USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 471 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 HIS : no HE2:sc= 0.684 K(o=0.064,f=-2.8!) USER MOD Set 1.2: A 59 MET CE :methyl 175:sc= -0.621 (180deg=-0.713) USER MOD Set 2.1: A 54 GLN : amide:sc= 0.737 K(o=1.5,f=-4.1) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -137:sc= 0.808 (180deg=-0.0885) USER MOD Set 3.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 36 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0) USER MOD Set 3.3: A 37 ASN : amide:sc= 1.02 K(o=2.2,f=-4.1) USER MOD Single : A 1 TRP N :NH3+ 152:sc= 0.474 (180deg=0.0516) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -141:sc= -0.42 (180deg=-1.01) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00582) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.171 K(o=-0.17,f=-5.3!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 170:sc= -0.222 (180deg=-0.516) USER MOD Single : A 29 SER OG : rot -30:sc= 0.0333 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.3 K(o=-1.3,f=0.096) USER MOD Single : A 35 CYS SG : rot -35:sc= -2.52 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0278 USER MOD Single : A 53 GLN : amide:sc= 0.127 X(o=0.13,f=-0.018) USER MOD Single : A 56 LYS NZ :NH3+ -131:sc= 0.507 (180deg=-0.0537) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.646 2.253 -1.034 1.00 0.00 N ATOM 2 CA TRP A 1 2.639 1.656 -1.942 1.00 0.00 C ATOM 3 C TRP A 1 2.450 0.137 -1.992 1.00 0.00 C ATOM 4 O TRP A 1 2.423 -0.532 -0.951 1.00 0.00 O ATOM 5 CB TRP A 1 4.084 1.981 -1.487 1.00 0.00 C ATOM 6 CG TRP A 1 4.408 3.457 -1.383 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.121 4.304 -0.345 1.00 0.00 C ATOM 8 CD2 TRP A 1 5.116 4.242 -2.351 1.00 0.00 C ATOM 9 NE1 TRP A 1 4.582 5.566 -0.625 1.00 0.00 N ATOM 10 CE2 TRP A 1 5.198 5.554 -1.846 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.683 3.959 -3.592 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.824 6.581 -2.544 1.00 0.00 C ATOM 13 CZ3 TRP A 1 6.299 4.977 -4.286 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.366 6.279 -3.760 1.00 0.00 C ATOM 0 H1 TRP A 1 2.029 3.132 -0.630 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.776 2.465 -1.562 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.431 1.585 -0.267 1.00 0.00 H new ATOM 0 HA TRP A 1 2.487 2.081 -2.934 1.00 0.00 H new ATOM 0 HB2 TRP A 1 4.255 1.518 -0.515 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.781 1.520 -2.187 1.00 0.00 H new ATOM 0 HD1 TRP A 1 3.607 4.020 0.561 1.00 0.00 H new ATOM 0 HE1 TRP A 1 4.481 6.381 -0.020 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.640 2.961 -4.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 5.879 7.581 -2.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.738 4.771 -5.251 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.856 7.055 -4.329 1.00 0.00 H new ATOM 25 N THR A 2 2.306 -0.404 -3.210 1.00 0.00 N ATOM 26 CA THR A 2 2.284 -1.862 -3.458 1.00 0.00 C ATOM 27 C THR A 2 3.637 -2.269 -4.099 1.00 0.00 C ATOM 28 O THR A 2 4.394 -1.397 -4.529 1.00 0.00 O ATOM 29 CB THR A 2 1.059 -2.248 -4.363 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.089 -1.481 -3.961 1.00 0.00 O ATOM 31 CG2 THR A 2 0.698 -3.746 -4.269 1.00 0.00 C ATOM 0 H THR A 2 2.201 0.155 -4.057 1.00 0.00 H new ATOM 0 HA THR A 2 2.162 -2.407 -2.522 1.00 0.00 H new ATOM 0 HB THR A 2 1.343 -2.033 -5.393 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.855 -1.718 -4.525 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.155 -3.956 -4.914 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.550 -4.346 -4.587 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.443 -3.995 -3.239 1.00 0.00 H new ATOM 39 N GLU A 3 3.924 -3.581 -4.180 1.00 0.00 N ATOM 40 CA GLU A 3 5.264 -4.099 -4.539 1.00 0.00 C ATOM 41 C GLU A 3 5.698 -3.752 -5.989 1.00 0.00 C ATOM 42 O GLU A 3 6.892 -3.806 -6.304 1.00 0.00 O ATOM 43 CB GLU A 3 5.348 -5.622 -4.266 1.00 0.00 C ATOM 44 CG GLU A 3 5.103 -5.995 -2.787 1.00 0.00 C ATOM 45 CD GLU A 3 5.498 -7.442 -2.433 1.00 0.00 C ATOM 46 OE1 GLU A 3 6.680 -7.676 -2.099 1.00 0.00 O ATOM 47 OE2 GLU A 3 4.637 -8.345 -2.481 1.00 0.00 O ATOM 0 H GLU A 3 3.238 -4.313 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 3 5.978 -3.587 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.616 -6.136 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.332 -5.984 -4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.665 -5.310 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.048 -5.850 -2.556 1.00 0.00 H new ATOM 54 N GLU A 4 4.732 -3.399 -6.849 1.00 0.00 N ATOM 55 CA GLU A 4 4.982 -3.062 -8.267 1.00 0.00 C ATOM 56 C GLU A 4 5.659 -1.675 -8.384 1.00 0.00 C ATOM 57 O GLU A 4 6.740 -1.550 -8.981 1.00 0.00 O ATOM 58 CB GLU A 4 3.656 -3.108 -9.093 1.00 0.00 C ATOM 59 CG GLU A 4 2.920 -4.475 -9.101 1.00 0.00 C ATOM 60 CD GLU A 4 2.176 -4.808 -7.787 1.00 0.00 C ATOM 61 OE1 GLU A 4 1.023 -4.362 -7.627 1.00 0.00 O ATOM 62 OE2 GLU A 4 2.740 -5.510 -6.915 1.00 0.00 O ATOM 0 H GLU A 4 3.749 -3.337 -6.584 1.00 0.00 H new ATOM 0 HA GLU A 4 5.660 -3.808 -8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.977 -2.352 -8.699 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.880 -2.830 -10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.203 -4.483 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.645 -5.263 -9.303 1.00 0.00 H new ATOM 69 N GLU A 5 5.018 -0.649 -7.789 1.00 0.00 N ATOM 70 CA GLU A 5 5.564 0.735 -7.729 1.00 0.00 C ATOM 71 C GLU A 5 6.797 0.790 -6.803 1.00 0.00 C ATOM 72 O GLU A 5 7.696 1.611 -6.992 1.00 0.00 O ATOM 73 CB GLU A 5 4.463 1.737 -7.260 1.00 0.00 C ATOM 74 CG GLU A 5 3.887 1.460 -5.854 1.00 0.00 C ATOM 75 CD GLU A 5 2.611 2.259 -5.530 1.00 0.00 C ATOM 76 OE1 GLU A 5 2.710 3.467 -5.249 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.504 1.664 -5.534 1.00 0.00 O ATOM 0 H GLU A 5 4.110 -0.749 -7.336 1.00 0.00 H new ATOM 0 HA GLU A 5 5.882 1.028 -8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.879 2.744 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.646 1.720 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.669 0.396 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.648 1.693 -5.109 1.00 0.00 H new ATOM 84 N MET A 6 6.795 -0.096 -5.790 1.00 0.00 N ATOM 85 CA MET A 6 7.932 -0.320 -4.870 1.00 0.00 C ATOM 86 C MET A 6 9.152 -0.872 -5.629 1.00 0.00 C ATOM 87 O MET A 6 10.292 -0.553 -5.290 1.00 0.00 O ATOM 88 CB MET A 6 7.478 -1.305 -3.759 1.00 0.00 C ATOM 89 CG MET A 6 8.552 -1.802 -2.777 1.00 0.00 C ATOM 90 SD MET A 6 7.858 -2.854 -1.470 1.00 0.00 S ATOM 91 CE MET A 6 6.588 -1.793 -0.758 1.00 0.00 C ATOM 0 H MET A 6 5.991 -0.688 -5.582 1.00 0.00 H new ATOM 0 HA MET A 6 8.234 0.626 -4.421 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.690 -0.822 -3.181 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.032 -2.175 -4.241 1.00 0.00 H new ATOM 0 HG2 MET A 6 9.311 -2.360 -3.325 1.00 0.00 H new ATOM 0 HG3 MET A 6 9.051 -0.945 -2.324 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.574 -1.919 0.325 1.00 0.00 H new ATOM 0 HE2 MET A 6 6.805 -0.753 -1.000 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.615 -2.065 -1.168 1.00 0.00 H new ATOM 101 N GLY A 7 8.882 -1.698 -6.662 1.00 0.00 N ATOM 102 CA GLY A 7 9.931 -2.241 -7.532 1.00 0.00 C ATOM 103 C GLY A 7 10.555 -1.175 -8.427 1.00 0.00 C ATOM 104 O GLY A 7 11.779 -1.141 -8.612 1.00 0.00 O ATOM 0 H GLY A 7 7.940 -2.001 -6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.708 -2.696 -6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.511 -3.032 -8.153 1.00 0.00 H new ATOM 108 N THR A 8 9.694 -0.294 -8.968 1.00 0.00 N ATOM 109 CA THR A 8 10.114 0.843 -9.807 1.00 0.00 C ATOM 110 C THR A 8 10.932 1.858 -8.969 1.00 0.00 C ATOM 111 O THR A 8 11.922 2.422 -9.452 1.00 0.00 O ATOM 112 CB THR A 8 8.871 1.544 -10.446 1.00 0.00 C ATOM 113 OG1 THR A 8 8.004 0.549 -11.016 1.00 0.00 O ATOM 114 CG2 THR A 8 9.255 2.568 -11.543 1.00 0.00 C ATOM 0 H THR A 8 8.684 -0.351 -8.835 1.00 0.00 H new ATOM 0 HA THR A 8 10.746 0.463 -10.610 1.00 0.00 H new ATOM 0 HB THR A 8 8.368 2.092 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.223 0.986 -11.416 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.351 3.022 -11.949 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.888 3.343 -11.111 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.796 2.060 -12.341 1.00 0.00 H new ATOM 122 N ALA A 9 10.501 2.054 -7.699 1.00 0.00 N ATOM 123 CA ALA A 9 11.183 2.941 -6.730 1.00 0.00 C ATOM 124 C ALA A 9 12.580 2.387 -6.406 1.00 0.00 C ATOM 125 O ALA A 9 13.573 3.102 -6.505 1.00 0.00 O ATOM 126 CB ALA A 9 10.330 3.092 -5.450 1.00 0.00 C ATOM 0 H ALA A 9 9.670 1.600 -7.319 1.00 0.00 H new ATOM 0 HA ALA A 9 11.302 3.931 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.843 3.747 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.362 3.523 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.182 2.113 -4.994 1.00 0.00 H new ATOM 132 N LYS A 10 12.612 1.078 -6.082 1.00 0.00 N ATOM 133 CA LYS A 10 13.847 0.302 -5.814 1.00 0.00 C ATOM 134 C LYS A 10 14.875 0.477 -6.947 1.00 0.00 C ATOM 135 O LYS A 10 16.072 0.623 -6.691 1.00 0.00 O ATOM 136 CB LYS A 10 13.467 -1.207 -5.586 1.00 0.00 C ATOM 137 CG LYS A 10 14.618 -2.264 -5.672 1.00 0.00 C ATOM 138 CD LYS A 10 14.864 -2.792 -7.122 1.00 0.00 C ATOM 139 CE LYS A 10 15.976 -3.848 -7.205 1.00 0.00 C ATOM 140 NZ LYS A 10 15.618 -5.108 -6.504 1.00 0.00 N ATOM 0 H LYS A 10 11.765 0.517 -5.997 1.00 0.00 H new ATOM 0 HA LYS A 10 14.324 0.680 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.005 -1.292 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.707 -1.477 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.539 -1.820 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.379 -3.106 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.938 -3.219 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.121 -1.952 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.188 -4.066 -8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.891 -3.443 -6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.387 -5.799 -6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.474 -4.914 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.742 -5.494 -6.910 1.00 0.00 H new ATOM 154 N LYS A 11 14.370 0.455 -8.195 1.00 0.00 N ATOM 155 CA LYS A 11 15.191 0.638 -9.401 1.00 0.00 C ATOM 156 C LYS A 11 15.842 2.037 -9.397 1.00 0.00 C ATOM 157 O LYS A 11 17.041 2.151 -9.645 1.00 0.00 O ATOM 158 CB LYS A 11 14.340 0.418 -10.688 1.00 0.00 C ATOM 159 CG LYS A 11 15.032 0.830 -12.015 1.00 0.00 C ATOM 160 CD LYS A 11 16.416 0.160 -12.235 1.00 0.00 C ATOM 161 CE LYS A 11 17.156 0.741 -13.444 1.00 0.00 C ATOM 162 NZ LYS A 11 16.437 0.474 -14.717 1.00 0.00 N ATOM 0 H LYS A 11 13.380 0.310 -8.393 1.00 0.00 H new ATOM 0 HA LYS A 11 15.986 -0.108 -9.398 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.069 -0.636 -10.750 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.411 0.980 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.378 0.575 -12.849 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.157 1.913 -12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.026 0.290 -11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.280 -0.912 -12.376 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.275 1.817 -13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.157 0.313 -13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.971 0.884 -15.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.345 -0.553 -14.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.491 0.904 -14.678 1.00 0.00 H new ATOM 176 N GLY A 12 15.052 3.079 -9.090 1.00 0.00 N ATOM 177 CA GLY A 12 15.578 4.449 -9.003 1.00 0.00 C ATOM 178 C GLY A 12 16.592 4.636 -7.877 1.00 0.00 C ATOM 179 O GLY A 12 17.495 5.466 -7.967 1.00 0.00 O ATOM 0 H GLY A 12 14.053 2.999 -8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.046 4.712 -9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.749 5.140 -8.854 1.00 0.00 H new ATOM 183 N LEU A 13 16.422 3.860 -6.810 1.00 0.00 N ATOM 184 CA LEU A 13 17.302 3.869 -5.630 1.00 0.00 C ATOM 185 C LEU A 13 18.601 3.060 -5.914 1.00 0.00 C ATOM 186 O LEU A 13 19.632 3.277 -5.276 1.00 0.00 O ATOM 187 CB LEU A 13 16.475 3.347 -4.417 1.00 0.00 C ATOM 188 CG LEU A 13 15.224 4.248 -4.086 1.00 0.00 C ATOM 189 CD1 LEU A 13 14.167 3.538 -3.222 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.657 5.573 -3.438 1.00 0.00 C ATOM 0 H LEU A 13 15.655 3.192 -6.733 1.00 0.00 H new ATOM 0 HA LEU A 13 17.646 4.875 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 13 16.139 2.331 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.120 3.296 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 13 14.744 4.459 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.335 4.217 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.803 2.654 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.613 3.239 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.776 6.176 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.194 5.367 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.308 6.117 -4.122 1.00 0.00 H new ATOM 202 N LEU A 14 18.512 2.114 -6.869 1.00 0.00 N ATOM 203 CA LEU A 14 19.678 1.382 -7.433 1.00 0.00 C ATOM 204 C LEU A 14 20.406 2.263 -8.490 1.00 0.00 C ATOM 205 O LEU A 14 21.625 2.182 -8.660 1.00 0.00 O ATOM 206 CB LEU A 14 19.183 0.015 -8.033 1.00 0.00 C ATOM 207 CG LEU A 14 20.234 -1.151 -8.153 1.00 0.00 C ATOM 208 CD1 LEU A 14 19.530 -2.528 -8.246 1.00 0.00 C ATOM 209 CD2 LEU A 14 21.195 -0.963 -9.351 1.00 0.00 C ATOM 0 H LEU A 14 17.623 1.829 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 14 20.404 1.165 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.355 -0.341 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.782 0.210 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 14 20.835 -1.119 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.280 -3.315 -8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.929 -2.691 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.885 -2.548 -9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.899 -1.795 -9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.621 -0.933 -10.277 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.744 -0.028 -9.234 1.00 0.00 H new ATOM 221 N GLU A 15 19.626 3.107 -9.180 1.00 0.00 N ATOM 222 CA GLU A 15 20.092 3.918 -10.331 1.00 0.00 C ATOM 223 C GLU A 15 20.749 5.234 -9.862 1.00 0.00 C ATOM 224 O GLU A 15 21.940 5.467 -10.077 1.00 0.00 O ATOM 225 CB GLU A 15 18.874 4.230 -11.255 1.00 0.00 C ATOM 226 CG GLU A 15 19.191 4.982 -12.566 1.00 0.00 C ATOM 227 CD GLU A 15 19.952 4.123 -13.591 1.00 0.00 C ATOM 228 OE1 GLU A 15 19.305 3.299 -14.279 1.00 0.00 O ATOM 229 OE2 GLU A 15 21.190 4.267 -13.716 1.00 0.00 O ATOM 0 H GLU A 15 18.641 3.253 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 15 20.844 3.350 -10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.386 3.289 -11.509 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.154 4.819 -10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.259 5.328 -13.013 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.782 5.868 -12.335 1.00 0.00 H new ATOM 236 N HIS A 16 19.936 6.082 -9.220 1.00 0.00 N ATOM 237 CA HIS A 16 20.349 7.399 -8.697 1.00 0.00 C ATOM 238 C HIS A 16 20.842 7.268 -7.259 1.00 0.00 C ATOM 239 O HIS A 16 21.896 7.794 -6.886 1.00 0.00 O ATOM 240 CB HIS A 16 19.152 8.392 -8.722 1.00 0.00 C ATOM 241 CG HIS A 16 18.524 8.587 -10.073 1.00 0.00 C ATOM 242 ND1 HIS A 16 19.021 9.456 -11.020 1.00 0.00 N ATOM 243 CD2 HIS A 16 17.439 8.004 -10.636 1.00 0.00 C ATOM 244 CE1 HIS A 16 18.266 9.405 -12.101 1.00 0.00 C ATOM 245 NE2 HIS A 16 17.302 8.528 -11.896 1.00 0.00 N ATOM 0 H HIS A 16 18.953 5.872 -9.044 1.00 0.00 H new ATOM 0 HA HIS A 16 21.153 7.775 -9.330 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.389 8.037 -8.030 1.00 0.00 H new ATOM 0 HB3 HIS A 16 19.492 9.359 -8.352 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.800 7.264 -10.178 1.00 0.00 H new ATOM 0 HE1 HIS A 16 18.412 9.983 -13.001 1.00 0.00 H new ATOM 0 HE2 HIS A 16 16.574 8.280 -12.565 1.00 0.00 H new ATOM 254 N GLY A 17 20.060 6.546 -6.463 1.00 0.00 N ATOM 255 CA GLY A 17 20.272 6.453 -5.027 1.00 0.00 C ATOM 256 C GLY A 17 19.146 7.131 -4.267 1.00 0.00 C ATOM 257 O GLY A 17 18.043 7.292 -4.802 1.00 0.00 O ATOM 0 H GLY A 17 19.260 6.009 -6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.336 5.406 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.223 6.916 -4.765 1.00 0.00 H new ATOM 261 N ARG A 18 19.437 7.575 -3.038 1.00 0.00 N ATOM 262 CA ARG A 18 18.440 8.157 -2.106 1.00 0.00 C ATOM 263 C ARG A 18 18.078 9.629 -2.434 1.00 0.00 C ATOM 264 O ARG A 18 17.624 10.360 -1.548 1.00 0.00 O ATOM 265 CB ARG A 18 18.981 8.031 -0.652 1.00 0.00 C ATOM 266 CG ARG A 18 19.046 6.581 -0.130 1.00 0.00 C ATOM 267 CD ARG A 18 19.869 6.431 1.159 1.00 0.00 C ATOM 268 NE ARG A 18 19.322 7.187 2.299 1.00 0.00 N ATOM 269 CZ ARG A 18 19.787 7.112 3.560 1.00 0.00 C ATOM 270 NH1 ARG A 18 20.780 6.287 3.872 1.00 0.00 N ATOM 271 NH2 ARG A 18 19.250 7.869 4.502 1.00 0.00 N ATOM 0 H ARG A 18 20.380 7.544 -2.650 1.00 0.00 H new ATOM 0 HA ARG A 18 17.512 7.595 -2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.979 8.467 -0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.347 8.617 0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.033 6.223 0.051 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.476 5.944 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.922 5.375 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.890 6.763 0.969 1.00 0.00 H new ATOM 0 HE ARG A 18 18.535 7.811 2.120 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.200 5.700 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.122 6.241 4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.487 8.506 4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.599 7.816 5.459 1.00 0.00 H new ATOM 285 N ASN A 19 18.251 10.051 -3.703 1.00 0.00 N ATOM 286 CA ASN A 19 17.718 11.332 -4.191 1.00 0.00 C ATOM 287 C ASN A 19 16.186 11.192 -4.295 1.00 0.00 C ATOM 288 O ASN A 19 15.646 10.910 -5.372 1.00 0.00 O ATOM 289 CB ASN A 19 18.365 11.722 -5.562 1.00 0.00 C ATOM 290 CG ASN A 19 17.964 13.119 -6.094 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.870 13.625 -5.843 1.00 0.00 O ATOM 292 ND2 ASN A 19 18.852 13.757 -6.843 1.00 0.00 N ATOM 0 H ASN A 19 18.759 9.518 -4.409 1.00 0.00 H new ATOM 0 HA ASN A 19 17.964 12.138 -3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.450 11.685 -5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.089 10.973 -6.304 1.00 0.00 H new ATOM 0 HD21 ASN A 19 18.633 14.679 -7.220 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.754 13.326 -7.043 1.00 0.00 H new ATOM 299 N TRP A 20 15.505 11.380 -3.147 1.00 0.00 N ATOM 300 CA TRP A 20 14.060 11.134 -2.998 1.00 0.00 C ATOM 301 C TRP A 20 13.241 12.028 -3.939 1.00 0.00 C ATOM 302 O TRP A 20 12.130 11.681 -4.302 1.00 0.00 O ATOM 303 CB TRP A 20 13.610 11.376 -1.536 1.00 0.00 C ATOM 304 CG TRP A 20 14.426 10.658 -0.476 1.00 0.00 C ATOM 305 CD1 TRP A 20 15.176 11.238 0.510 1.00 0.00 C ATOM 306 CD2 TRP A 20 14.576 9.236 -0.293 1.00 0.00 C ATOM 307 NE1 TRP A 20 15.749 10.281 1.298 1.00 0.00 N ATOM 308 CE2 TRP A 20 15.408 9.047 0.822 1.00 0.00 C ATOM 309 CE3 TRP A 20 14.083 8.112 -0.960 1.00 0.00 C ATOM 310 CZ2 TRP A 20 15.758 7.785 1.287 1.00 0.00 C ATOM 311 CZ3 TRP A 20 14.429 6.858 -0.495 1.00 0.00 C ATOM 312 CH2 TRP A 20 15.266 6.705 0.611 1.00 0.00 C ATOM 0 H TRP A 20 15.949 11.710 -2.290 1.00 0.00 H new ATOM 0 HA TRP A 20 13.880 10.092 -3.262 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.647 12.447 -1.335 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.569 11.069 -1.439 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.298 12.302 0.646 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.337 10.459 2.112 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.443 8.221 -1.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.395 7.663 2.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.045 5.981 -0.996 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.531 5.711 0.940 1.00 0.00 H new ATOM 323 N SER A 21 13.816 13.187 -4.295 1.00 0.00 N ATOM 324 CA SER A 21 13.214 14.139 -5.228 1.00 0.00 C ATOM 325 C SER A 21 13.068 13.507 -6.629 1.00 0.00 C ATOM 326 O SER A 21 11.985 13.555 -7.226 1.00 0.00 O ATOM 327 CB SER A 21 14.082 15.415 -5.280 1.00 0.00 C ATOM 328 OG SER A 21 14.314 15.939 -3.975 1.00 0.00 O ATOM 0 H SER A 21 14.722 13.489 -3.937 1.00 0.00 H new ATOM 0 HA SER A 21 12.215 14.405 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 21 15.035 15.189 -5.758 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.588 16.168 -5.894 1.00 0.00 H new ATOM 0 HG SER A 21 14.867 16.745 -4.040 1.00 0.00 H new ATOM 334 N ALA A 22 14.160 12.887 -7.113 1.00 0.00 N ATOM 335 CA ALA A 22 14.210 12.256 -8.447 1.00 0.00 C ATOM 336 C ALA A 22 13.296 11.020 -8.512 1.00 0.00 C ATOM 337 O ALA A 22 12.646 10.761 -9.535 1.00 0.00 O ATOM 338 CB ALA A 22 15.660 11.878 -8.801 1.00 0.00 C ATOM 0 H ALA A 22 15.033 12.809 -6.591 1.00 0.00 H new ATOM 0 HA ALA A 22 13.846 12.977 -9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.685 11.413 -9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.279 12.775 -8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.045 11.177 -8.060 1.00 0.00 H new ATOM 344 N ILE A 23 13.235 10.281 -7.391 1.00 0.00 N ATOM 345 CA ILE A 23 12.496 9.006 -7.319 1.00 0.00 C ATOM 346 C ILE A 23 10.990 9.280 -7.197 1.00 0.00 C ATOM 347 O ILE A 23 10.191 8.685 -7.903 1.00 0.00 O ATOM 348 CB ILE A 23 12.984 8.095 -6.127 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.552 8.030 -6.061 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.373 6.669 -6.225 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.255 7.794 -7.383 1.00 0.00 C ATOM 0 H ILE A 23 13.691 10.546 -6.518 1.00 0.00 H new ATOM 0 HA ILE A 23 12.696 8.460 -8.241 1.00 0.00 H new ATOM 0 HB ILE A 23 12.631 8.550 -5.201 1.00 0.00 H new ATOM 0 HG12 ILE A 23 14.919 8.965 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.836 7.234 -5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.727 6.063 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.286 6.736 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.678 6.206 -7.164 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.333 7.767 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.927 6.844 -7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.011 8.601 -8.074 1.00 0.00 H new ATOM 363 N ALA A 24 10.635 10.233 -6.330 1.00 0.00 N ATOM 364 CA ALA A 24 9.232 10.636 -6.083 1.00 0.00 C ATOM 365 C ALA A 24 8.610 11.350 -7.293 1.00 0.00 C ATOM 366 O ALA A 24 7.394 11.457 -7.383 1.00 0.00 O ATOM 367 CB ALA A 24 9.129 11.525 -4.846 1.00 0.00 C ATOM 0 H ALA A 24 11.311 10.755 -5.772 1.00 0.00 H new ATOM 0 HA ALA A 24 8.669 9.718 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.088 11.807 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.495 10.981 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.730 12.423 -4.992 1.00 0.00 H new ATOM 373 N ARG A 25 9.460 11.896 -8.179 1.00 0.00 N ATOM 374 CA ARG A 25 9.014 12.469 -9.462 1.00 0.00 C ATOM 375 C ARG A 25 8.718 11.346 -10.480 1.00 0.00 C ATOM 376 O ARG A 25 7.822 11.475 -11.319 1.00 0.00 O ATOM 377 CB ARG A 25 10.081 13.464 -10.002 1.00 0.00 C ATOM 378 CG ARG A 25 9.746 14.095 -11.378 1.00 0.00 C ATOM 379 CD ARG A 25 10.706 15.239 -11.764 1.00 0.00 C ATOM 380 NE ARG A 25 10.602 16.376 -10.822 1.00 0.00 N ATOM 381 CZ ARG A 25 9.985 17.544 -11.056 1.00 0.00 C ATOM 382 NH1 ARG A 25 9.409 17.795 -12.227 1.00 0.00 N ATOM 383 NH2 ARG A 25 9.931 18.453 -10.094 1.00 0.00 N ATOM 0 H ARG A 25 10.467 11.953 -8.029 1.00 0.00 H new ATOM 0 HA ARG A 25 8.088 13.022 -9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.212 14.264 -9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.036 12.944 -10.080 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.783 13.322 -12.145 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.725 14.476 -11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.731 14.867 -11.775 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.479 15.580 -12.774 1.00 0.00 H new ATOM 0 HE ARG A 25 11.041 16.261 -9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.431 17.093 -12.967 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.945 18.689 -12.386 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.356 18.261 -9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.465 19.345 -10.260 1.00 0.00 H new ATOM 397 N MET A 26 9.478 10.239 -10.383 1.00 0.00 N ATOM 398 CA MET A 26 9.347 9.090 -11.301 1.00 0.00 C ATOM 399 C MET A 26 8.116 8.232 -10.943 1.00 0.00 C ATOM 400 O MET A 26 7.193 8.089 -11.747 1.00 0.00 O ATOM 401 CB MET A 26 10.645 8.234 -11.251 1.00 0.00 C ATOM 402 CG MET A 26 10.661 7.012 -12.191 1.00 0.00 C ATOM 403 SD MET A 26 12.242 6.129 -12.191 1.00 0.00 S ATOM 404 CE MET A 26 12.338 5.490 -10.517 1.00 0.00 C ATOM 0 H MET A 26 10.197 10.115 -9.670 1.00 0.00 H new ATOM 0 HA MET A 26 9.204 9.465 -12.314 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.493 8.873 -11.498 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.794 7.888 -10.228 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.869 6.324 -11.895 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.436 7.340 -13.206 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.168 4.787 -10.443 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.497 6.314 -9.822 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.407 4.980 -10.268 1.00 0.00 H new ATOM 414 N VAL A 27 8.110 7.692 -9.712 1.00 0.00 N ATOM 415 CA VAL A 27 7.089 6.731 -9.251 1.00 0.00 C ATOM 416 C VAL A 27 5.839 7.436 -8.686 1.00 0.00 C ATOM 417 O VAL A 27 4.707 7.001 -8.931 1.00 0.00 O ATOM 418 CB VAL A 27 7.698 5.725 -8.195 1.00 0.00 C ATOM 419 CG1 VAL A 27 8.872 4.944 -8.818 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.164 6.430 -6.894 1.00 0.00 C ATOM 0 H VAL A 27 8.814 7.909 -9.006 1.00 0.00 H new ATOM 0 HA VAL A 27 6.767 6.161 -10.123 1.00 0.00 H new ATOM 0 HB VAL A 27 6.900 5.036 -7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.283 4.255 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.517 4.382 -9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.647 5.642 -9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.573 5.690 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.931 7.166 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.315 6.930 -6.427 1.00 0.00 H new ATOM 430 N GLY A 28 6.066 8.509 -7.906 1.00 0.00 N ATOM 431 CA GLY A 28 4.991 9.284 -7.300 1.00 0.00 C ATOM 432 C GLY A 28 4.398 10.291 -8.277 1.00 0.00 C ATOM 433 O GLY A 28 3.173 10.428 -8.371 1.00 0.00 O ATOM 0 H GLY A 28 7.000 8.854 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.208 8.610 -6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.371 9.809 -6.423 1.00 0.00 H new ATOM 437 N SER A 29 5.305 10.984 -9.008 1.00 0.00 N ATOM 438 CA SER A 29 4.992 12.140 -9.890 1.00 0.00 C ATOM 439 C SER A 29 4.362 13.323 -9.105 1.00 0.00 C ATOM 440 O SER A 29 3.831 14.266 -9.706 1.00 0.00 O ATOM 441 CB SER A 29 4.103 11.691 -11.077 1.00 0.00 C ATOM 442 OG SER A 29 4.716 10.625 -11.792 1.00 0.00 O ATOM 0 H SER A 29 6.298 10.751 -9.002 1.00 0.00 H new ATOM 0 HA SER A 29 5.932 12.513 -10.296 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.128 11.374 -10.707 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.931 12.533 -11.747 1.00 0.00 H new ATOM 0 HG SER A 29 5.691 10.706 -11.728 1.00 0.00 H new ATOM 448 N LYS A 30 4.467 13.287 -7.752 1.00 0.00 N ATOM 449 CA LYS A 30 3.760 14.228 -6.858 1.00 0.00 C ATOM 450 C LYS A 30 4.737 14.920 -5.887 1.00 0.00 C ATOM 451 O LYS A 30 5.281 15.980 -6.208 1.00 0.00 O ATOM 452 CB LYS A 30 2.612 13.504 -6.078 1.00 0.00 C ATOM 453 CG LYS A 30 1.512 12.870 -6.965 1.00 0.00 C ATOM 454 CD LYS A 30 0.816 13.886 -7.899 1.00 0.00 C ATOM 455 CE LYS A 30 -0.196 13.218 -8.842 1.00 0.00 C ATOM 456 NZ LYS A 30 -0.784 14.187 -9.796 1.00 0.00 N ATOM 0 H LYS A 30 5.043 12.606 -7.256 1.00 0.00 H new ATOM 0 HA LYS A 30 3.310 15.001 -7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.052 12.723 -5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.144 14.221 -5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.954 12.077 -7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.763 12.404 -6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.306 14.638 -7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.569 14.407 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.296 12.417 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.991 12.758 -8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.462 13.697 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.275 14.938 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.028 14.607 -10.374 1.00 0.00 H new ATOM 470 N THR A 31 5.021 14.284 -4.733 1.00 0.00 N ATOM 471 CA THR A 31 5.681 14.953 -3.592 1.00 0.00 C ATOM 472 C THR A 31 6.929 14.168 -3.148 1.00 0.00 C ATOM 473 O THR A 31 6.910 12.945 -3.143 1.00 0.00 O ATOM 474 CB THR A 31 4.670 15.089 -2.406 1.00 0.00 C ATOM 475 OG1 THR A 31 3.426 15.633 -2.887 1.00 0.00 O ATOM 476 CG2 THR A 31 5.199 15.978 -1.268 1.00 0.00 C ATOM 0 H THR A 31 4.802 13.302 -4.565 1.00 0.00 H new ATOM 0 HA THR A 31 6.001 15.947 -3.904 1.00 0.00 H new ATOM 0 HB THR A 31 4.524 14.088 -2.000 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.795 15.715 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.454 16.035 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.120 15.551 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.398 16.979 -1.651 1.00 0.00 H new ATOM 484 N VAL A 32 7.997 14.896 -2.760 1.00 0.00 N ATOM 485 CA VAL A 32 9.293 14.302 -2.334 1.00 0.00 C ATOM 486 C VAL A 32 9.152 13.536 -0.996 1.00 0.00 C ATOM 487 O VAL A 32 9.789 12.484 -0.796 1.00 0.00 O ATOM 488 CB VAL A 32 10.406 15.414 -2.205 1.00 0.00 C ATOM 489 CG1 VAL A 32 11.778 14.829 -1.760 1.00 0.00 C ATOM 490 CG2 VAL A 32 10.548 16.210 -3.526 1.00 0.00 C ATOM 0 H VAL A 32 7.990 15.916 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 32 9.593 13.591 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 32 10.082 16.098 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.510 15.633 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.670 14.346 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.117 14.097 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.321 16.970 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.824 15.530 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.599 16.690 -3.765 1.00 0.00 H new ATOM 500 N SER A 33 8.277 14.063 -0.119 1.00 0.00 N ATOM 501 CA SER A 33 8.093 13.586 1.270 1.00 0.00 C ATOM 502 C SER A 33 7.708 12.089 1.352 1.00 0.00 C ATOM 503 O SER A 33 8.124 11.401 2.279 1.00 0.00 O ATOM 504 CB SER A 33 7.018 14.451 1.982 1.00 0.00 C ATOM 505 OG SER A 33 6.814 14.048 3.335 1.00 0.00 O ATOM 0 H SER A 33 7.667 14.845 -0.357 1.00 0.00 H new ATOM 0 HA SER A 33 9.055 13.689 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.321 15.498 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.077 14.379 1.437 1.00 0.00 H new ATOM 0 HG SER A 33 6.131 14.618 3.747 1.00 0.00 H new ATOM 511 N GLN A 34 6.925 11.599 0.368 1.00 0.00 N ATOM 512 CA GLN A 34 6.388 10.214 0.383 1.00 0.00 C ATOM 513 C GLN A 34 7.481 9.162 0.120 1.00 0.00 C ATOM 514 O GLN A 34 7.451 8.079 0.708 1.00 0.00 O ATOM 515 CB GLN A 34 5.230 10.061 -0.635 1.00 0.00 C ATOM 516 CG GLN A 34 5.608 10.344 -2.098 1.00 0.00 C ATOM 517 CD GLN A 34 4.399 10.432 -3.032 1.00 0.00 C ATOM 518 OE1 GLN A 34 3.985 9.443 -3.634 1.00 0.00 O ATOM 519 NE2 GLN A 34 3.808 11.617 -3.127 1.00 0.00 N ATOM 0 H GLN A 34 6.648 12.141 -0.451 1.00 0.00 H new ATOM 0 HA GLN A 34 6.000 10.034 1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.838 9.046 -0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.423 10.734 -0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.165 11.280 -2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.275 9.558 -2.452 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.180 12.415 -2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.982 11.729 -3.714 1.00 0.00 H new ATOM 528 N CYS A 35 8.433 9.490 -0.773 1.00 0.00 N ATOM 529 CA CYS A 35 9.560 8.588 -1.099 1.00 0.00 C ATOM 530 C CYS A 35 10.604 8.626 0.029 1.00 0.00 C ATOM 531 O CYS A 35 11.273 7.627 0.308 1.00 0.00 O ATOM 532 CB CYS A 35 10.203 8.976 -2.445 1.00 0.00 C ATOM 533 SG CYS A 35 11.436 7.800 -3.038 1.00 0.00 S ATOM 0 H CYS A 35 8.447 10.373 -1.283 1.00 0.00 H new ATOM 0 HA CYS A 35 9.176 7.572 -1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.419 9.073 -3.196 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.670 9.956 -2.343 1.00 0.00 H new ATOM 0 HG CYS A 35 12.079 7.298 -2.026 1.00 0.00 H new ATOM 539 N LYS A 36 10.703 9.798 0.682 1.00 0.00 N ATOM 540 CA LYS A 36 11.576 10.009 1.849 1.00 0.00 C ATOM 541 C LYS A 36 11.062 9.156 3.027 1.00 0.00 C ATOM 542 O LYS A 36 11.837 8.469 3.694 1.00 0.00 O ATOM 543 CB LYS A 36 11.631 11.540 2.185 1.00 0.00 C ATOM 544 CG LYS A 36 12.573 11.974 3.358 1.00 0.00 C ATOM 545 CD LYS A 36 11.927 11.888 4.772 1.00 0.00 C ATOM 546 CE LYS A 36 10.667 12.758 4.902 1.00 0.00 C ATOM 547 NZ LYS A 36 10.094 12.704 6.261 1.00 0.00 N ATOM 0 H LYS A 36 10.176 10.629 0.413 1.00 0.00 H new ATOM 0 HA LYS A 36 12.596 9.689 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.940 12.074 1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.620 11.872 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.465 11.348 3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.900 12.999 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.671 10.851 4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.657 12.198 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.912 13.790 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.921 12.425 4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.506 13.546 6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.509 11.849 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.863 12.678 6.961 1.00 0.00 H new ATOM 561 N ASN A 37 9.731 9.202 3.237 1.00 0.00 N ATOM 562 CA ASN A 37 9.040 8.446 4.305 1.00 0.00 C ATOM 563 C ASN A 37 9.057 6.935 4.013 1.00 0.00 C ATOM 564 O ASN A 37 9.204 6.138 4.936 1.00 0.00 O ATOM 565 CB ASN A 37 7.576 8.955 4.485 1.00 0.00 C ATOM 566 CG ASN A 37 7.486 10.290 5.247 1.00 0.00 C ATOM 567 OD1 ASN A 37 8.287 10.565 6.140 1.00 0.00 O ATOM 568 ND2 ASN A 37 6.520 11.128 4.898 1.00 0.00 N ATOM 0 H ASN A 37 9.101 9.767 2.668 1.00 0.00 H new ATOM 0 HA ASN A 37 9.579 8.615 5.237 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.116 9.073 3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.999 8.200 5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.427 12.026 5.373 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.869 10.875 4.154 1.00 0.00 H new ATOM 575 N PHE A 38 8.963 6.588 2.710 1.00 0.00 N ATOM 576 CA PHE A 38 8.863 5.190 2.190 1.00 0.00 C ATOM 577 C PHE A 38 9.919 4.255 2.806 1.00 0.00 C ATOM 578 O PHE A 38 9.631 3.100 3.156 1.00 0.00 O ATOM 579 CB PHE A 38 9.070 5.227 0.654 1.00 0.00 C ATOM 580 CG PHE A 38 8.969 3.880 -0.045 1.00 0.00 C ATOM 581 CD1 PHE A 38 7.795 3.138 0.017 1.00 0.00 C ATOM 582 CD2 PHE A 38 10.044 3.356 -0.767 1.00 0.00 C ATOM 583 CE1 PHE A 38 7.698 1.919 -0.613 1.00 0.00 C ATOM 584 CE2 PHE A 38 9.942 2.136 -1.395 1.00 0.00 C ATOM 585 CZ PHE A 38 8.767 1.423 -1.318 1.00 0.00 C ATOM 0 H PHE A 38 8.954 7.285 1.965 1.00 0.00 H new ATOM 0 HA PHE A 38 7.881 4.801 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 38 8.331 5.900 0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.051 5.654 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.949 3.523 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.966 3.915 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.781 1.352 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.781 1.739 -1.947 1.00 0.00 H new ATOM 0 HZ PHE A 38 8.685 0.468 -1.815 1.00 0.00 H new ATOM 595 N TYR A 39 11.128 4.811 2.932 1.00 0.00 N ATOM 596 CA TYR A 39 12.341 4.100 3.359 1.00 0.00 C ATOM 597 C TYR A 39 12.165 3.404 4.729 1.00 0.00 C ATOM 598 O TYR A 39 12.634 2.276 4.940 1.00 0.00 O ATOM 599 CB TYR A 39 13.493 5.130 3.411 1.00 0.00 C ATOM 600 CG TYR A 39 14.874 4.528 3.646 1.00 0.00 C ATOM 601 CD1 TYR A 39 15.456 3.718 2.677 1.00 0.00 C ATOM 602 CD2 TYR A 39 15.599 4.780 4.812 1.00 0.00 C ATOM 603 CE1 TYR A 39 16.708 3.165 2.862 1.00 0.00 C ATOM 604 CE2 TYR A 39 16.851 4.232 5.004 1.00 0.00 C ATOM 605 CZ TYR A 39 17.403 3.428 4.030 1.00 0.00 C ATOM 606 OH TYR A 39 18.649 2.884 4.229 1.00 0.00 O ATOM 0 H TYR A 39 11.296 5.797 2.734 1.00 0.00 H new ATOM 0 HA TYR A 39 12.561 3.306 2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.508 5.686 2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.285 5.848 4.204 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.919 3.517 1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.173 5.414 5.576 1.00 0.00 H new ATOM 0 HE1 TYR A 39 17.141 2.532 2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.396 4.432 5.914 1.00 0.00 H new ATOM 0 HH TYR A 39 18.996 3.171 5.100 1.00 0.00 H new ATOM 616 N PHE A 40 11.467 4.098 5.639 1.00 0.00 N ATOM 617 CA PHE A 40 11.263 3.660 7.038 1.00 0.00 C ATOM 618 C PHE A 40 9.761 3.515 7.375 1.00 0.00 C ATOM 619 O PHE A 40 9.409 3.179 8.512 1.00 0.00 O ATOM 620 CB PHE A 40 11.961 4.667 7.995 1.00 0.00 C ATOM 621 CG PHE A 40 11.474 6.112 7.882 1.00 0.00 C ATOM 622 CD1 PHE A 40 12.041 6.993 6.958 1.00 0.00 C ATOM 623 CD2 PHE A 40 10.455 6.598 8.702 1.00 0.00 C ATOM 624 CE1 PHE A 40 11.601 8.297 6.861 1.00 0.00 C ATOM 625 CE2 PHE A 40 10.020 7.904 8.601 1.00 0.00 C ATOM 626 CZ PHE A 40 10.595 8.754 7.684 1.00 0.00 C ATOM 0 H PHE A 40 11.021 4.990 5.427 1.00 0.00 H new ATOM 0 HA PHE A 40 11.709 2.674 7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.815 4.330 9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 40 13.033 4.645 7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.834 6.649 6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.999 5.941 9.428 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.047 8.962 6.137 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.227 8.259 9.243 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.258 9.777 7.610 1.00 0.00 H new ATOM 770 N LEU A 48 15.912 -2.108 1.904 1.00 0.00 N ATOM 771 CA LEU A 48 16.178 -1.212 0.749 1.00 0.00 C ATOM 772 C LEU A 48 17.621 -0.648 0.831 1.00 0.00 C ATOM 773 O LEU A 48 18.214 -0.278 -0.186 1.00 0.00 O ATOM 774 CB LEU A 48 15.083 -0.091 0.710 1.00 0.00 C ATOM 775 CG LEU A 48 14.979 0.832 -0.558 1.00 0.00 C ATOM 776 CD1 LEU A 48 15.995 1.984 -0.535 1.00 0.00 C ATOM 777 CD2 LEU A 48 15.085 0.017 -1.858 1.00 0.00 C ATOM 0 HA LEU A 48 16.117 -1.765 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.115 -0.573 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.242 0.554 1.574 1.00 0.00 H new ATOM 0 HG LEU A 48 13.990 1.288 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.879 2.589 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.822 2.604 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.006 1.577 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.009 0.687 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.044 -0.501 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.277 -0.714 -1.896 1.00 0.00 H new ATOM 789 N ASP A 49 18.176 -0.627 2.053 1.00 0.00 N ATOM 790 CA ASP A 49 19.555 -0.157 2.330 1.00 0.00 C ATOM 791 C ASP A 49 20.609 -0.982 1.544 1.00 0.00 C ATOM 792 O ASP A 49 21.648 -0.443 1.129 1.00 0.00 O ATOM 793 CB ASP A 49 19.817 -0.221 3.861 1.00 0.00 C ATOM 794 CG ASP A 49 21.233 0.208 4.304 1.00 0.00 C ATOM 795 OD1 ASP A 49 21.539 1.418 4.286 1.00 0.00 O ATOM 796 OD2 ASP A 49 22.033 -0.666 4.705 1.00 0.00 O ATOM 0 H ASP A 49 17.681 -0.937 2.889 1.00 0.00 H new ATOM 0 HA ASP A 49 19.650 0.875 1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.088 0.414 4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 49 19.641 -1.241 4.201 1.00 0.00 H new ATOM 801 N GLU A 50 20.314 -2.281 1.322 1.00 0.00 N ATOM 802 CA GLU A 50 21.180 -3.184 0.529 1.00 0.00 C ATOM 803 C GLU A 50 21.264 -2.731 -0.947 1.00 0.00 C ATOM 804 O GLU A 50 22.321 -2.818 -1.571 1.00 0.00 O ATOM 805 CB GLU A 50 20.658 -4.647 0.604 1.00 0.00 C ATOM 806 CG GLU A 50 21.537 -5.671 -0.144 1.00 0.00 C ATOM 807 CD GLU A 50 21.019 -7.119 -0.051 1.00 0.00 C ATOM 808 OE1 GLU A 50 20.123 -7.495 -0.834 1.00 0.00 O ATOM 809 OE2 GLU A 50 21.512 -7.888 0.803 1.00 0.00 O ATOM 0 H GLU A 50 19.474 -2.732 1.684 1.00 0.00 H new ATOM 0 HA GLU A 50 22.181 -3.140 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 50 20.587 -4.942 1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.649 -4.682 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 50 21.600 -5.384 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 50 22.549 -5.630 0.259 1.00 0.00 H new ATOM 816 N ILE A 51 20.135 -2.231 -1.473 1.00 0.00 N ATOM 817 CA ILE A 51 20.008 -1.763 -2.875 1.00 0.00 C ATOM 818 C ILE A 51 20.955 -0.564 -3.124 1.00 0.00 C ATOM 819 O ILE A 51 21.497 -0.394 -4.224 1.00 0.00 O ATOM 820 CB ILE A 51 18.497 -1.405 -3.218 1.00 0.00 C ATOM 821 CG1 ILE A 51 17.614 -2.694 -3.371 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.353 -0.514 -4.468 1.00 0.00 C ATOM 823 CD1 ILE A 51 17.361 -3.472 -2.099 1.00 0.00 C ATOM 0 H ILE A 51 19.272 -2.136 -0.937 1.00 0.00 H new ATOM 0 HA ILE A 51 20.306 -2.569 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 51 18.135 -0.829 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 51 16.652 -2.405 -3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.094 -3.357 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.298 -0.306 -4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 51 18.886 0.424 -4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 51 18.773 -1.029 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.741 -4.341 -2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 51 18.311 -3.802 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.848 -2.835 -1.379 1.00 0.00 H new ATOM 835 N LEU A 52 21.172 0.229 -2.066 1.00 0.00 N ATOM 836 CA LEU A 52 22.106 1.369 -2.086 1.00 0.00 C ATOM 837 C LEU A 52 23.571 0.897 -2.067 1.00 0.00 C ATOM 838 O LEU A 52 24.431 1.509 -2.715 1.00 0.00 O ATOM 839 CB LEU A 52 21.813 2.327 -0.895 1.00 0.00 C ATOM 840 CG LEU A 52 20.713 3.396 -1.139 1.00 0.00 C ATOM 841 CD1 LEU A 52 21.133 4.356 -2.259 1.00 0.00 C ATOM 842 CD2 LEU A 52 19.345 2.760 -1.434 1.00 0.00 C ATOM 0 H LEU A 52 20.705 0.100 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 52 21.953 1.915 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 52 21.523 1.726 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.738 2.839 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 52 20.602 3.969 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.350 5.098 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.058 4.859 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 52 21.290 3.794 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 52 18.607 3.545 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 52 19.418 2.138 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.039 2.146 -0.587 1.00 0.00 H new ATOM 854 N GLN A 53 23.846 -0.185 -1.317 1.00 0.00 N ATOM 855 CA GLN A 53 25.175 -0.826 -1.309 1.00 0.00 C ATOM 856 C GLN A 53 25.483 -1.375 -2.709 1.00 0.00 C ATOM 857 O GLN A 53 26.588 -1.216 -3.208 1.00 0.00 O ATOM 858 CB GLN A 53 25.247 -1.945 -0.235 1.00 0.00 C ATOM 859 CG GLN A 53 26.590 -2.707 -0.144 1.00 0.00 C ATOM 860 CD GLN A 53 27.821 -1.804 0.064 1.00 0.00 C ATOM 861 OE1 GLN A 53 28.177 -1.461 1.191 1.00 0.00 O ATOM 862 NE2 GLN A 53 28.500 -1.444 -1.023 1.00 0.00 N ATOM 0 H GLN A 53 23.164 -0.636 -0.707 1.00 0.00 H new ATOM 0 HA GLN A 53 25.929 -0.083 -1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.036 -1.502 0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 53 24.455 -2.666 -0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 53 26.534 -3.420 0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.729 -3.285 -1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.182 -1.743 -1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.338 -0.870 -0.934 1.00 0.00 H new ATOM 871 N GLN A 54 24.459 -1.964 -3.346 1.00 0.00 N ATOM 872 CA GLN A 54 24.544 -2.488 -4.719 1.00 0.00 C ATOM 873 C GLN A 54 24.816 -1.346 -5.721 1.00 0.00 C ATOM 874 O GLN A 54 25.656 -1.486 -6.599 1.00 0.00 O ATOM 875 CB GLN A 54 23.249 -3.268 -5.079 1.00 0.00 C ATOM 876 CG GLN A 54 23.029 -4.543 -4.228 1.00 0.00 C ATOM 877 CD GLN A 54 24.146 -5.589 -4.378 1.00 0.00 C ATOM 878 OE1 GLN A 54 24.755 -5.724 -5.445 1.00 0.00 O ATOM 879 NE2 GLN A 54 24.438 -6.325 -3.306 1.00 0.00 N ATOM 0 H GLN A 54 23.541 -2.091 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 54 25.381 -3.184 -4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.391 -2.607 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 54 23.285 -3.547 -6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 54 22.948 -4.259 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.079 -4.997 -4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.918 -6.191 -2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.181 -7.022 -3.353 1.00 0.00 H new ATOM 888 N HIS A 55 24.128 -0.202 -5.529 1.00 0.00 N ATOM 889 CA HIS A 55 24.355 1.033 -6.320 1.00 0.00 C ATOM 890 C HIS A 55 25.850 1.435 -6.300 1.00 0.00 C ATOM 891 O HIS A 55 26.432 1.740 -7.342 1.00 0.00 O ATOM 892 CB HIS A 55 23.454 2.179 -5.769 1.00 0.00 C ATOM 893 CG HIS A 55 23.804 3.579 -6.231 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.371 4.121 -7.422 1.00 0.00 N ATOM 895 CD2 HIS A 55 24.568 4.538 -5.647 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.842 5.345 -7.543 1.00 0.00 C ATOM 897 NE2 HIS A 55 24.570 5.622 -6.483 1.00 0.00 N ATOM 0 H HIS A 55 23.399 -0.104 -4.822 1.00 0.00 H new ATOM 0 HA HIS A 55 24.084 0.845 -7.359 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.422 1.971 -6.053 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.496 2.156 -4.680 1.00 0.00 H new ATOM 0 HD1 HIS A 55 22.778 3.648 -8.104 1.00 0.00 H new ATOM 0 HD2 HIS A 55 25.079 4.460 -4.699 1.00 0.00 H new ATOM 0 HE1 HIS A 55 23.661 6.010 -8.374 1.00 0.00 H new ATOM 906 N LYS A 56 26.454 1.395 -5.098 1.00 0.00 N ATOM 907 CA LYS A 56 27.865 1.769 -4.891 1.00 0.00 C ATOM 908 C LYS A 56 28.818 0.741 -5.540 1.00 0.00 C ATOM 909 O LYS A 56 29.551 1.076 -6.473 1.00 0.00 O ATOM 910 CB LYS A 56 28.173 1.890 -3.369 1.00 0.00 C ATOM 911 CG LYS A 56 29.651 2.238 -3.030 1.00 0.00 C ATOM 912 CD LYS A 56 29.913 2.348 -1.509 1.00 0.00 C ATOM 913 CE LYS A 56 31.364 2.764 -1.172 1.00 0.00 C ATOM 914 NZ LYS A 56 32.368 1.777 -1.657 1.00 0.00 N ATOM 0 H LYS A 56 25.978 1.103 -4.244 1.00 0.00 H new ATOM 0 HA LYS A 56 28.028 2.735 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 56 27.526 2.656 -2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.915 0.948 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 56 30.304 1.474 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.915 3.182 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 56 29.224 3.075 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.698 1.388 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.572 3.737 -1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 56 31.464 2.879 -0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.030 1.549 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 31.882 0.910 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.894 2.182 -2.458 1.00 0.00 H new ATOM 928 N LEU A 57 28.738 -0.521 -5.066 1.00 0.00 N ATOM 929 CA LEU A 57 29.770 -1.548 -5.321 1.00 0.00 C ATOM 930 C LEU A 57 29.871 -1.910 -6.804 1.00 0.00 C ATOM 931 O LEU A 57 30.978 -2.030 -7.322 1.00 0.00 O ATOM 932 CB LEU A 57 29.535 -2.815 -4.431 1.00 0.00 C ATOM 933 CG LEU A 57 28.239 -3.691 -4.688 1.00 0.00 C ATOM 934 CD1 LEU A 57 28.449 -4.796 -5.752 1.00 0.00 C ATOM 935 CD2 LEU A 57 27.707 -4.307 -3.380 1.00 0.00 C ATOM 0 H LEU A 57 27.959 -0.855 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 57 30.731 -1.117 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 57 30.402 -3.465 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.514 -2.490 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 57 27.493 -3.003 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 57 27.524 -5.358 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 57 28.730 -4.339 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 57 29.241 -5.470 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 57 26.818 -4.901 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 57 28.473 -4.945 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 57 27.452 -3.511 -2.680 1.00 0.00 H new ATOM 947 N LYS A 58 28.702 -2.041 -7.482 1.00 0.00 N ATOM 948 CA LYS A 58 28.637 -2.494 -8.888 1.00 0.00 C ATOM 949 C LYS A 58 29.453 -1.567 -9.782 1.00 0.00 C ATOM 950 O LYS A 58 30.462 -1.977 -10.365 1.00 0.00 O ATOM 951 CB LYS A 58 27.171 -2.548 -9.405 1.00 0.00 C ATOM 952 CG LYS A 58 26.270 -3.588 -8.708 1.00 0.00 C ATOM 953 CD LYS A 58 24.849 -3.641 -9.320 1.00 0.00 C ATOM 954 CE LYS A 58 23.900 -4.578 -8.548 1.00 0.00 C ATOM 955 NZ LYS A 58 24.503 -5.915 -8.292 1.00 0.00 N ATOM 0 H LYS A 58 27.791 -1.837 -7.072 1.00 0.00 H new ATOM 0 HA LYS A 58 29.053 -3.501 -8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 58 26.723 -1.562 -9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 58 27.187 -2.762 -10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 58 26.732 -4.573 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 58 26.197 -3.349 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.427 -2.636 -9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.917 -3.973 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.632 -4.116 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.977 -4.702 -9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.795 -6.655 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 25.319 -6.054 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.817 -5.971 -7.302 1.00 0.00 H new ATOM 969 N MET A 59 29.053 -0.289 -9.781 1.00 0.00 N ATOM 970 CA MET A 59 29.622 0.734 -10.664 1.00 0.00 C ATOM 971 C MET A 59 31.060 1.096 -10.265 1.00 0.00 C ATOM 972 O MET A 59 31.807 1.607 -11.086 1.00 0.00 O ATOM 973 CB MET A 59 28.725 1.995 -10.681 1.00 0.00 C ATOM 974 CG MET A 59 27.282 1.744 -11.152 1.00 0.00 C ATOM 975 SD MET A 59 26.331 3.269 -11.368 1.00 0.00 S ATOM 976 CE MET A 59 26.287 3.912 -9.701 1.00 0.00 C ATOM 0 H MET A 59 28.322 0.065 -9.164 1.00 0.00 H new ATOM 0 HA MET A 59 29.659 0.317 -11.670 1.00 0.00 H new ATOM 0 HB2 MET A 59 28.698 2.420 -9.678 1.00 0.00 H new ATOM 0 HB3 MET A 59 29.181 2.742 -11.331 1.00 0.00 H new ATOM 0 HG2 MET A 59 27.304 1.199 -12.096 1.00 0.00 H new ATOM 0 HG3 MET A 59 26.775 1.106 -10.428 1.00 0.00 H new ATOM 0 HE1 MET A 59 25.810 4.892 -9.702 1.00 0.00 H new ATOM 0 HE2 MET A 59 25.721 3.233 -9.064 1.00 0.00 H new ATOM 0 HE3 MET A 59 27.304 4.004 -9.320 1.00 0.00 H new ATOM 986 N GLU A 60 31.428 0.837 -9.000 1.00 0.00 N ATOM 987 CA GLU A 60 32.767 1.156 -8.474 1.00 0.00 C ATOM 988 C GLU A 60 33.807 0.124 -8.957 1.00 0.00 C ATOM 989 O GLU A 60 34.852 0.498 -9.505 1.00 0.00 O ATOM 990 CB GLU A 60 32.714 1.211 -6.923 1.00 0.00 C ATOM 991 CG GLU A 60 33.974 1.777 -6.237 1.00 0.00 C ATOM 992 CD GLU A 60 33.850 1.825 -4.701 1.00 0.00 C ATOM 993 OE1 GLU A 60 34.116 0.798 -4.040 1.00 0.00 O ATOM 994 OE2 GLU A 60 33.474 2.882 -4.144 1.00 0.00 O ATOM 0 H GLU A 60 30.810 0.403 -8.315 1.00 0.00 H new ATOM 0 HA GLU A 60 33.075 2.131 -8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.857 1.816 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.538 0.203 -6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 60 34.835 1.166 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.166 2.782 -6.613 1.00 0.00 H new ATOM 1001 N LYS A 61 33.484 -1.175 -8.781 1.00 0.00 N ATOM 1002 CA LYS A 61 34.423 -2.285 -9.063 1.00 0.00 C ATOM 1003 C LYS A 61 34.594 -2.519 -10.575 1.00 0.00 C ATOM 1004 O LYS A 61 35.704 -2.807 -11.033 1.00 0.00 O ATOM 1005 CB LYS A 61 33.973 -3.583 -8.337 1.00 0.00 C ATOM 1006 CG LYS A 61 32.626 -4.199 -8.810 1.00 0.00 C ATOM 1007 CD LYS A 61 32.071 -5.261 -7.824 1.00 0.00 C ATOM 1008 CE LYS A 61 33.018 -6.457 -7.622 1.00 0.00 C ATOM 1009 NZ LYS A 61 32.549 -7.376 -6.561 1.00 0.00 N ATOM 0 H LYS A 61 32.573 -1.484 -8.442 1.00 0.00 H new ATOM 0 HA LYS A 61 35.400 -1.999 -8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 61 34.755 -4.333 -8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 61 33.898 -3.371 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.891 -3.403 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 61 32.765 -4.657 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.883 -4.788 -6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.112 -5.624 -8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.111 -7.006 -8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 61 34.013 -6.090 -7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.220 -8.165 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 32.485 -6.862 -5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 31.612 -7.749 -6.814 1.00 0.00 H new ATOM 1023 N GLU A 62 33.486 -2.381 -11.346 1.00 0.00 N ATOM 1024 CA GLU A 62 33.513 -2.563 -12.815 1.00 0.00 C ATOM 1025 C GLU A 62 34.235 -1.385 -13.488 1.00 0.00 C ATOM 1026 O GLU A 62 34.830 -1.548 -14.548 1.00 0.00 O ATOM 1027 CB GLU A 62 32.078 -2.749 -13.402 1.00 0.00 C ATOM 1028 CG GLU A 62 31.171 -1.502 -13.340 1.00 0.00 C ATOM 1029 CD GLU A 62 29.736 -1.760 -13.833 1.00 0.00 C ATOM 1030 OE1 GLU A 62 28.912 -2.296 -13.056 1.00 0.00 O ATOM 1031 OE2 GLU A 62 29.428 -1.439 -14.997 1.00 0.00 O ATOM 0 H GLU A 62 32.566 -2.145 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 62 34.068 -3.477 -13.027 1.00 0.00 H new ATOM 0 HB2 GLU A 62 32.167 -3.061 -14.443 1.00 0.00 H new ATOM 0 HB3 GLU A 62 31.587 -3.561 -12.866 1.00 0.00 H new ATOM 0 HG2 GLU A 62 31.134 -1.141 -12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 62 31.616 -0.709 -13.941 1.00 0.00 H new ATOM 1038 N ARG A 63 34.172 -0.198 -12.848 1.00 0.00 N ATOM 1039 CA ARG A 63 34.870 1.013 -13.323 1.00 0.00 C ATOM 1040 C ARG A 63 36.381 0.860 -13.114 1.00 0.00 C ATOM 1041 O ARG A 63 37.167 1.118 -14.020 1.00 0.00 O ATOM 1042 CB ARG A 63 34.330 2.253 -12.585 1.00 0.00 C ATOM 1043 CG ARG A 63 34.938 3.604 -13.010 1.00 0.00 C ATOM 1044 CD ARG A 63 34.257 4.788 -12.300 1.00 0.00 C ATOM 1045 NE ARG A 63 34.265 4.618 -10.831 1.00 0.00 N ATOM 1046 CZ ARG A 63 35.063 5.274 -9.974 1.00 0.00 C ATOM 1047 NH1 ARG A 63 35.885 6.233 -10.399 1.00 0.00 N ATOM 1048 NH2 ARG A 63 35.031 4.971 -8.687 1.00 0.00 N ATOM 0 H ARG A 63 33.638 -0.054 -11.991 1.00 0.00 H new ATOM 0 HA ARG A 63 34.685 1.144 -14.389 1.00 0.00 H new ATOM 0 HB2 ARG A 63 33.251 2.299 -12.733 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.500 2.119 -11.517 1.00 0.00 H new ATOM 0 HG2 ARG A 63 36.004 3.610 -12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 63 34.840 3.723 -14.089 1.00 0.00 H new ATOM 0 HD2 ARG A 63 34.769 5.714 -12.563 1.00 0.00 H new ATOM 0 HD3 ARG A 63 33.229 4.881 -12.651 1.00 0.00 H new ATOM 0 HE ARG A 63 33.608 3.945 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 63 35.914 6.478 -11.389 1.00 0.00 H new ATOM 0 HH12 ARG A 63 36.485 6.722 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 63 34.402 4.242 -8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 63 35.635 5.466 -8.031 1.00 0.00 H new ATOM 1062 N ASN A 64 36.755 0.386 -11.918 1.00 0.00 N ATOM 1063 CA ASN A 64 38.160 0.124 -11.550 1.00 0.00 C ATOM 1064 C ASN A 64 38.770 -0.954 -12.471 1.00 0.00 C ATOM 1065 O ASN A 64 39.945 -0.876 -12.850 1.00 0.00 O ATOM 1066 CB ASN A 64 38.227 -0.304 -10.064 1.00 0.00 C ATOM 1067 CG ASN A 64 39.653 -0.530 -9.549 1.00 0.00 C ATOM 1068 OD1 ASN A 64 40.308 0.399 -9.068 1.00 0.00 O ATOM 1069 ND2 ASN A 64 40.136 -1.766 -9.620 1.00 0.00 N ATOM 0 H ASN A 64 36.092 0.171 -11.173 1.00 0.00 H new ATOM 0 HA ASN A 64 38.746 1.034 -11.680 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.747 0.461 -9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.654 -1.222 -9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 64 41.073 -1.968 -9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 64 39.570 -2.512 -10.023 1.00 0.00 H new