058 41.700 24.577 1.00 0.00 H new ATOM 0 HD21 LEU A 50 40.918 40.354 27.071 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.878 39.709 25.412 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.570 38.733 26.730 1.00 0.00 H new ATOM 813 N GLU A 51 44.414 36.070 24.193 1.00 0.00 N ATOM 814 CA GLU A 51 44.961 35.214 23.160 1.00 0.00 C ATOM 815 C GLU A 51 44.176 35.332 21.852 1.00 0.00 C ATOM 816 O GLU A 51 42.948 35.374 21.855 1.00 0.00 O ATOM 817 CB GLU A 51 45.013 33.763 23.625 1.00 0.00 C ATOM 818 CG GLU A 51 45.907 33.578 24.847 1.00 0.00 C ATOM 819 CD GLU A 51 46.091 32.097 25.186 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.804 31.391 24.442 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.534 31.643 26.210 1.00 0.00 O ATOM 0 H GLU A 51 43.813 35.575 24.852 1.00 0.00 H new ATOM 0 HA GLU A 51 45.979 35.551 22.966 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.005 33.423 23.861 1.00 0.00 H new ATOM 0 HB3 GLU A 51 45.379 33.136 22.812 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.880 34.034 24.660 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.471 34.097 25.701 1.00 0.00 H new ATOM 828 N ASP A 52 44.882 35.346 20.725 1.00 0.00 N ATOM 829 CA ASP A 52 44.336 35.528 19.395 1.00 0.00 C ATOM 830 C ASP A 52 43.376 34.417 18.966 1.00 0.00 C ATOM 831 O ASP A 52 43.435 33.294 19.463 1.00 0.00 O ATOM 832 CB ASP A 52 45.473 35.655 18.385 1.00 0.00 C ATOM 833 CG ASP A 52 46.500 36.720 18.775 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.422 37.865 18.279 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.419 36.409 19.563 1.00 0.00 O ATOM 0 H ASP A 52 45.895 35.225 20.720 1.00 0.00 H new ATOM 0 HA ASP A 52 43.747 36.445 19.424 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.975 34.692 18.287 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.058 35.899 17.407 1.00 0.00 H new ATOM 840 N GLY A 53 42.485 34.738 18.032 1.00 0.00 N ATOM 841 CA GLY A 53 41.469 33.846 17.511 1.00 0.00 C ATOM 842 C GLY A 53 40.091 33.968 18.163 1.00 0.00 C ATOM 843 O GLY A 53 39.252 33.098 17.939 1.00 0.00 O ATOM 0 H GLY A 53 42.455 35.664 17.605 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.363 34.028 16.442 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.817 32.820 17.626 1.00 0.00 H new ATOM 847 N ARG A 54 39.836 35.014 18.943 1.00 0.00 N ATOM 848 CA ARG A 54 38.573 35.369 19.558 1.00 0.00 C ATOM 849 C ARG A 54 38.254 36.852 19.361 1.00 0.00 C ATOM 850 O ARG A 54 39.130 37.631 18.995 1.00 0.00 O ATOM 851 CB ARG A 54 38.601 35.011 21.041 1.00 0.00 C ATOM 852 CG ARG A 54 38.219 33.562 21.334 1.00 0.00 C ATOM 853 CD ARG A 54 38.360 33.283 22.828 1.00 0.00 C ATOM 854 NE ARG A 54 37.979 31.917 23.189 1.00 0.00 N ATOM 855 CZ ARG A 54 38.714 30.809 23.022 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.903 30.804 22.404 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.296 29.615 23.464 1.00 0.00 N ATOM 0 H ARG A 54 40.569 35.684 19.176 1.00 0.00 H new ATOM 0 HA ARG A 54 37.781 34.800 19.071 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.601 35.199 21.431 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.920 35.672 21.577 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.194 33.375 21.015 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.858 32.886 20.766 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.393 33.459 23.130 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.741 33.987 23.384 1.00 0.00 H new ATOM 0 HE ARG A 54 37.059 31.796 23.612 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.289 31.673 22.034 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.422 29.932 22.304 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.398 29.534 23.941 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.876 28.788 23.323 1.00 0.00 H new ATOM 871 N THR A 55 37.006 37.240 19.613 1.00 0.00 N ATOM 872 CA THR A 55 36.535 38.608 19.545 1.00 0.00 C ATOM 873 C THR A 55 36.614 39.354 20.878 1.00 0.00 C ATOM 874 O THR A 55 36.684 38.749 21.945 1.00 0.00 O ATOM 875 CB THR A 55 35.123 38.731 18.981 1.00 0.00 C ATOM 876 OG1 THR A 55 34.189 38.112 19.836 1.00 0.00 O ATOM 877 CG2 THR A 55 34.966 38.126 17.588 1.00 0.00 C ATOM 0 H THR A 55 36.274 36.581 19.879 1.00 0.00 H new ATOM 0 HA THR A 55 37.229 39.083 18.851 1.00 0.00 H new ATOM 0 HB THR A 55 34.936 39.802 18.906 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.205 37.143 19.692 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.937 38.250 17.251 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.638 38.631 16.894 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.211 37.064 17.623 1.00 0.00 H new ATOM 885 N LEU A 56 36.544 40.682 20.837 1.00 0.00 N ATOM 886 CA LEU A 56 36.449 41.510 22.022 1.00 0.00 C ATOM 887 C LEU A 56 35.181 41.222 22.828 1.00 0.00 C ATOM 888 O LEU A 56 35.213 41.275 24.056 1.00 0.00 O ATOM 889 CB LEU A 56 36.536 42.984 21.638 1.00 0.00 C ATOM 890 CG LEU A 56 37.775 43.413 20.856 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.730 44.919 20.613 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.091 43.096 21.557 1.00 0.00 C ATOM 0 H LEU A 56 36.552 41.214 19.967 1.00 0.00 H new ATOM 0 HA LEU A 56 37.291 41.264 22.669 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.656 43.235 21.046 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.486 43.578 22.551 1.00 0.00 H new ATOM 0 HG LEU A 56 37.750 42.844 19.927 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.615 45.224 20.055 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.836 45.169 20.041 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.706 45.441 21.569 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.923 43.431 20.938 1.00 0.00 H new ATOM 0 HD22 LEU A 56 39.124 43.609 22.518 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.168 42.021 21.717 1.00 0.00 H new ATOM 904 N SER A 57 34.082 40.863 22.173 1.00 0.00 N ATOM 905 CA SER A 57 32.878 40.389 22.825 1.00 0.00 C ATOM 906 C SER A 57 33.020 39.002 23.458 1.00 0.00 C ATOM 907 O SER A 57 32.512 38.827 24.563 1.00 0.00 O ATOM 908 CB SER A 57 31.655 40.452 21.915 1.00 0.00 C ATOM 909 OG SER A 57 31.880 39.887 20.644 1.00 0.00 O ATOM 0 H SER A 57 34.007 40.896 21.156 1.00 0.00 H new ATOM 0 HA SER A 57 32.719 41.087 23.647 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.826 39.932 22.395 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.353 41.492 21.795 1.00 0.00 H new ATOM 0 HG SER A 57 32.353 40.532 20.078 1.00 0.00 H new ATOM 915 N ASP A 58 33.747 38.052 22.878 1.00 0.00 N ATOM 916 CA ASP A 58 34.041 36.790 23.526 1.00 0.00 C ATOM 917 C ASP A 58 34.815 36.967 24.832 1.00 0.00 C ATOM 918 O ASP A 58 34.575 36.233 25.789 1.00 0.00 O ATOM 919 CB ASP A 58 34.854 35.850 22.640 1.00 0.00 C ATOM 920 CG ASP A 58 34.158 35.409 21.350 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.018 34.898 21.387 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.773 35.583 20.276 1.00 0.00 O ATOM 0 H ASP A 58 34.147 38.141 21.944 1.00 0.00 H new ATOM 0 HA ASP A 58 33.062 36.356 23.729 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.791 36.342 22.379 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.110 34.962 23.218 1.00 0.00 H new ATOM 927 N TYR A 59 35.705 37.955 24.891 1.00 0.00 N ATOM 928 CA TYR A 59 36.434 38.356 26.077 1.00 0.00 C ATOM 929 C TYR A 59 35.696 39.358 26.967 1.00 0.00 C ATOM 930 O TYR A 59 36.223 39.733 28.012 1.00 0.00 O ATOM 931 CB TYR A 59 37.824 38.845 25.686 1.00 0.00 C ATOM 932 CG TYR A 59 38.781 37.761 25.250 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.194 36.796 26.177 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.318 37.761 23.958 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.137 35.825 25.820 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.288 36.818 23.598 1.00 0.00 C ATOM 937 CZ TYR A 59 40.696 35.840 24.527 1.00 0.00 C ATOM 938 OH TYR A 59 41.637 34.912 24.187 1.00 0.00 O ATOM 0 H TYR A 59 35.943 38.518 24.075 1.00 0.00 H new ATOM 0 HA TYR A 59 36.528 37.469 26.703 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.724 39.568 24.877 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.259 39.374 26.534 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.782 36.801 27.175 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.983 38.491 23.236 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.434 35.069 26.532 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.723 36.840 22.610 1.00 0.00 H new ATOM 0 HH TYR A 59 41.921 35.058 23.260 1.00 0.00 H new ATOM 948 N ASN A 60 34.468 39.743 26.633 1.00 0.00 N ATOM 949 CA ASN A 60 33.588 40.544 27.460 1.00 0.00 C ATOM 950 C ASN A 60 34.162 41.907 27.852 1.00 0.00 C ATOM 951 O ASN A 60 34.171 42.278 29.024 1.00 0.00 O ATOM 952 CB ASN A 60 33.098 39.678 28.617 1.00 0.00 C ATOM 953 CG ASN A 60 31.915 40.266 29.388 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.192 41.144 28.921 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.668 39.750 30.588 1.00 0.00 N ATOM 0 H ASN A 60 34.046 39.492 25.739 1.00 0.00 H new ATOM 0 HA ASN A 60 32.718 40.846 26.876 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.813 38.700 28.228 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.924 39.517 29.310 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.872 40.082 31.132 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.275 39.022 30.965 1.00 0.00 H new ATOM 962 N ILE A 61 34.666 42.650 26.871 1.00 0.00 N ATOM 963 CA ILE A 61 35.209 43.985 27.023 1.00 0.00 C ATOM 964 C ILE A 61 34.112 45.031 26.806 1.00 0.00 C ATOM 965 O ILE A 61 33.317 44.917 25.876 1.00 0.00 O ATOM 966 CB ILE A 61 36.404 44.168 26.092 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.543 43.219 26.457 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.923 45.602 26.109 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.569 43.017 25.346 1.00 0.00 C ATOM 0 H ILE A 61 34.706 42.318 25.907 1.00 0.00 H new ATOM 0 HA ILE A 61 35.575 44.125 28.040 1.00 0.00 H new ATOM 0 HB ILE A 61 36.050 43.936 25.088 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.052 43.603 27.341 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.122 42.251 26.728 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.774 45.689 25.433 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.132 46.279 25.786 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.235 45.864 27.120 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.344 42.330 25.687 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.076 42.602 24.467 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.021 43.975 25.090 1.00 0.00 H new ATOM 981 N GLN A 62 34.077 46.057 27.652 1.00 0.00 N ATOM 982 CA GLN A 62 33.130 47.154 27.627 1.00 0.00 C ATOM 983 C GLN A 62 33.746 48.505 27.258 1.00 0.00 C ATOM 984 O GLN A 62 34.963 48.674 27.255 1.00 0.00 O ATOM 985 CB GLN A 62 32.435 47.252 28.981 1.00 0.00 C ATOM 986 CG GLN A 62 31.373 46.175 29.185 1.00 0.00 C ATOM 987 CD GLN A 62 30.581 46.370 30.480 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.839 47.248 31.300 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.574 45.538 30.732 1.00 0.00 N ATOM 0 H GLN A 62 34.749 46.144 28.414 1.00 0.00 H new ATOM 0 HA GLN A 62 32.415 46.927 26.836 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.180 47.174 29.772 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.972 48.234 29.075 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.686 46.182 28.339 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.851 45.196 29.200 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.342 44.802 30.065 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.034 45.636 31.592 1.00 0.00 H new ATOM 998 N LYS A 63 32.899 49.501 27.015 1.00 0.00 N ATOM 999 CA LYS A 63 33.251 50.881 26.746 1.00 0.00 C ATOM 1000 C LYS A 63 34.069 51.508 27.878 1.00 0.00 C ATOM 1001 O LYS A 63 33.756 51.329 29.052 1.00 0.00 O ATOM 1002 CB LYS A 63 31.945 51.619 26.468 1.00 0.00 C ATOM 1003 CG LYS A 63 32.083 53.022 25.883 1.00 0.00 C ATOM 1004 CD LYS A 63 31.743 54.125 26.881 1.00 0.00 C ATOM 1005 CE LYS A 63 31.736 55.486 26.190 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.481 56.568 27.154 1.00 0.00 N ATOM 0 H LYS A 63 31.890 49.351 27.001 1.00 0.00 H new ATOM 0 HA LYS A 63 33.909 50.950 25.880 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.349 51.017 25.782 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.384 51.689 27.400 1.00 0.00 H new ATOM 0 HG2 LYS A 63 33.105 53.163 25.530 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.430 53.113 25.015 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.767 53.932 27.327 1.00 0.00 H new ATOM 0 HD3 LYS A 63 32.470 54.126 27.693 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.694 55.652 25.697 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.971 55.499 25.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.263 57.446 26.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.675 56.311 27.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.325 56.713 27.745 1.00 0.00 H new ATOM 1020 N GLU A 64 35.112 52.252 27.524 1.00 0.00 N ATOM 1021 CA GLU A 64 36.091 52.863 28.400 1.00 0.00 C ATOM 1022 C GLU A 64 36.917 51.897 29.251 1.00 0.00 C ATOM 1023 O GLU A 64 37.527 52.302 30.239 1.00 0.00 O ATOM 1024 CB GLU A 64 35.497 54.040 29.169 1.00 0.00 C ATOM 1025 CG GLU A 64 35.266 55.257 28.277 1.00 0.00 C ATOM 1026 CD GLU A 64 34.628 56.389 29.083 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.346 57.215 29.688 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.380 56.444 29.136 1.00 0.00 O ATOM 0 H GLU A 64 35.304 52.455 26.543 1.00 0.00 H new ATOM 0 HA GLU A 64 36.854 53.273 27.738 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.551 53.737 29.619 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.166 54.312 29.986 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.213 55.591 27.853 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.620 54.987 27.441 1.00 0.00 H new ATOM 1035 N SER A 65 37.002 50.626 28.865 1.00 0.00 N ATOM 1036 CA SER A 65 37.914 49.680 29.475 1.00 0.00 C ATOM 1037 C SER A 65 39.381 50.018 29.198 1.00 0.00 C ATOM 1038 O SER A 65 39.712 50.476 28.107 1.00 0.00 O ATOM 1039 CB SER A 65 37.677 48.252 28.992 1.00 0.00 C ATOM 1040 OG SER A 65 36.369 47.827 29.300 1.00 0.00 O ATOM 0 H SER A 65 36.435 50.228 28.116 1.00 0.00 H new ATOM 0 HA SER A 65 37.712 49.752 30.544 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.837 48.197 27.915 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.400 47.582 29.457 1.00 0.00 H new ATOM 0 HG SER A 65 35.725 48.342 28.770 1.00 0.00 H new ATOM 1046 N THR A 66 40.259 49.702 30.146 1.00 0.00 N ATOM 1047 CA THR A 66 41.698 49.733 29.979 1.00 0.00 C ATOM 1048 C THR A 66 42.246 48.325 29.739 1.00 0.00 C ATOM 1049 O THR A 66 42.085 47.428 30.564 1.00 0.00 O ATOM 1050 CB THR A 66 42.403 50.389 31.163 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.044 51.751 31.230 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.924 50.367 31.047 1.00 0.00 C ATOM 0 H THR A 66 39.973 49.408 31.080 1.00 0.00 H new ATOM 0 HA THR A 66 41.905 50.345 29.101 1.00 0.00 H new ATOM 0 HB THR A 66 42.097 49.820 32.041 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.496 52.171 31.991 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.363 50.849 31.921 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.270 49.335 30.990 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.228 50.901 30.147 1.00 0.00 H new ATOM 1060 N LEU A 67 42.939 48.161 28.615 1.00 0.00 N ATOM 1061 CA LEU A 67 43.764 47.016 28.292 1.00 0.00 C ATOM 1062 C LEU A 67 45.232 47.363 28.548 1.00 0.00 C ATOM 1063 O LEU A 67 45.605 48.533 28.578 1.00 0.00 O ATOM 1064 CB LEU A 67 43.546 46.584 26.845 1.00 0.00 C ATOM 1065 CG LEU A 67 42.108 46.522 26.336 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.093 45.992 24.905 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.201 45.625 27.173 1.00 0.00 C ATOM 0 H LEU A 67 42.936 48.861 27.873 1.00 0.00 H new ATOM 0 HA LEU A 67 43.482 46.177 28.929 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.101 47.268 26.203 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.990 45.597 26.718 1.00 0.00 H new ATOM 0 HG LEU A 67 41.724 47.540 26.399 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.065 45.949 24.544 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.675 46.655 24.265 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.528 44.993 24.882 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.196 45.630 26.752 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.591 44.607 27.169 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.167 45.996 28.197 1.00 0.00 H new ATOM 1079 N HIS A 68 46.091 46.357 28.688 1.00 0.00 N ATOM 1080 CA HIS A 68 47.516 46.522 28.887 1.00 0.00 C ATOM 1081 C HIS A 68 48.294 45.838 27.760 1.00 0.00 C ATOM 1082 O HIS A 68 47.942 44.735 27.346 1.00 0.00 O ATOM 1083 CB HIS A 68 47.919 45.976 30.254 1.00 0.00 C ATOM 1084 CG HIS A 68 47.366 46.767 31.408 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.098 47.652 32.199 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.076 46.729 31.868 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.240 48.143 33.095 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.016 47.617 32.924 1.00 0.00 N ATOM 0 H HIS A 68 45.800 45.380 28.665 1.00 0.00 H new ATOM 0 HA HIS A 68 47.761 47.584 28.861 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.580 44.943 30.337 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.007 45.961 30.323 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.268 46.125 31.482 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.495 48.866 33.855 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.187 47.835 33.477 1.00 0.00 H new ATOM 1096 N LEU A 69 49.361 46.474 27.285 1.00 0.00 N ATOM 1097 CA LEU A 69 50.295 45.935 26.319 1.00 0.00 C ATOM 1098 C LEU A 69 51.605 45.553 27.011 1.00 0.00 C ATOM 1099 O LEU A 69 52.158 46.334 27.782 1.00 0.00 O ATOM 1100 CB LEU A 69 50.498 46.967 25.214 1.00 0.00 C ATOM 1101 CG LEU A 69 51.619 46.706 24.212 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.389 45.464 23.355 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.762 47.893 23.265 1.00 0.00 C ATOM 0 H LEU A 69 49.603 47.420 27.580 1.00 0.00 H new ATOM 0 HA LEU A 69 49.902 45.024 25.868 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.564 47.056 24.660 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.683 47.933 25.684 1.00 0.00 H new ATOM 0 HG LEU A 69 52.518 46.552 24.809 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.224 45.338 22.665 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.314 44.587 23.998 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.465 45.579 22.789 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.565 47.697 22.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.827 48.042 22.725 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.997 48.790 23.838 1.00 0.00 H new ATOM 1115 N VAL A 70 52.148 44.389 26.668 1.00 0.00 N ATOM 1116 CA VAL A 70 53.530 44.026 26.910 1.00 0.00 C ATOM 1117 C VAL A 70 54.170 43.534 25.610 1.00 0.00 C ATOM 1118 O VAL A 70 53.529 42.857 24.807 1.00 0.00 O ATOM 1119 CB VAL A 70 53.699 43.013 28.039 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.291 43.608 29.384 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.925 41.714 27.831 1.00 0.00 C ATOM 0 H VAL A 70 51.618 43.654 26.200 1.00 0.00 H new ATOM 0 HA VAL A 70 54.049 44.923 27.248 1.00 0.00 H new ATOM 0 HB VAL A 70 54.762 42.770 28.033 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.423 42.861 30.167 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.913 44.476 29.602 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.245 43.912 29.345 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.098 41.048 28.676 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.860 41.933 27.754 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.264 41.232 26.914 1.00 0.00 H new ATOM 1131 N LEU A 71 55.436 43.874 25.390 1.00 0.00 N ATOM 1132 CA LEU A 71 56.202 43.401 24.254 1.00 0.00 C ATOM 1133 C LEU A 71 56.857 42.052 24.555 1.00 0.00 C ATOM 1134 O LEU A 71 57.170 41.736 25.701 1.00 0.00 O ATOM 1135 CB LEU A 71 57.207 44.461 23.813 1.00 0.00 C ATOM 1136 CG LEU A 71 56.653 45.521 22.865 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.550 46.376 23.481 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.788 46.443 22.429 1.00 0.00 C ATOM 0 H LEU A 71 55.961 44.494 26.007 1.00 0.00 H new ATOM 0 HA LEU A 71 55.525 43.233 23.416 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.600 44.958 24.700 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.047 43.964 23.327 1.00 0.00 H new ATOM 0 HG LEU A 71 56.216 44.985 22.023 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.205 47.107 22.750 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.717 45.738 23.777 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.938 46.895 24.357 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.399 47.203 21.751 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.222 46.925 23.305 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.555 45.860 21.919 1.00 0.00 H new ATOM 1150 N ARG A 72 57.052 41.238 23.519 1.00 0.00 N ATOM 1151 CA ARG A 72 57.584 39.895 23.621 1.00 0.00 C ATOM 1152 C ARG A 72 59.093 39.881 23.868 1.00 0.00 C ATOM 1153 O ARG A 72 59.831 40.642 23.246 1.00 0.00 O ATOM 1154 CB ARG A 72 57.246 39.093 22.367 1.00 0.00 C ATOM 1155 CG ARG A 72 55.743 38.916 22.172 1.00 0.00 C ATOM 1156 CD ARG A 72 55.447 38.044 20.956 1.00 0.00 C ATOM 1157 NE ARG A 72 54.035 38.126 20.582 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.411 37.339 19.695 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.001 36.336 19.031 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.111 37.538 19.433 1.00 0.00 N ATOM 0 H ARG A 72 56.835 41.510 22.560 1.00 0.00 H new ATOM 0 HA ARG A 72 57.112 39.430 24.486 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.665 39.595 21.495 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.719 38.113 22.429 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.308 38.463 23.063 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.272 39.891 22.048 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.068 38.360 20.118 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.709 37.009 21.174 1.00 0.00 H new ATOM 0 HE ARG A 72 53.475 38.847 21.037 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.988 36.132 19.188 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.463 35.777 18.369 1.00 0.00 H new ATOM 0 HH21 ARG A 72 51.604 38.285 19.908 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.630 36.943 18.759 1.00 0.00 H new ATOM 1174 N LEU A 73 59.554 38.969 24.720 1.00 0.00 N ATOM 1175 CA LEU A 73 60.950 38.717 25.017 1.00 0.00 C ATOM 1176 C LEU A 73 61.239 37.216 24.982 1.00 0.00 C ATOM 1177 O LEU A 73 60.332 36.399 25.126 1.00 0.00 O ATOM 1178 CB LEU A 73 61.309 39.322 26.371 1.00 0.00 C ATOM 1179 CG LEU A 73 61.150 40.834 26.494 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.296 41.251 27.954 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.188 41.591 25.668 1.00 0.00 C ATOM 0 H LEU A 73 58.928 38.358 25.245 1.00 0.00 H new ATOM 0 HA LEU A 73 61.571 39.191 24.257 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.690 38.849 27.133 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.344 39.066 26.597 1.00 0.00 H new ATOM 0 HG LEU A 73 60.159 41.084 26.116 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.182 42.332 28.037 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.529 40.758 28.552 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.282 40.961 28.318 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.036 42.664 25.787 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.189 41.327 26.010 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.082 41.324 24.617 1.00 0.00 H new ATOM 1193 N ARG A 74 62.501 36.837 24.806 1.00 0.00 N ATOM 1194 CA ARG A 74 62.997 35.476 24.842 1.00 0.00 C ATOM 1195 C ARG A 74 63.657 35.165 26.187 1.00 0.00 C ATOM 1196 O ARG A 74 63.896 36.050 27.004 1.00 0.00 O ATOM 1197 CB ARG A 74 63.941 35.259 23.662 1.00 0.00 C ATOM 1198 CG ARG A 74 63.204 35.040 22.344 1.00 0.00 C ATOM 1199 CD ARG A 74 64.153 35.121 21.152 1.00 0.00 C ATOM 1200 NE ARG A 74 64.483 36.509 20.830 1.00 0.00 N ATOM 1201 CZ ARG A 74 63.884 37.302 19.932 1.00 0.00 C ATOM 1202 NH1 ARG A 74 62.972 36.879 19.046 1.00 0.00 N ATOM 1203 NH2 ARG A 74 64.150 38.615 19.905 1.00 0.00 N ATOM 0 H ARG A 74 63.242 37.514 24.625 1.00 0.00 H new ATOM 0 HA ARG A 74 62.165 34.778 24.747 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.598 36.123 23.566 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.576 34.397 23.865 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.716 34.065 22.356 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.419 35.788 22.237 1.00 0.00 H new ATOM 0 HD2 ARG A 74 65.067 34.570 21.374 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.695 34.643 20.286 1.00 0.00 H new ATOM 0 HE ARG A 74 65.259 36.921 21.349 1.00 0.00 H new ATOM 0 HH11 ARG A 74 62.695 35.898 19.029 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.555 37.539 18.389 1.00 0.00 H new ATOM 0 HH21 ARG A 74 64.811 39.015 20.570 1.00 0.00 H new ATOM 0 HH22 ARG A 74 63.691 39.214 19.219 1.00 0.00 H new ATOM 1217 N GLY A 75 63.941 33.886 26.419 1.00 0.00 N ATOM 1218 CA GLY A 75 64.556 33.395 27.636 1.00 0.00 C ATOM 1219 C GLY A 75 65.409 32.143 27.420 1.00 0.00 C ATOM 1220 O GLY A 75 65.975 31.930 26.351 1.00 0.00 O ATOM 0 H GLY A 75 63.742 33.148 25.744 1.00 0.00 H new ATOM 0 HA2 GLY A 75 65.179 34.181 28.063 1.00 0.00 H new ATOM 0 HA3 GLY A 75 63.777 33.174 28.365 1.00 0.00 H new ATOM 1224 N GLY A 76 65.525 31.341 28.475 1.00 0.00 N ATOM 1225 CA GLY A 76 66.375 30.169 28.543 1.00 0.00 C ATOM 1226 C GLY A 76 66.304 29.506 29.920 1.00 0.00 C ATOM 1227 O GLY A 76 65.422 28.642 30.112 1.00 0.00 O ATOM 1228 OXT GLY A 76 67.146 29.863 30.772 1.00 0.00 O ATOM 0 H GLY A 76 65.006 31.502 29.338 1.00 0.00 H new ATOM 0 HA2 GLY A 76 66.073 29.454 27.778 1.00 0.00 H new ATOM 0 HA3 GLY A 76 67.405 30.452 28.327 1.00 0.00 H new TER 1232 GLY A 76