USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 644 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 Single : A 1 MET CE :methyl 167:sc= 0 (180deg=-0.164) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0114 (180deg=-0.208) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.069) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 20 TYR OH : rot 171:sc= -1.62! USER MOD Single : A 22 SER OG : rot 81:sc= 1.2 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.79) USER MOD Single : A 26 CYS SG : rot -114:sc= 0.127 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0827 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 40 GLN : amide:sc= -0.657 K(o=-0.66,f=-4.8!) USER MOD Single : A 43 TYR OH : rot 150:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.438 K(o=-0.44,f=-7.4!) USER MOD Single : A 58 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.61) USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= -0.081 (180deg=-1.45) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 18:sc= 0.1 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.332 X(o=-0.33,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.054 -11.401 8.236 1.00 0.00 N ATOM 2 CA MET A 1 -20.970 -10.910 9.127 1.00 0.00 C ATOM 3 C MET A 1 -19.821 -10.313 8.320 1.00 0.00 C ATOM 4 O MET A 1 -19.127 -9.409 8.784 1.00 0.00 O ATOM 5 CB MET A 1 -20.470 -12.081 9.976 1.00 0.00 C ATOM 6 CG MET A 1 -20.618 -11.855 11.471 1.00 0.00 C ATOM 7 SD MET A 1 -21.049 -13.362 12.363 1.00 0.00 S ATOM 8 CE MET A 1 -19.731 -14.455 11.837 1.00 0.00 C ATOM 0 H1 MET A 1 -22.906 -11.596 8.800 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.271 -10.677 7.521 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.745 -12.274 7.762 1.00 0.00 H new ATOM 0 HA MET A 1 -21.363 -10.122 9.769 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.018 -12.981 9.697 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.420 -12.263 9.747 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.684 -11.457 11.868 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.386 -11.102 11.646 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.720 -15.342 12.470 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.895 -14.751 10.801 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.775 -13.938 11.920 1.00 0.00 H new ATOM 18 N LYS A 2 -19.626 -10.824 7.108 1.00 0.00 N ATOM 19 CA LYS A 2 -18.561 -10.341 6.237 1.00 0.00 C ATOM 20 C LYS A 2 -19.076 -9.250 5.299 1.00 0.00 C ATOM 21 O LYS A 2 -20.183 -9.351 4.769 1.00 0.00 O ATOM 22 CB LYS A 2 -17.976 -11.496 5.422 1.00 0.00 C ATOM 23 CG LYS A 2 -18.971 -12.126 4.460 1.00 0.00 C ATOM 24 CD LYS A 2 -18.433 -13.419 3.871 1.00 0.00 C ATOM 25 CE LYS A 2 -19.548 -14.418 3.605 1.00 0.00 C ATOM 26 NZ LYS A 2 -19.058 -15.613 2.864 1.00 0.00 N ATOM 0 H LYS A 2 -20.192 -11.572 6.707 1.00 0.00 H new ATOM 0 HA LYS A 2 -17.778 -9.915 6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -17.117 -11.133 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.608 -12.262 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.907 -12.324 4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.196 -11.425 3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -17.906 -13.205 2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.707 -13.857 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.987 -14.733 4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -20.339 -13.935 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.848 -16.269 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.662 -15.316 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.321 -16.089 3.422 1.00 0.00 H new ATOM 40 N PRO A 3 -18.280 -8.188 5.082 1.00 0.00 N ATOM 41 CA PRO A 3 -18.665 -7.081 4.203 1.00 0.00 C ATOM 42 C PRO A 3 -18.532 -7.438 2.727 1.00 0.00 C ATOM 43 O PRO A 3 -18.005 -8.495 2.379 1.00 0.00 O ATOM 44 CB PRO A 3 -17.673 -5.981 4.578 1.00 0.00 C ATOM 45 CG PRO A 3 -16.456 -6.713 5.024 1.00 0.00 C ATOM 46 CD PRO A 3 -16.942 -7.982 5.673 1.00 0.00 C ATOM 0 HA PRO A 3 -19.710 -6.799 4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.458 -5.334 3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -18.067 -5.345 5.371 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.803 -6.933 4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -15.877 -6.114 5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.278 -8.820 5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.994 -7.883 6.757 1.00 0.00 H new ATOM 54 N ARG A 4 -19.013 -6.551 1.861 1.00 0.00 N ATOM 55 CA ARG A 4 -18.946 -6.775 0.422 1.00 0.00 C ATOM 56 C ARG A 4 -17.499 -6.749 -0.073 1.00 0.00 C ATOM 57 O ARG A 4 -17.040 -7.702 -0.704 1.00 0.00 O ATOM 58 CB ARG A 4 -19.785 -5.730 -0.322 1.00 0.00 C ATOM 59 CG ARG A 4 -19.741 -5.875 -1.835 1.00 0.00 C ATOM 60 CD ARG A 4 -20.082 -4.567 -2.530 1.00 0.00 C ATOM 61 NE ARG A 4 -19.045 -3.557 -2.334 1.00 0.00 N ATOM 62 CZ ARG A 4 -17.899 -3.530 -3.010 1.00 0.00 C ATOM 63 NH1 ARG A 4 -17.639 -4.455 -3.927 1.00 0.00 N ATOM 64 NH2 ARG A 4 -17.010 -2.576 -2.770 1.00 0.00 N ATOM 0 H ARG A 4 -19.453 -5.671 2.131 1.00 0.00 H new ATOM 0 HA ARG A 4 -19.355 -7.764 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -20.820 -5.804 0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -19.433 -4.735 -0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -18.748 -6.203 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -20.443 -6.648 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -20.216 -4.747 -3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -21.031 -4.191 -2.149 1.00 0.00 H new ATOM 0 HE ARG A 4 -19.209 -2.830 -1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -18.319 -5.191 -4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.759 -4.429 -4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -17.204 -1.863 -2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.132 -2.555 -3.288 1.00 0.00 H new ATOM 78 N PRO A 5 -16.752 -5.661 0.203 1.00 0.00 N ATOM 79 CA PRO A 5 -15.354 -5.542 -0.227 1.00 0.00 C ATOM 80 C PRO A 5 -14.453 -6.567 0.454 1.00 0.00 C ATOM 81 O PRO A 5 -14.495 -6.733 1.673 1.00 0.00 O ATOM 82 CB PRO A 5 -14.963 -4.122 0.195 1.00 0.00 C ATOM 83 CG PRO A 5 -15.913 -3.774 1.287 1.00 0.00 C ATOM 84 CD PRO A 5 -17.200 -4.469 0.948 1.00 0.00 C ATOM 0 HA PRO A 5 -15.242 -5.725 -1.296 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -13.930 -4.083 0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.046 -3.425 -0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -15.534 -4.103 2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -16.056 -2.695 1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.759 -4.740 1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.852 -3.838 0.344 1.00 0.00 H new ATOM 92 N GLY A 6 -13.638 -7.253 -0.342 1.00 0.00 N ATOM 93 CA GLY A 6 -12.740 -8.254 0.202 1.00 0.00 C ATOM 94 C GLY A 6 -11.347 -7.711 0.450 1.00 0.00 C ATOM 95 O GLY A 6 -10.943 -6.717 -0.153 1.00 0.00 O ATOM 0 H GLY A 6 -13.584 -7.133 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -13.150 -8.635 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.681 -9.097 -0.487 1.00 0.00 H new ATOM 99 N VAL A 7 -10.609 -8.367 1.340 1.00 0.00 N ATOM 100 CA VAL A 7 -9.252 -7.948 1.669 1.00 0.00 C ATOM 101 C VAL A 7 -8.219 -8.887 1.053 1.00 0.00 C ATOM 102 O VAL A 7 -7.060 -8.515 0.868 1.00 0.00 O ATOM 103 CB VAL A 7 -9.033 -7.892 3.194 1.00 0.00 C ATOM 104 CG1 VAL A 7 -7.670 -7.301 3.518 1.00 0.00 C ATOM 105 CG2 VAL A 7 -10.141 -7.093 3.865 1.00 0.00 C ATOM 0 H VAL A 7 -10.929 -9.192 1.847 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.123 -6.948 1.254 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.064 -8.910 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.535 -7.270 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.890 -7.919 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.607 -6.290 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.969 -7.065 4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.146 -6.076 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.103 -7.565 3.664 1.00 0.00 H new ATOM 115 N PHE A 8 -8.644 -10.108 0.737 1.00 0.00 N ATOM 116 CA PHE A 8 -7.754 -11.099 0.142 1.00 0.00 C ATOM 117 C PHE A 8 -6.618 -11.455 1.097 1.00 0.00 C ATOM 118 O PHE A 8 -6.684 -12.458 1.808 1.00 0.00 O ATOM 119 CB PHE A 8 -7.190 -10.579 -1.183 1.00 0.00 C ATOM 120 CG PHE A 8 -8.010 -10.969 -2.380 1.00 0.00 C ATOM 121 CD1 PHE A 8 -9.207 -10.327 -2.655 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.585 -11.978 -3.230 1.00 0.00 C ATOM 123 CE1 PHE A 8 -9.965 -10.683 -3.755 1.00 0.00 C ATOM 124 CE2 PHE A 8 -8.338 -12.339 -4.332 1.00 0.00 C ATOM 125 CZ PHE A 8 -9.529 -11.690 -4.594 1.00 0.00 C ATOM 0 H PHE A 8 -9.599 -10.434 0.883 1.00 0.00 H new ATOM 0 HA PHE A 8 -8.332 -12.003 -0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.122 -9.492 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.175 -10.957 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.552 -9.539 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.655 -12.488 -3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.896 -10.175 -3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.996 -13.127 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.119 -11.970 -5.454 1.00 0.00 H new ATOM 135 N VAL A 9 -5.579 -10.626 1.112 1.00 0.00 N ATOM 136 CA VAL A 9 -4.430 -10.850 1.982 1.00 0.00 C ATOM 137 C VAL A 9 -3.712 -9.538 2.272 1.00 0.00 C ATOM 138 O VAL A 9 -3.388 -9.234 3.420 1.00 0.00 O ATOM 139 CB VAL A 9 -3.430 -11.842 1.354 1.00 0.00 C ATOM 140 CG1 VAL A 9 -2.326 -12.186 2.342 1.00 0.00 C ATOM 141 CG2 VAL A 9 -4.146 -13.100 0.886 1.00 0.00 C ATOM 0 H VAL A 9 -5.509 -9.791 0.530 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.809 -11.275 2.911 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.974 -11.367 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.630 -12.887 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.793 -11.278 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.762 -12.640 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.424 -13.787 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.632 -13.579 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.896 -12.836 0.141 1.00 0.00 H new ATOM 151 N ASP A 10 -3.473 -8.762 1.220 1.00 0.00 N ATOM 152 CA ASP A 10 -2.800 -7.476 1.354 1.00 0.00 C ATOM 153 C ASP A 10 -3.514 -6.401 0.538 1.00 0.00 C ATOM 154 O ASP A 10 -2.924 -5.378 0.193 1.00 0.00 O ATOM 155 CB ASP A 10 -1.340 -7.594 0.907 1.00 0.00 C ATOM 156 CG ASP A 10 -0.368 -7.201 2.002 1.00 0.00 C ATOM 157 OD1 ASP A 10 -0.655 -6.230 2.732 1.00 0.00 O ATOM 158 OD2 ASP A 10 0.683 -7.866 2.130 1.00 0.00 O ATOM 0 H ASP A 10 -3.736 -9.002 0.264 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.827 -7.184 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.139 -8.620 0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.177 -6.960 0.035 1.00 0.00 H new ATOM 163 N ARG A 11 -4.787 -6.640 0.232 1.00 0.00 N ATOM 164 CA ARG A 11 -5.578 -5.691 -0.542 1.00 0.00 C ATOM 165 C ARG A 11 -5.630 -4.331 0.147 1.00 0.00 C ATOM 166 O ARG A 11 -5.726 -3.295 -0.512 1.00 0.00 O ATOM 167 CB ARG A 11 -6.997 -6.226 -0.748 1.00 0.00 C ATOM 168 CG ARG A 11 -7.752 -5.528 -1.869 1.00 0.00 C ATOM 169 CD ARG A 11 -7.915 -6.428 -3.086 1.00 0.00 C ATOM 170 NE ARG A 11 -7.243 -5.884 -4.264 1.00 0.00 N ATOM 171 CZ ARG A 11 -5.937 -5.995 -4.491 1.00 0.00 C ATOM 172 NH1 ARG A 11 -5.156 -6.627 -3.623 1.00 0.00 N ATOM 173 NH2 ARG A 11 -5.408 -5.472 -5.590 1.00 0.00 N ATOM 0 H ARG A 11 -5.291 -7.482 0.509 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.099 -5.566 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.947 -7.293 -0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.557 -6.115 0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.734 -5.221 -1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.220 -4.621 -2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.512 -7.416 -2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.976 -6.558 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.809 -5.390 -4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.557 -7.031 -2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.155 -6.709 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.003 -4.985 -6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.407 -5.557 -5.764 1.00 0.00 H new ATOM 187 N LYS A 12 -5.568 -4.339 1.475 1.00 0.00 N ATOM 188 CA LYS A 12 -5.610 -3.104 2.250 1.00 0.00 C ATOM 189 C LYS A 12 -4.525 -2.132 1.796 1.00 0.00 C ATOM 190 O LYS A 12 -4.741 -0.922 1.758 1.00 0.00 O ATOM 191 CB LYS A 12 -5.444 -3.403 3.741 1.00 0.00 C ATOM 192 CG LYS A 12 -6.744 -3.778 4.434 1.00 0.00 C ATOM 193 CD LYS A 12 -6.487 -4.503 5.745 1.00 0.00 C ATOM 194 CE LYS A 12 -6.666 -3.579 6.939 1.00 0.00 C ATOM 195 NZ LYS A 12 -6.683 -4.328 8.226 1.00 0.00 N ATOM 0 H LYS A 12 -5.489 -5.187 2.037 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.582 -2.640 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.729 -4.217 3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.018 -2.529 4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.329 -2.878 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.338 -4.413 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.169 -5.349 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.475 -4.908 5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.858 -2.848 6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.597 -3.023 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.807 -3.661 9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.470 -5.008 8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.784 -4.838 8.342 1.00 0.00 H new ATOM 209 N LEU A 13 -3.360 -2.668 1.446 1.00 0.00 N ATOM 210 CA LEU A 13 -2.248 -1.841 0.990 1.00 0.00 C ATOM 211 C LEU A 13 -2.663 -1.000 -0.213 1.00 0.00 C ATOM 212 O LEU A 13 -2.319 0.178 -0.309 1.00 0.00 O ATOM 213 CB LEU A 13 -1.047 -2.715 0.626 1.00 0.00 C ATOM 214 CG LEU A 13 0.320 -2.052 0.815 1.00 0.00 C ATOM 215 CD1 LEU A 13 0.378 -0.727 0.070 1.00 0.00 C ATOM 216 CD2 LEU A 13 0.612 -1.847 2.294 1.00 0.00 C ATOM 0 H LEU A 13 -3.162 -3.668 1.469 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.965 -1.173 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.081 -3.621 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.143 -3.023 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 13 1.083 -2.711 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.357 -0.270 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.213 -0.900 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.394 -0.060 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.587 -1.375 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.155 -1.208 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.613 -2.812 2.802 1.00 0.00 H new ATOM 228 N LYS A 14 -3.412 -1.614 -1.123 1.00 0.00 N ATOM 229 CA LYS A 14 -3.883 -0.924 -2.317 1.00 0.00 C ATOM 230 C LYS A 14 -5.026 0.027 -1.976 1.00 0.00 C ATOM 231 O LYS A 14 -4.989 1.207 -2.324 1.00 0.00 O ATOM 232 CB LYS A 14 -4.343 -1.935 -3.368 1.00 0.00 C ATOM 233 CG LYS A 14 -4.681 -1.305 -4.709 1.00 0.00 C ATOM 234 CD LYS A 14 -5.834 -2.026 -5.388 1.00 0.00 C ATOM 235 CE LYS A 14 -7.177 -1.560 -4.851 1.00 0.00 C ATOM 236 NZ LYS A 14 -8.315 -2.149 -5.610 1.00 0.00 N ATOM 0 H LYS A 14 -3.706 -2.589 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.055 -0.342 -2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.559 -2.679 -3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.219 -2.464 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.941 -0.256 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.804 -1.330 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.791 -1.852 -6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.733 -3.100 -5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.262 -1.834 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.231 -0.473 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.212 -1.806 -5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.249 -1.867 -6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.279 -3.186 -5.540 1.00 0.00 H new ATOM 250 N GLN A 15 -6.040 -0.498 -1.294 1.00 0.00 N ATOM 251 CA GLN A 15 -7.199 0.299 -0.905 1.00 0.00 C ATOM 252 C GLN A 15 -6.784 1.490 -0.046 1.00 0.00 C ATOM 253 O GLN A 15 -7.270 2.604 -0.236 1.00 0.00 O ATOM 254 CB GLN A 15 -8.204 -0.567 -0.142 1.00 0.00 C ATOM 255 CG GLN A 15 -9.493 0.161 0.205 1.00 0.00 C ATOM 256 CD GLN A 15 -10.715 -0.486 -0.416 1.00 0.00 C ATOM 257 OE1 GLN A 15 -11.756 -0.621 0.228 1.00 0.00 O ATOM 258 NE2 GLN A 15 -10.595 -0.892 -1.675 1.00 0.00 N ATOM 0 H GLN A 15 -6.082 -1.473 -0.999 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.667 0.678 -1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.443 -1.446 -0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.739 -0.924 0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.611 0.186 1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.424 1.195 -0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.714 -0.760 -2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.384 -1.335 -2.145 1.00 0.00 H new ATOM 267 N ARG A 16 -5.883 1.247 0.899 1.00 0.00 N ATOM 268 CA ARG A 16 -5.406 2.302 1.783 1.00 0.00 C ATOM 269 C ARG A 16 -4.608 3.342 1.002 1.00 0.00 C ATOM 270 O ARG A 16 -4.773 4.546 1.203 1.00 0.00 O ATOM 271 CB ARG A 16 -4.546 1.712 2.903 1.00 0.00 C ATOM 272 CG ARG A 16 -4.492 2.580 4.149 1.00 0.00 C ATOM 273 CD ARG A 16 -5.797 2.521 4.926 1.00 0.00 C ATOM 274 NE ARG A 16 -6.074 1.178 5.429 1.00 0.00 N ATOM 275 CZ ARG A 16 -7.005 0.904 6.340 1.00 0.00 C ATOM 276 NH1 ARG A 16 -7.753 1.878 6.847 1.00 0.00 N ATOM 277 NH2 ARG A 16 -7.192 -0.345 6.743 1.00 0.00 N ATOM 0 H ARG A 16 -5.469 0.331 1.072 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.273 2.792 2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.936 0.730 3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.533 1.561 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.672 2.251 4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.282 3.612 3.866 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.753 3.219 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.616 2.844 4.284 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.521 0.404 5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.615 2.840 6.538 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.465 1.663 7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.622 -1.097 6.355 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.906 -0.554 7.441 1.00 0.00 H new ATOM 291 N VAL A 17 -3.746 2.869 0.107 1.00 0.00 N ATOM 292 CA VAL A 17 -2.927 3.759 -0.705 1.00 0.00 C ATOM 293 C VAL A 17 -3.794 4.591 -1.648 1.00 0.00 C ATOM 294 O VAL A 17 -3.685 5.815 -1.681 1.00 0.00 O ATOM 295 CB VAL A 17 -1.878 2.965 -1.520 1.00 0.00 C ATOM 296 CG1 VAL A 17 -1.344 3.783 -2.688 1.00 0.00 C ATOM 297 CG2 VAL A 17 -0.736 2.520 -0.621 1.00 0.00 C ATOM 0 H VAL A 17 -3.598 1.876 -0.073 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.403 4.431 -0.025 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.372 2.083 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.610 3.195 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.167 4.050 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.873 4.691 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.006 1.963 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.256 3.395 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.125 1.883 0.173 1.00 0.00 H new ATOM 307 N ILE A 18 -4.653 3.924 -2.413 1.00 0.00 N ATOM 308 CA ILE A 18 -5.529 4.616 -3.353 1.00 0.00 C ATOM 309 C ILE A 18 -6.351 5.694 -2.652 1.00 0.00 C ATOM 310 O ILE A 18 -6.591 6.766 -3.208 1.00 0.00 O ATOM 311 CB ILE A 18 -6.481 3.637 -4.072 1.00 0.00 C ATOM 312 CG1 ILE A 18 -7.426 2.970 -3.070 1.00 0.00 C ATOM 313 CG2 ILE A 18 -5.685 2.589 -4.837 1.00 0.00 C ATOM 314 CD1 ILE A 18 -8.451 2.064 -3.719 1.00 0.00 C ATOM 0 H ILE A 18 -4.761 2.910 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.883 5.084 -4.095 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.083 4.202 -4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.838 2.390 -2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.944 3.742 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.371 1.906 -5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.055 3.080 -5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.059 2.029 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.087 1.625 -2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.064 2.644 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.941 1.270 -4.265 1.00 0.00 H new ATOM 326 N GLN A 19 -6.776 5.403 -1.427 1.00 0.00 N ATOM 327 CA GLN A 19 -7.567 6.347 -0.649 1.00 0.00 C ATOM 328 C GLN A 19 -6.707 7.512 -0.168 1.00 0.00 C ATOM 329 O GLN A 19 -7.194 8.631 -0.008 1.00 0.00 O ATOM 330 CB GLN A 19 -8.207 5.643 0.548 1.00 0.00 C ATOM 331 CG GLN A 19 -9.366 4.735 0.173 1.00 0.00 C ATOM 332 CD GLN A 19 -10.659 5.120 0.863 1.00 0.00 C ATOM 333 OE1 GLN A 19 -10.724 5.189 2.091 1.00 0.00 O ATOM 334 NE2 GLN A 19 -11.699 5.373 0.077 1.00 0.00 N ATOM 0 H GLN A 19 -6.585 4.521 -0.952 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.353 6.741 -1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.447 5.054 1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.559 6.394 1.255 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.512 4.767 -0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.114 3.706 0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.601 5.304 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.595 5.636 0.486 1.00 0.00 H new ATOM 343 N TYR A 20 -5.428 7.238 0.069 1.00 0.00 N ATOM 344 CA TYR A 20 -4.501 8.262 0.541 1.00 0.00 C ATOM 345 C TYR A 20 -4.119 9.229 -0.578 1.00 0.00 C ATOM 346 O TYR A 20 -4.004 10.434 -0.351 1.00 0.00 O ATOM 347 CB TYR A 20 -3.244 7.612 1.121 1.00 0.00 C ATOM 348 CG TYR A 20 -3.364 7.269 2.589 1.00 0.00 C ATOM 349 CD1 TYR A 20 -3.882 8.186 3.495 1.00 0.00 C ATOM 350 CD2 TYR A 20 -2.963 6.028 3.066 1.00 0.00 C ATOM 351 CE1 TYR A 20 -3.996 7.875 4.837 1.00 0.00 C ATOM 352 CE2 TYR A 20 -3.075 5.710 4.407 1.00 0.00 C ATOM 353 CZ TYR A 20 -3.591 6.637 5.288 1.00 0.00 C ATOM 354 OH TYR A 20 -3.704 6.324 6.622 1.00 0.00 O ATOM 0 H TYR A 20 -5.010 6.316 -0.058 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.005 8.831 1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.023 6.703 0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.399 8.286 0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.201 9.157 3.145 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.557 5.300 2.379 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.401 8.599 5.529 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.760 4.740 4.763 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.513 5.372 6.752 1.00 0.00 H new ATOM 364 N LEU A 21 -3.921 8.700 -1.782 1.00 0.00 N ATOM 365 CA LEU A 21 -3.551 9.531 -2.924 1.00 0.00 C ATOM 366 C LEU A 21 -4.741 10.356 -3.401 1.00 0.00 C ATOM 367 O LEU A 21 -4.624 11.560 -3.631 1.00 0.00 O ATOM 368 CB LEU A 21 -3.021 8.673 -4.081 1.00 0.00 C ATOM 369 CG LEU A 21 -2.225 7.427 -3.674 1.00 0.00 C ATOM 370 CD1 LEU A 21 -2.708 6.208 -4.447 1.00 0.00 C ATOM 371 CD2 LEU A 21 -0.735 7.643 -3.901 1.00 0.00 C ATOM 0 H LEU A 21 -4.010 7.706 -1.992 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.760 10.206 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.867 8.358 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.387 9.297 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.389 7.250 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.132 5.334 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.764 6.038 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.575 6.379 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.188 6.747 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.554 7.848 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.395 8.489 -3.304 1.00 0.00 H new ATOM 383 N SER A 22 -5.886 9.698 -3.550 1.00 0.00 N ATOM 384 CA SER A 22 -7.101 10.367 -4.002 1.00 0.00 C ATOM 385 C SER A 22 -7.493 11.492 -3.049 1.00 0.00 C ATOM 386 O SER A 22 -7.746 12.619 -3.474 1.00 0.00 O ATOM 387 CB SER A 22 -8.246 9.360 -4.122 1.00 0.00 C ATOM 388 OG SER A 22 -7.915 8.314 -5.017 1.00 0.00 O ATOM 0 H SER A 22 -5.998 8.701 -3.364 1.00 0.00 H new ATOM 0 HA SER A 22 -6.903 10.801 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.473 8.944 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.146 9.868 -4.469 1.00 0.00 H new ATOM 0 HG SER A 22 -7.356 7.654 -4.556 1.00 0.00 H new ATOM 394 N SER A 23 -7.539 11.179 -1.758 1.00 0.00 N ATOM 395 CA SER A 23 -7.901 12.164 -0.745 1.00 0.00 C ATOM 396 C SER A 23 -6.905 13.320 -0.731 1.00 0.00 C ATOM 397 O SER A 23 -7.289 14.482 -0.599 1.00 0.00 O ATOM 398 CB SER A 23 -7.961 11.510 0.635 1.00 0.00 C ATOM 399 OG SER A 23 -8.837 12.214 1.497 1.00 0.00 O ATOM 0 H SER A 23 -7.330 10.251 -1.389 1.00 0.00 H new ATOM 0 HA SER A 23 -8.886 12.559 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.295 10.477 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.962 11.482 1.071 1.00 0.00 H new ATOM 0 HG SER A 23 -8.858 11.774 2.372 1.00 0.00 H new ATOM 405 N ASN A 24 -5.624 12.992 -0.868 1.00 0.00 N ATOM 406 CA ASN A 24 -4.573 14.002 -0.870 1.00 0.00 C ATOM 407 C ASN A 24 -3.331 13.491 -1.592 1.00 0.00 C ATOM 408 O ASN A 24 -3.151 12.286 -1.761 1.00 0.00 O ATOM 409 CB ASN A 24 -4.217 14.402 0.563 1.00 0.00 C ATOM 410 CG ASN A 24 -3.779 13.217 1.401 1.00 0.00 C ATOM 411 OD1 ASN A 24 -2.587 12.931 1.516 1.00 0.00 O ATOM 412 ND2 ASN A 24 -4.743 12.522 1.991 1.00 0.00 N ATOM 0 H ASN A 24 -5.289 12.035 -0.979 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.946 14.878 -1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.419 15.144 0.543 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.080 14.875 1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.509 11.714 2.568 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.718 12.796 1.868 1.00 0.00 H new ATOM 419 N ARG A 25 -2.475 14.416 -2.016 1.00 0.00 N ATOM 420 CA ARG A 25 -1.249 14.057 -2.719 1.00 0.00 C ATOM 421 C ARG A 25 -0.339 13.216 -1.830 1.00 0.00 C ATOM 422 O ARG A 25 0.170 12.177 -2.251 1.00 0.00 O ATOM 423 CB ARG A 25 -0.513 15.317 -3.178 1.00 0.00 C ATOM 424 CG ARG A 25 -0.135 16.251 -2.039 1.00 0.00 C ATOM 425 CD ARG A 25 0.176 17.652 -2.543 1.00 0.00 C ATOM 426 NE ARG A 25 1.500 18.104 -2.123 1.00 0.00 N ATOM 427 CZ ARG A 25 2.133 19.144 -2.660 1.00 0.00 C ATOM 428 NH1 ARG A 25 1.570 19.842 -3.637 1.00 0.00 N ATOM 429 NH2 ARG A 25 3.336 19.487 -2.218 1.00 0.00 N ATOM 0 H ARG A 25 -2.608 15.419 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.520 13.465 -3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.391 15.025 -3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.142 15.857 -3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.952 16.296 -1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.732 15.852 -1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.116 17.667 -3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.578 18.346 -2.173 1.00 0.00 H new ATOM 0 HE ARG A 25 1.967 17.592 -1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.646 19.583 -3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.061 20.638 -4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.775 18.954 -1.467 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.822 20.284 -2.629 1.00 0.00 H new ATOM 443 N CYS A 26 -0.140 13.671 -0.597 1.00 0.00 N ATOM 444 CA CYS A 26 0.706 12.959 0.354 1.00 0.00 C ATOM 445 C CYS A 26 2.143 12.871 -0.152 1.00 0.00 C ATOM 446 O CYS A 26 2.750 11.799 -0.142 1.00 0.00 O ATOM 447 CB CYS A 26 0.152 11.556 0.610 1.00 0.00 C ATOM 448 SG CYS A 26 0.345 10.986 2.315 1.00 0.00 S ATOM 0 H CYS A 26 -0.553 14.530 -0.233 1.00 0.00 H new ATOM 0 HA CYS A 26 0.707 13.517 1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.907 11.542 0.351 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.652 10.853 -0.056 1.00 0.00 H new ATOM 0 HG CYS A 26 1.158 9.972 2.344 1.00 0.00 H new ATOM 454 N GLY A 27 2.684 14.002 -0.591 1.00 0.00 N ATOM 455 CA GLY A 27 4.047 14.026 -1.092 1.00 0.00 C ATOM 456 C GLY A 27 4.149 14.566 -2.507 1.00 0.00 C ATOM 457 O GLY A 27 5.250 14.787 -3.011 1.00 0.00 O ATOM 0 H GLY A 27 2.204 14.902 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.661 14.637 -0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.457 13.016 -1.064 1.00 0.00 H new ATOM 461 N LYS A 28 3.004 14.778 -3.153 1.00 0.00 N ATOM 462 CA LYS A 28 2.979 15.293 -4.519 1.00 0.00 C ATOM 463 C LYS A 28 3.493 14.246 -5.503 1.00 0.00 C ATOM 464 O LYS A 28 2.742 13.745 -6.340 1.00 0.00 O ATOM 465 CB LYS A 28 3.817 16.568 -4.629 1.00 0.00 C ATOM 466 CG LYS A 28 3.390 17.480 -5.768 1.00 0.00 C ATOM 467 CD LYS A 28 4.557 18.303 -6.289 1.00 0.00 C ATOM 468 CE LYS A 28 4.745 19.578 -5.483 1.00 0.00 C ATOM 469 NZ LYS A 28 4.256 20.777 -6.217 1.00 0.00 N ATOM 0 H LYS A 28 2.083 14.601 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 28 1.945 15.528 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.752 17.118 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.863 16.295 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.975 16.881 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.598 18.146 -5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.469 17.708 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.387 18.555 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.213 19.490 -4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.801 19.704 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.402 21.625 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.781 20.876 -7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.242 20.669 -6.422 1.00 0.00 H new ATOM 483 N TYR A 29 4.777 13.921 -5.395 1.00 0.00 N ATOM 484 CA TYR A 29 5.392 12.933 -6.274 1.00 0.00 C ATOM 485 C TYR A 29 5.927 11.751 -5.470 1.00 0.00 C ATOM 486 O TYR A 29 7.006 11.229 -5.750 1.00 0.00 O ATOM 487 CB TYR A 29 6.522 13.577 -7.084 1.00 0.00 C ATOM 488 CG TYR A 29 6.160 13.831 -8.530 1.00 0.00 C ATOM 489 CD1 TYR A 29 5.022 14.555 -8.863 1.00 0.00 C ATOM 490 CD2 TYR A 29 6.955 13.347 -9.561 1.00 0.00 C ATOM 491 CE1 TYR A 29 4.687 14.789 -10.183 1.00 0.00 C ATOM 492 CE2 TYR A 29 6.628 13.578 -10.883 1.00 0.00 C ATOM 493 CZ TYR A 29 5.493 14.298 -11.189 1.00 0.00 C ATOM 494 OH TYR A 29 5.163 14.530 -12.505 1.00 0.00 O ATOM 0 H TYR A 29 5.412 14.327 -4.708 1.00 0.00 H new ATOM 0 HA TYR A 29 4.630 12.563 -6.961 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.801 14.521 -6.616 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.399 12.931 -7.046 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.389 14.941 -8.078 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.844 12.781 -9.325 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.799 15.353 -10.426 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.258 13.197 -11.673 1.00 0.00 H new ATOM 0 HH TYR A 29 5.834 14.118 -13.088 1.00 0.00 H new ATOM 504 N VAL A 30 5.160 11.330 -4.468 1.00 0.00 N ATOM 505 CA VAL A 30 5.553 10.210 -3.622 1.00 0.00 C ATOM 506 C VAL A 30 5.808 8.954 -4.453 1.00 0.00 C ATOM 507 O VAL A 30 4.912 8.454 -5.130 1.00 0.00 O ATOM 508 CB VAL A 30 4.476 9.903 -2.561 1.00 0.00 C ATOM 509 CG1 VAL A 30 3.168 9.498 -3.223 1.00 0.00 C ATOM 510 CG2 VAL A 30 4.958 8.823 -1.603 1.00 0.00 C ATOM 0 H VAL A 30 4.263 11.749 -4.223 1.00 0.00 H new ATOM 0 HA VAL A 30 6.475 10.501 -3.119 1.00 0.00 H new ATOM 0 HB VAL A 30 4.295 10.810 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.423 9.286 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.815 10.311 -3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.328 8.607 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.184 8.621 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.173 7.911 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.863 9.162 -1.099 1.00 0.00 H new ATOM 520 N ASP A 31 7.038 8.453 -4.394 1.00 0.00 N ATOM 521 CA ASP A 31 7.411 7.257 -5.141 1.00 0.00 C ATOM 522 C ASP A 31 7.148 5.999 -4.321 1.00 0.00 C ATOM 523 O ASP A 31 6.616 6.069 -3.212 1.00 0.00 O ATOM 524 CB ASP A 31 8.887 7.323 -5.542 1.00 0.00 C ATOM 525 CG ASP A 31 9.108 6.939 -6.993 1.00 0.00 C ATOM 526 OD1 ASP A 31 9.099 5.727 -7.294 1.00 0.00 O ATOM 527 OD2 ASP A 31 9.290 7.852 -7.826 1.00 0.00 O ATOM 0 H ASP A 31 7.792 8.856 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 31 6.799 7.214 -6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.262 8.333 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.465 6.658 -4.901 1.00 0.00 H new ATOM 532 N THR A 32 7.525 4.850 -4.871 1.00 0.00 N ATOM 533 CA THR A 32 7.331 3.575 -4.189 1.00 0.00 C ATOM 534 C THR A 32 8.055 3.562 -2.846 1.00 0.00 C ATOM 535 O THR A 32 7.439 3.354 -1.800 1.00 0.00 O ATOM 536 CB THR A 32 7.830 2.423 -5.062 1.00 0.00 C ATOM 537 OG1 THR A 32 9.162 2.655 -5.485 1.00 0.00 O ATOM 538 CG2 THR A 32 6.988 2.201 -6.299 1.00 0.00 C ATOM 0 H THR A 32 7.967 4.775 -5.787 1.00 0.00 H new ATOM 0 HA THR A 32 6.264 3.447 -4.008 1.00 0.00 H new ATOM 0 HB THR A 32 7.764 1.535 -4.433 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.464 1.906 -6.041 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.397 1.370 -6.873 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.964 1.970 -6.005 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.995 3.103 -6.911 1.00 0.00 H new ATOM 546 N GLY A 33 9.364 3.788 -2.883 1.00 0.00 N ATOM 547 CA GLY A 33 10.148 3.801 -1.662 1.00 0.00 C ATOM 548 C GLY A 33 9.688 4.869 -0.691 1.00 0.00 C ATOM 549 O GLY A 33 9.761 4.688 0.524 1.00 0.00 O ATOM 0 H GLY A 33 9.896 3.962 -3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.083 2.825 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.197 3.966 -1.909 1.00 0.00 H new ATOM 553 N ILE A 34 9.212 5.988 -1.229 1.00 0.00 N ATOM 554 CA ILE A 34 8.737 7.092 -0.405 1.00 0.00 C ATOM 555 C ILE A 34 7.383 6.767 0.217 1.00 0.00 C ATOM 556 O ILE A 34 7.160 7.003 1.404 1.00 0.00 O ATOM 557 CB ILE A 34 8.615 8.392 -1.224 1.00 0.00 C ATOM 558 CG1 ILE A 34 9.912 8.661 -1.989 1.00 0.00 C ATOM 559 CG2 ILE A 34 8.276 9.564 -0.316 1.00 0.00 C ATOM 560 CD1 ILE A 34 9.859 9.903 -2.851 1.00 0.00 C ATOM 0 H ILE A 34 9.145 6.153 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 34 9.473 7.238 0.386 1.00 0.00 H new ATOM 0 HB ILE A 34 7.806 8.274 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.731 8.758 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 34 10.138 7.801 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.194 10.473 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.328 9.372 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.063 9.687 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.812 10.031 -3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.062 9.801 -3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.665 10.773 -2.224 1.00 0.00 H new ATOM 572 N LEU A 35 6.482 6.223 -0.595 1.00 0.00 N ATOM 573 CA LEU A 35 5.149 5.863 -0.125 1.00 0.00 C ATOM 574 C LEU A 35 5.228 4.822 0.987 1.00 0.00 C ATOM 575 O LEU A 35 4.465 4.870 1.951 1.00 0.00 O ATOM 576 CB LEU A 35 4.304 5.326 -1.282 1.00 0.00 C ATOM 577 CG LEU A 35 2.793 5.494 -1.114 1.00 0.00 C ATOM 578 CD1 LEU A 35 2.052 4.861 -2.282 1.00 0.00 C ATOM 579 CD2 LEU A 35 2.334 4.888 0.203 1.00 0.00 C ATOM 0 H LEU A 35 6.651 6.022 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 35 4.677 6.761 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.610 5.829 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.524 4.266 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 35 2.564 6.560 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.978 4.990 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.360 5.341 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.286 3.797 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.257 5.016 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.576 3.825 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.840 5.387 1.029 1.00 0.00 H new ATOM 591 N ALA A 36 6.157 3.882 0.845 1.00 0.00 N ATOM 592 CA ALA A 36 6.337 2.829 1.838 1.00 0.00 C ATOM 593 C ALA A 36 6.667 3.415 3.206 1.00 0.00 C ATOM 594 O ALA A 36 6.109 3.001 4.221 1.00 0.00 O ATOM 595 CB ALA A 36 7.430 1.869 1.395 1.00 0.00 C ATOM 0 H ALA A 36 6.797 3.828 0.052 1.00 0.00 H new ATOM 0 HA ALA A 36 5.399 2.280 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.554 1.088 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.153 1.417 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.367 2.413 1.279 1.00 0.00 H new ATOM 601 N SER A 37 7.578 4.384 3.225 1.00 0.00 N ATOM 602 CA SER A 37 7.982 5.027 4.469 1.00 0.00 C ATOM 603 C SER A 37 6.811 5.775 5.098 1.00 0.00 C ATOM 604 O SER A 37 6.633 5.758 6.316 1.00 0.00 O ATOM 605 CB SER A 37 9.140 5.993 4.214 1.00 0.00 C ATOM 606 OG SER A 37 10.075 5.440 3.304 1.00 0.00 O ATOM 0 H SER A 37 8.049 4.740 2.393 1.00 0.00 H new ATOM 0 HA SER A 37 8.310 4.252 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.754 6.932 3.818 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.638 6.225 5.155 1.00 0.00 H new ATOM 0 HG SER A 37 10.804 6.078 3.157 1.00 0.00 H new ATOM 612 N ASP A 38 6.014 6.430 4.259 1.00 0.00 N ATOM 613 CA ASP A 38 4.859 7.183 4.732 1.00 0.00 C ATOM 614 C ASP A 38 3.759 6.244 5.215 1.00 0.00 C ATOM 615 O ASP A 38 3.205 6.425 6.300 1.00 0.00 O ATOM 616 CB ASP A 38 4.324 8.087 3.621 1.00 0.00 C ATOM 617 CG ASP A 38 3.190 8.976 4.094 1.00 0.00 C ATOM 618 OD1 ASP A 38 3.477 10.031 4.698 1.00 0.00 O ATOM 619 OD2 ASP A 38 2.018 8.618 3.859 1.00 0.00 O ATOM 0 H ASP A 38 6.148 6.454 3.248 1.00 0.00 H new ATOM 0 HA ASP A 38 5.178 7.801 5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.135 8.708 3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.977 7.471 2.791 1.00 0.00 H new ATOM 624 N LEU A 39 3.447 5.239 4.403 1.00 0.00 N ATOM 625 CA LEU A 39 2.414 4.271 4.749 1.00 0.00 C ATOM 626 C LEU A 39 2.770 3.530 6.032 1.00 0.00 C ATOM 627 O LEU A 39 1.912 3.289 6.881 1.00 0.00 O ATOM 628 CB LEU A 39 2.219 3.272 3.606 1.00 0.00 C ATOM 629 CG LEU A 39 0.788 2.760 3.430 1.00 0.00 C ATOM 630 CD1 LEU A 39 -0.143 3.897 3.038 1.00 0.00 C ATOM 631 CD2 LEU A 39 0.746 1.651 2.390 1.00 0.00 C ATOM 0 H LEU A 39 3.895 5.074 3.501 1.00 0.00 H new ATOM 0 HA LEU A 39 1.483 4.814 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.538 3.741 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.876 2.419 3.774 1.00 0.00 H new ATOM 0 HG LEU A 39 0.447 2.353 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.156 3.513 2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.134 4.659 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.193 4.335 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.279 1.297 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.106 2.034 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.381 0.826 2.712 1.00 0.00 H new ATOM 643 N GLN A 40 4.044 3.172 6.168 1.00 0.00 N ATOM 644 CA GLN A 40 4.515 2.459 7.349 1.00 0.00 C ATOM 645 C GLN A 40 4.601 3.394 8.552 1.00 0.00 C ATOM 646 O GLN A 40 4.401 2.973 9.692 1.00 0.00 O ATOM 647 CB GLN A 40 5.884 1.831 7.078 1.00 0.00 C ATOM 648 CG GLN A 40 6.100 0.510 7.798 1.00 0.00 C ATOM 649 CD GLN A 40 7.540 0.042 7.736 1.00 0.00 C ATOM 650 OE1 GLN A 40 8.117 -0.363 8.746 1.00 0.00 O ATOM 651 NE2 GLN A 40 8.130 0.094 6.547 1.00 0.00 N ATOM 0 H GLN A 40 4.767 3.364 5.475 1.00 0.00 H new ATOM 0 HA GLN A 40 3.798 1.670 7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.996 1.673 6.005 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.662 2.532 7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.801 0.615 8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.455 -0.250 7.357 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.614 0.437 5.736 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.099 -0.209 6.445 1.00 0.00 H new ATOM 660 N ARG A 41 4.900 4.662 8.292 1.00 0.00 N ATOM 661 CA ARG A 41 5.013 5.654 9.355 1.00 0.00 C ATOM 662 C ARG A 41 3.671 5.860 10.051 1.00 0.00 C ATOM 663 O ARG A 41 3.591 5.853 11.279 1.00 0.00 O ATOM 664 CB ARG A 41 5.515 6.984 8.788 1.00 0.00 C ATOM 665 CG ARG A 41 5.683 8.069 9.839 1.00 0.00 C ATOM 666 CD ARG A 41 6.313 9.321 9.253 1.00 0.00 C ATOM 667 NE ARG A 41 6.937 10.152 10.279 1.00 0.00 N ATOM 668 CZ ARG A 41 6.262 10.976 11.078 1.00 0.00 C ATOM 669 NH1 ARG A 41 4.942 11.079 10.974 1.00 0.00 N ATOM 670 NH2 ARG A 41 6.908 11.697 11.984 1.00 0.00 N ATOM 0 H ARG A 41 5.068 5.027 7.355 1.00 0.00 H new ATOM 0 HA ARG A 41 5.730 5.285 10.088 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.471 6.820 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.816 7.332 8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.711 8.316 10.267 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.304 7.695 10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.061 9.038 8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.551 9.900 8.732 1.00 0.00 H new ATOM 0 HE ARG A 41 7.949 10.098 10.390 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.440 10.525 10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.430 11.712 11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.922 11.620 12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.391 12.328 12.596 1.00 0.00 H new ATOM 684 N LEU A 42 2.621 6.042 9.259 1.00 0.00 N ATOM 685 CA LEU A 42 1.283 6.249 9.800 1.00 0.00 C ATOM 686 C LEU A 42 0.707 4.944 10.344 1.00 0.00 C ATOM 687 O LEU A 42 -0.046 4.945 11.318 1.00 0.00 O ATOM 688 CB LEU A 42 0.354 6.828 8.730 1.00 0.00 C ATOM 689 CG LEU A 42 0.384 6.109 7.377 1.00 0.00 C ATOM 690 CD1 LEU A 42 -0.875 5.278 7.182 1.00 0.00 C ATOM 691 CD2 LEU A 42 0.543 7.111 6.243 1.00 0.00 C ATOM 0 H LEU A 42 2.670 6.050 8.240 1.00 0.00 H new ATOM 0 HA LEU A 42 1.360 6.961 10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.667 6.809 9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.616 7.874 8.573 1.00 0.00 H new ATOM 0 HG LEU A 42 1.242 5.437 7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.833 4.776 6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.946 4.533 7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.749 5.928 7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.562 6.582 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.294 7.809 6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.475 7.661 6.372 1.00 0.00 H new ATOM 703 N TYR A 43 1.068 3.833 9.710 1.00 0.00 N ATOM 704 CA TYR A 43 0.591 2.521 10.135 1.00 0.00 C ATOM 705 C TYR A 43 1.756 1.627 10.549 1.00 0.00 C ATOM 706 O TYR A 43 1.863 0.483 10.108 1.00 0.00 O ATOM 707 CB TYR A 43 -0.203 1.855 9.009 1.00 0.00 C ATOM 708 CG TYR A 43 -1.635 2.328 8.912 1.00 0.00 C ATOM 709 CD1 TYR A 43 -2.420 2.463 10.050 1.00 0.00 C ATOM 710 CD2 TYR A 43 -2.202 2.638 7.683 1.00 0.00 C ATOM 711 CE1 TYR A 43 -3.731 2.894 9.966 1.00 0.00 C ATOM 712 CE2 TYR A 43 -3.512 3.069 7.591 1.00 0.00 C ATOM 713 CZ TYR A 43 -4.272 3.195 8.734 1.00 0.00 C ATOM 714 OH TYR A 43 -5.576 3.625 8.645 1.00 0.00 O ATOM 0 H TYR A 43 1.689 3.815 8.901 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.061 2.660 10.997 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.299 2.047 8.060 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.196 0.776 9.161 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.999 2.227 11.016 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.610 2.541 6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.328 2.994 10.860 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.938 3.306 6.627 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.671 4.223 7.875 1.00 0.00 H new ATOM 724 N SER A 44 2.628 2.157 11.400 1.00 0.00 N ATOM 725 CA SER A 44 3.787 1.409 11.874 1.00 0.00 C ATOM 726 C SER A 44 3.356 0.214 12.719 1.00 0.00 C ATOM 727 O SER A 44 3.801 -0.910 12.494 1.00 0.00 O ATOM 728 CB SER A 44 4.709 2.317 12.688 1.00 0.00 C ATOM 729 OG SER A 44 6.071 2.010 12.446 1.00 0.00 O ATOM 0 H SER A 44 2.554 3.102 11.776 1.00 0.00 H new ATOM 0 HA SER A 44 4.329 1.039 11.004 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.517 3.359 12.432 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.491 2.204 13.750 1.00 0.00 H new ATOM 0 HG SER A 44 6.640 2.606 12.977 1.00 0.00 H new ATOM 735 N VAL A 45 2.485 0.467 13.691 1.00 0.00 N ATOM 736 CA VAL A 45 1.994 -0.588 14.570 1.00 0.00 C ATOM 737 C VAL A 45 1.135 -1.588 13.803 1.00 0.00 C ATOM 738 O VAL A 45 1.092 -2.771 14.141 1.00 0.00 O ATOM 739 CB VAL A 45 1.170 -0.010 15.737 1.00 0.00 C ATOM 740 CG1 VAL A 45 2.075 0.704 16.728 1.00 0.00 C ATOM 741 CG2 VAL A 45 0.093 0.928 15.214 1.00 0.00 C ATOM 0 H VAL A 45 2.105 1.393 13.890 1.00 0.00 H new ATOM 0 HA VAL A 45 2.870 -1.098 14.971 1.00 0.00 H new ATOM 0 HB VAL A 45 0.681 -0.834 16.257 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.475 1.105 17.545 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.806 -0.000 17.126 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.594 1.519 16.224 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.480 1.327 16.051 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.559 1.749 14.669 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.573 0.381 14.547 1.00 0.00 H new ATOM 751 N ASP A 46 0.451 -1.104 12.772 1.00 0.00 N ATOM 752 CA ASP A 46 -0.409 -1.955 11.958 1.00 0.00 C ATOM 753 C ASP A 46 0.401 -2.709 10.908 1.00 0.00 C ATOM 754 O ASP A 46 0.045 -3.819 10.514 1.00 0.00 O ATOM 755 CB ASP A 46 -1.493 -1.118 11.278 1.00 0.00 C ATOM 756 CG ASP A 46 -2.647 -0.799 12.209 1.00 0.00 C ATOM 757 OD1 ASP A 46 -2.403 -0.650 13.425 1.00 0.00 O ATOM 758 OD2 ASP A 46 -3.793 -0.700 11.723 1.00 0.00 O ATOM 0 H ASP A 46 0.475 -0.127 12.480 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.881 -2.684 12.616 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.056 -0.188 10.914 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.870 -1.655 10.407 1.00 0.00 H new ATOM 763 N TYR A 47 1.493 -2.097 10.457 1.00 0.00 N ATOM 764 CA TYR A 47 2.352 -2.713 9.452 1.00 0.00 C ATOM 765 C TYR A 47 3.723 -3.044 10.031 1.00 0.00 C ATOM 766 O TYR A 47 4.034 -4.207 10.292 1.00 0.00 O ATOM 767 CB TYR A 47 2.506 -1.784 8.245 1.00 0.00 C ATOM 768 CG TYR A 47 1.220 -1.565 7.481 1.00 0.00 C ATOM 769 CD1 TYR A 47 0.403 -2.634 7.136 1.00 0.00 C ATOM 770 CD2 TYR A 47 0.822 -0.287 7.105 1.00 0.00 C ATOM 771 CE1 TYR A 47 -0.773 -2.438 6.437 1.00 0.00 C ATOM 772 CE2 TYR A 47 -0.352 -0.083 6.406 1.00 0.00 C ATOM 773 CZ TYR A 47 -1.145 -1.160 6.075 1.00 0.00 C ATOM 774 OH TYR A 47 -2.316 -0.961 5.378 1.00 0.00 O ATOM 0 H TYR A 47 1.803 -1.177 10.771 1.00 0.00 H new ATOM 0 HA TYR A 47 1.882 -3.642 9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.885 -0.820 8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.253 -2.200 7.570 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.692 -3.636 7.419 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.441 0.560 7.364 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.397 -3.280 6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.647 0.916 6.120 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.433 -0.004 5.201 1.00 0.00 H new ATOM 784 N GLY A 48 4.541 -2.015 10.230 1.00 0.00 N ATOM 785 CA GLY A 48 5.870 -2.216 10.775 1.00 0.00 C ATOM 786 C GLY A 48 5.848 -2.906 12.126 1.00 0.00 C ATOM 787 O GLY A 48 5.784 -2.248 13.165 1.00 0.00 O ATOM 0 H GLY A 48 4.306 -1.044 10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.459 -2.811 10.077 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.369 -1.252 10.872 1.00 0.00 H new ATOM 791 N ARG A 49 5.901 -4.234 12.113 1.00 0.00 N ATOM 792 CA ARG A 49 5.885 -5.011 13.346 1.00 0.00 C ATOM 793 C ARG A 49 6.280 -6.461 13.083 1.00 0.00 C ATOM 794 O ARG A 49 7.057 -7.049 13.836 1.00 0.00 O ATOM 795 CB ARG A 49 4.499 -4.958 13.990 1.00 0.00 C ATOM 796 CG ARG A 49 4.330 -3.813 14.977 1.00 0.00 C ATOM 797 CD ARG A 49 3.370 -4.182 16.097 1.00 0.00 C ATOM 798 NE ARG A 49 3.325 -3.159 17.139 1.00 0.00 N ATOM 799 CZ ARG A 49 2.711 -3.318 18.308 1.00 0.00 C ATOM 800 NH1 ARG A 49 2.088 -4.456 18.590 1.00 0.00 N ATOM 801 NH2 ARG A 49 2.719 -2.337 19.200 1.00 0.00 N ATOM 0 H ARG A 49 5.955 -4.794 11.262 1.00 0.00 H new ATOM 0 HA ARG A 49 6.613 -4.573 14.029 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.747 -4.865 13.207 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.310 -5.901 14.504 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.300 -3.549 15.399 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.959 -2.932 14.454 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.371 -4.325 15.686 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.673 -5.133 16.535 1.00 0.00 H new ATOM 0 HE ARG A 49 3.792 -2.270 16.959 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.078 -5.215 17.908 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.619 -4.572 19.488 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.196 -1.460 18.990 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.248 -2.459 20.097 1.00 0.00 H new ATOM 815 N ARG A 50 5.739 -7.033 12.013 1.00 0.00 N ATOM 816 CA ARG A 50 6.034 -8.415 11.654 1.00 0.00 C ATOM 817 C ARG A 50 7.040 -8.482 10.509 1.00 0.00 C ATOM 818 O ARG A 50 8.164 -8.954 10.685 1.00 0.00 O ATOM 819 CB ARG A 50 4.749 -9.147 11.263 1.00 0.00 C ATOM 820 CG ARG A 50 3.949 -9.651 12.454 1.00 0.00 C ATOM 821 CD ARG A 50 3.090 -8.550 13.056 1.00 0.00 C ATOM 822 NE ARG A 50 1.670 -8.749 12.776 1.00 0.00 N ATOM 823 CZ ARG A 50 0.692 -8.112 13.416 1.00 0.00 C ATOM 824 NH1 ARG A 50 0.975 -7.235 14.371 1.00 0.00 N ATOM 825 NH2 ARG A 50 -0.574 -8.353 13.100 1.00 0.00 N ATOM 0 H ARG A 50 5.094 -6.561 11.379 1.00 0.00 H new ATOM 0 HA ARG A 50 6.473 -8.902 12.525 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.124 -8.476 10.674 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.002 -9.992 10.623 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.314 -10.480 12.142 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.629 -10.039 13.212 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.246 -8.517 14.134 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.406 -7.585 12.659 1.00 0.00 H new ATOM 0 HE ARG A 50 1.413 -9.415 12.047 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.946 -7.046 14.618 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.221 -6.750 14.858 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.797 -9.026 12.367 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.324 -7.865 13.590 1.00 0.00 H new ATOM 839 N LYS A 51 6.630 -8.008 9.337 1.00 0.00 N ATOM 840 CA LYS A 51 7.497 -8.018 8.163 1.00 0.00 C ATOM 841 C LYS A 51 7.681 -6.609 7.607 1.00 0.00 C ATOM 842 O LYS A 51 6.859 -6.125 6.829 1.00 0.00 O ATOM 843 CB LYS A 51 6.918 -8.933 7.083 1.00 0.00 C ATOM 844 CG LYS A 51 5.424 -8.755 6.869 1.00 0.00 C ATOM 845 CD LYS A 51 4.853 -9.852 5.985 1.00 0.00 C ATOM 846 CE LYS A 51 3.439 -9.524 5.533 1.00 0.00 C ATOM 847 NZ LYS A 51 2.458 -9.641 6.646 1.00 0.00 N ATOM 0 H LYS A 51 5.704 -7.612 9.174 1.00 0.00 H new ATOM 0 HA LYS A 51 8.472 -8.398 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.436 -8.744 6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.116 -9.970 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.914 -8.760 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.234 -7.783 6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.493 -9.988 5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.852 -10.796 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.412 -8.511 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.152 -10.196 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.507 -9.409 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.464 -10.614 7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.717 -8.982 7.408 1.00 0.00 H new ATOM 861 N ARG A 52 8.765 -5.956 8.014 1.00 0.00 N ATOM 862 CA ARG A 52 9.060 -4.603 7.558 1.00 0.00 C ATOM 863 C ARG A 52 9.383 -4.587 6.066 1.00 0.00 C ATOM 864 O ARG A 52 8.801 -3.815 5.303 1.00 0.00 O ATOM 865 CB ARG A 52 10.230 -4.019 8.353 1.00 0.00 C ATOM 866 CG ARG A 52 9.947 -2.643 8.932 1.00 0.00 C ATOM 867 CD ARG A 52 10.811 -2.362 10.150 1.00 0.00 C ATOM 868 NE ARG A 52 11.053 -0.933 10.332 1.00 0.00 N ATOM 869 CZ ARG A 52 12.037 -0.437 11.079 1.00 0.00 C ATOM 870 NH1 ARG A 52 12.872 -1.250 11.715 1.00 0.00 N ATOM 871 NH2 ARG A 52 12.188 0.877 11.190 1.00 0.00 N ATOM 0 H ARG A 52 9.454 -6.343 8.659 1.00 0.00 H new ATOM 0 HA ARG A 52 8.174 -3.990 7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.482 -4.701 9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.104 -3.958 7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.129 -1.883 8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.895 -2.572 9.207 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.325 -2.763 11.039 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.764 -2.881 10.046 1.00 0.00 H new ATOM 0 HE ARG A 52 10.432 -0.277 9.859 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.762 -2.261 11.633 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.624 -0.864 12.286 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.550 1.507 10.703 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.942 1.257 11.762 1.00 0.00 H new ATOM 885 N ASN A 53 10.317 -5.441 5.657 1.00 0.00 N ATOM 886 CA ASN A 53 10.720 -5.524 4.257 1.00 0.00 C ATOM 887 C ASN A 53 9.528 -5.850 3.360 1.00 0.00 C ATOM 888 O ASN A 53 9.371 -5.269 2.285 1.00 0.00 O ATOM 889 CB ASN A 53 11.810 -6.583 4.081 1.00 0.00 C ATOM 890 CG ASN A 53 11.336 -7.970 4.471 1.00 0.00 C ATOM 891 OD1 ASN A 53 10.429 -8.122 5.289 1.00 0.00 O ATOM 892 ND2 ASN A 53 11.949 -8.991 3.883 1.00 0.00 N ATOM 0 H ASN A 53 10.809 -6.086 6.276 1.00 0.00 H new ATOM 0 HA ASN A 53 11.114 -4.551 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.139 -6.593 3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.675 -6.314 4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.672 -9.948 4.104 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.696 -8.818 3.211 1.00 0.00 H new ATOM 899 N ALA A 54 8.693 -6.782 3.809 1.00 0.00 N ATOM 900 CA ALA A 54 7.516 -7.184 3.046 1.00 0.00 C ATOM 901 C ALA A 54 6.641 -5.980 2.710 1.00 0.00 C ATOM 902 O ALA A 54 6.032 -5.922 1.643 1.00 0.00 O ATOM 903 CB ALA A 54 6.715 -8.221 3.819 1.00 0.00 C ATOM 0 H ALA A 54 8.809 -7.272 4.696 1.00 0.00 H new ATOM 0 HA ALA A 54 7.855 -7.626 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.840 -8.512 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.336 -9.098 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.394 -7.798 4.771 1.00 0.00 H new ATOM 909 N PHE A 55 6.589 -5.021 3.627 1.00 0.00 N ATOM 910 CA PHE A 55 5.793 -3.817 3.426 1.00 0.00 C ATOM 911 C PHE A 55 6.320 -3.012 2.243 1.00 0.00 C ATOM 912 O PHE A 55 5.547 -2.514 1.425 1.00 0.00 O ATOM 913 CB PHE A 55 5.804 -2.954 4.690 1.00 0.00 C ATOM 914 CG PHE A 55 4.750 -1.885 4.695 1.00 0.00 C ATOM 915 CD1 PHE A 55 3.407 -2.218 4.759 1.00 0.00 C ATOM 916 CD2 PHE A 55 5.102 -0.546 4.635 1.00 0.00 C ATOM 917 CE1 PHE A 55 2.434 -1.237 4.762 1.00 0.00 C ATOM 918 CE2 PHE A 55 4.134 0.440 4.638 1.00 0.00 C ATOM 919 CZ PHE A 55 2.798 0.093 4.702 1.00 0.00 C ATOM 0 H PHE A 55 7.088 -5.054 4.516 1.00 0.00 H new ATOM 0 HA PHE A 55 4.768 -4.120 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.663 -3.596 5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.784 -2.488 4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.117 -3.257 4.807 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.145 -0.270 4.585 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.390 -1.510 4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.421 1.480 4.590 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.039 0.862 4.705 1.00 0.00 H new ATOM 929 N ARG A 56 7.641 -2.893 2.158 1.00 0.00 N ATOM 930 CA ARG A 56 8.272 -2.151 1.073 1.00 0.00 C ATOM 931 C ARG A 56 7.941 -2.781 -0.276 1.00 0.00 C ATOM 932 O ARG A 56 7.585 -2.084 -1.227 1.00 0.00 O ATOM 933 CB ARG A 56 9.789 -2.108 1.271 1.00 0.00 C ATOM 934 CG ARG A 56 10.236 -1.098 2.315 1.00 0.00 C ATOM 935 CD ARG A 56 10.735 0.186 1.672 1.00 0.00 C ATOM 936 NE ARG A 56 11.778 0.829 2.469 1.00 0.00 N ATOM 937 CZ ARG A 56 12.556 1.811 2.018 1.00 0.00 C ATOM 938 NH1 ARG A 56 12.416 2.264 0.780 1.00 0.00 N ATOM 939 NH2 ARG A 56 13.479 2.339 2.810 1.00 0.00 N ATOM 0 H ARG A 56 8.295 -3.300 2.827 1.00 0.00 H new ATOM 0 HA ARG A 56 7.883 -1.133 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.138 -3.099 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.265 -1.870 0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.405 -0.872 2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.028 -1.531 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.123 -0.034 0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.900 0.875 1.544 1.00 0.00 H new ATOM 0 HE ARG A 56 11.918 0.507 3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.709 1.860 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.016 3.017 0.441 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.592 1.993 3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.076 3.091 2.466 1.00 0.00 H new ATOM 953 N ILE A 57 8.058 -4.103 -0.352 1.00 0.00 N ATOM 954 CA ILE A 57 7.767 -4.825 -1.584 1.00 0.00 C ATOM 955 C ILE A 57 6.297 -4.684 -1.965 1.00 0.00 C ATOM 956 O ILE A 57 5.966 -4.459 -3.129 1.00 0.00 O ATOM 957 CB ILE A 57 8.116 -6.321 -1.460 1.00 0.00 C ATOM 958 CG1 ILE A 57 9.542 -6.497 -0.934 1.00 0.00 C ATOM 959 CG2 ILE A 57 7.952 -7.019 -2.803 1.00 0.00 C ATOM 960 CD1 ILE A 57 9.684 -7.626 0.063 1.00 0.00 C ATOM 0 H ILE A 57 8.352 -4.695 0.425 1.00 0.00 H new ATOM 0 HA ILE A 57 8.387 -4.383 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 57 7.428 -6.778 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.211 -6.680 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.865 -5.567 -0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.202 -8.075 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.920 -6.923 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.616 -6.560 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.721 -7.692 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.041 -7.435 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.392 -8.565 -0.407 1.00 0.00 H new ATOM 972 N GLN A 58 5.420 -4.818 -0.975 1.00 0.00 N ATOM 973 CA GLN A 58 3.984 -4.705 -1.208 1.00 0.00 C ATOM 974 C GLN A 58 3.634 -3.329 -1.765 1.00 0.00 C ATOM 975 O GLN A 58 2.875 -3.212 -2.726 1.00 0.00 O ATOM 976 CB GLN A 58 3.215 -4.956 0.091 1.00 0.00 C ATOM 977 CG GLN A 58 2.630 -6.355 0.189 1.00 0.00 C ATOM 978 CD GLN A 58 1.630 -6.647 -0.913 1.00 0.00 C ATOM 979 OE1 GLN A 58 0.735 -5.847 -1.184 1.00 0.00 O ATOM 980 NE2 GLN A 58 1.777 -7.801 -1.555 1.00 0.00 N ATOM 0 H GLN A 58 5.678 -5.005 -0.006 1.00 0.00 H new ATOM 0 HA GLN A 58 3.697 -5.458 -1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.882 -4.790 0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.409 -4.227 0.173 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.437 -7.086 0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.144 -6.475 1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.533 -8.435 -1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.133 -8.053 -2.305 1.00 0.00 H new ATOM 989 N VAL A 59 4.193 -2.289 -1.153 1.00 0.00 N ATOM 990 CA VAL A 59 3.940 -0.921 -1.589 1.00 0.00 C ATOM 991 C VAL A 59 4.495 -0.682 -2.989 1.00 0.00 C ATOM 992 O VAL A 59 3.943 0.102 -3.761 1.00 0.00 O ATOM 993 CB VAL A 59 4.562 0.102 -0.618 1.00 0.00 C ATOM 994 CG1 VAL A 59 4.141 1.515 -0.992 1.00 0.00 C ATOM 995 CG2 VAL A 59 4.174 -0.215 0.818 1.00 0.00 C ATOM 0 H VAL A 59 4.823 -2.368 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 59 2.859 -0.785 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 59 5.647 0.036 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.589 2.224 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.477 1.739 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.055 1.596 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.623 0.519 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.089 -0.181 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.531 -1.211 1.080 1.00 0.00 H new ATOM 1005 N GLU A 60 5.589 -1.365 -3.310 1.00 0.00 N ATOM 1006 CA GLU A 60 6.220 -1.229 -4.618 1.00 0.00 C ATOM 1007 C GLU A 60 5.301 -1.752 -5.719 1.00 0.00 C ATOM 1008 O GLU A 60 5.080 -1.082 -6.728 1.00 0.00 O ATOM 1009 CB GLU A 60 7.550 -1.983 -4.649 1.00 0.00 C ATOM 1010 CG GLU A 60 8.716 -1.182 -4.092 1.00 0.00 C ATOM 1011 CD GLU A 60 10.044 -1.894 -4.257 1.00 0.00 C ATOM 1012 OE1 GLU A 60 10.515 -2.010 -5.409 1.00 0.00 O ATOM 1013 OE2 GLU A 60 10.614 -2.335 -3.237 1.00 0.00 O ATOM 0 H GLU A 60 6.057 -2.018 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 60 6.408 -0.170 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.448 -2.906 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.773 -2.267 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.761 -0.216 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.543 -0.984 -3.034 1.00 0.00 H new ATOM 1020 N LYS A 61 4.768 -2.952 -5.515 1.00 0.00 N ATOM 1021 CA LYS A 61 3.872 -3.565 -6.489 1.00 0.00 C ATOM 1022 C LYS A 61 2.497 -2.906 -6.449 1.00 0.00 C ATOM 1023 O LYS A 61 1.864 -2.700 -7.485 1.00 0.00 O ATOM 1024 CB LYS A 61 3.742 -5.065 -6.220 1.00 0.00 C ATOM 1025 CG LYS A 61 4.705 -5.914 -7.035 1.00 0.00 C ATOM 1026 CD LYS A 61 6.144 -5.702 -6.593 1.00 0.00 C ATOM 1027 CE LYS A 61 6.953 -6.985 -6.696 1.00 0.00 C ATOM 1028 NZ LYS A 61 6.471 -8.025 -5.745 1.00 0.00 N ATOM 0 H LYS A 61 4.941 -3.519 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 61 4.297 -3.418 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.913 -5.252 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.721 -5.378 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.442 -6.967 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.607 -5.665 -8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.605 -4.930 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.161 -5.342 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.895 -7.370 -7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.003 -6.769 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.284 -8.546 -5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.951 -7.570 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.841 -8.686 -6.243 1.00 0.00 H new ATOM 1042 N VAL A 62 2.041 -2.577 -5.245 1.00 0.00 N ATOM 1043 CA VAL A 62 0.743 -1.938 -5.068 1.00 0.00 C ATOM 1044 C VAL A 62 0.723 -0.556 -5.716 1.00 0.00 C ATOM 1045 O VAL A 62 -0.314 -0.098 -6.191 1.00 0.00 O ATOM 1046 CB VAL A 62 0.374 -1.823 -3.570 1.00 0.00 C ATOM 1047 CG1 VAL A 62 -0.684 -0.751 -3.339 1.00 0.00 C ATOM 1048 CG2 VAL A 62 -0.105 -3.166 -3.043 1.00 0.00 C ATOM 0 H VAL A 62 2.551 -2.743 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 62 0.000 -2.567 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 62 1.270 -1.528 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.920 -0.696 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.305 0.213 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.585 -1.002 -3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.362 -3.072 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.984 -3.484 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.687 -3.906 -3.159 1.00 0.00 H new ATOM 1058 N PHE A 63 1.873 0.107 -5.728 1.00 0.00 N ATOM 1059 CA PHE A 63 1.978 1.436 -6.315 1.00 0.00 C ATOM 1060 C PHE A 63 1.835 1.374 -7.834 1.00 0.00 C ATOM 1061 O PHE A 63 1.238 2.259 -8.448 1.00 0.00 O ATOM 1062 CB PHE A 63 3.315 2.077 -5.941 1.00 0.00 C ATOM 1063 CG PHE A 63 3.466 3.487 -6.439 1.00 0.00 C ATOM 1064 CD1 PHE A 63 3.899 3.736 -7.731 1.00 0.00 C ATOM 1065 CD2 PHE A 63 3.178 4.562 -5.613 1.00 0.00 C ATOM 1066 CE1 PHE A 63 4.040 5.031 -8.192 1.00 0.00 C ATOM 1067 CE2 PHE A 63 3.317 5.859 -6.069 1.00 0.00 C ATOM 1068 CZ PHE A 63 3.749 6.094 -7.360 1.00 0.00 C ATOM 0 H PHE A 63 2.744 -0.253 -5.339 1.00 0.00 H new ATOM 0 HA PHE A 63 1.167 2.047 -5.918 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.421 2.070 -4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.125 1.469 -6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.129 2.908 -8.386 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.841 4.384 -4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.377 5.212 -9.202 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.088 6.689 -5.416 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.859 7.107 -7.718 1.00 0.00 H new ATOM 1078 N SER A 64 2.387 0.325 -8.435 1.00 0.00 N ATOM 1079 CA SER A 64 2.322 0.149 -9.881 1.00 0.00 C ATOM 1080 C SER A 64 0.931 -0.297 -10.322 1.00 0.00 C ATOM 1081 O SER A 64 0.459 0.078 -11.396 1.00 0.00 O ATOM 1082 CB SER A 64 3.364 -0.875 -10.337 1.00 0.00 C ATOM 1083 OG SER A 64 4.575 -0.239 -10.709 1.00 0.00 O ATOM 0 H SER A 64 2.885 -0.417 -7.942 1.00 0.00 H new ATOM 0 HA SER A 64 2.535 1.112 -10.345 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.555 -1.587 -9.534 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.974 -1.444 -11.181 1.00 0.00 H new ATOM 0 HG SER A 64 5.225 -0.915 -10.995 1.00 0.00 H new ATOM 1089 N ILE A 65 0.288 -1.112 -9.494 1.00 0.00 N ATOM 1090 CA ILE A 65 -1.041 -1.626 -9.802 1.00 0.00 C ATOM 1091 C ILE A 65 -2.125 -0.569 -9.591 1.00 0.00 C ATOM 1092 O ILE A 65 -3.019 -0.419 -10.420 1.00 0.00 O ATOM 1093 CB ILE A 65 -1.362 -2.878 -8.956 1.00 0.00 C ATOM 1094 CG1 ILE A 65 -2.549 -3.635 -9.553 1.00 0.00 C ATOM 1095 CG2 ILE A 65 -1.638 -2.499 -7.508 1.00 0.00 C ATOM 1096 CD1 ILE A 65 -2.909 -4.891 -8.790 1.00 0.00 C ATOM 0 H ILE A 65 0.667 -1.432 -8.602 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.035 -1.901 -10.857 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.491 -3.534 -8.971 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.415 -2.974 -9.579 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.319 -3.900 -10.585 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.861 -3.398 -6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.761 -2.007 -7.087 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.490 -1.820 -7.466 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.759 -5.377 -9.269 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.057 -5.571 -8.786 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.171 -4.631 -7.764 1.00 0.00 H new ATOM 1108 N ILE A 66 -2.045 0.160 -8.482 1.00 0.00 N ATOM 1109 CA ILE A 66 -3.034 1.192 -8.183 1.00 0.00 C ATOM 1110 C ILE A 66 -3.172 2.178 -9.339 1.00 0.00 C ATOM 1111 O ILE A 66 -4.261 2.683 -9.610 1.00 0.00 O ATOM 1112 CB ILE A 66 -2.674 1.972 -6.903 1.00 0.00 C ATOM 1113 CG1 ILE A 66 -1.294 2.619 -7.042 1.00 0.00 C ATOM 1114 CG2 ILE A 66 -2.720 1.054 -5.691 1.00 0.00 C ATOM 1115 CD1 ILE A 66 -0.882 3.427 -5.831 1.00 0.00 C ATOM 0 H ILE A 66 -1.312 0.057 -7.780 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.982 0.677 -8.030 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.409 2.764 -6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.552 1.840 -7.219 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.292 3.266 -7.919 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.463 1.620 -4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.723 0.642 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.006 0.241 -5.823 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.106 3.856 -5.999 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.603 4.228 -5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.852 2.780 -4.955 1.00 0.00 H new ATOM 1127 N SER A 67 -2.063 2.449 -10.017 1.00 0.00 N ATOM 1128 CA SER A 67 -2.065 3.376 -11.141 1.00 0.00 C ATOM 1129 C SER A 67 -2.695 2.743 -12.380 1.00 0.00 C ATOM 1130 O SER A 67 -3.512 3.364 -13.058 1.00 0.00 O ATOM 1131 CB SER A 67 -0.638 3.828 -11.457 1.00 0.00 C ATOM 1132 OG SER A 67 0.260 2.733 -11.435 1.00 0.00 O ATOM 0 H SER A 67 -1.152 2.040 -9.808 1.00 0.00 H new ATOM 0 HA SER A 67 -2.663 4.242 -10.859 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.613 4.304 -12.437 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.321 4.577 -10.731 1.00 0.00 H new ATOM 0 HG SER A 67 -0.244 1.895 -11.506 1.00 0.00 H new ATOM 1138 N SER A 68 -2.301 1.508 -12.677 1.00 0.00 N ATOM 1139 CA SER A 68 -2.821 0.799 -13.842 1.00 0.00 C ATOM 1140 C SER A 68 -4.256 0.327 -13.620 1.00 0.00 C ATOM 1141 O SER A 68 -5.130 0.555 -14.457 1.00 0.00 O ATOM 1142 CB SER A 68 -1.927 -0.396 -14.175 1.00 0.00 C ATOM 1143 OG SER A 68 -0.947 -0.049 -15.138 1.00 0.00 O ATOM 0 H SER A 68 -1.624 0.978 -12.128 1.00 0.00 H new ATOM 0 HA SER A 68 -2.822 1.497 -14.679 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.439 -0.753 -13.268 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.537 -1.216 -14.552 1.00 0.00 H new ATOM 0 HG SER A 68 -0.388 -0.830 -15.332 1.00 0.00 H new ATOM 1149 N GLU A 69 -4.493 -0.342 -12.496 1.00 0.00 N ATOM 1150 CA GLU A 69 -5.819 -0.855 -12.176 1.00 0.00 C ATOM 1151 C GLU A 69 -6.839 0.275 -12.055 1.00 0.00 C ATOM 1152 O GLU A 69 -7.920 0.210 -12.639 1.00 0.00 O ATOM 1153 CB GLU A 69 -5.777 -1.666 -10.878 1.00 0.00 C ATOM 1154 CG GLU A 69 -6.215 -3.111 -11.052 1.00 0.00 C ATOM 1155 CD GLU A 69 -5.254 -3.912 -11.907 1.00 0.00 C ATOM 1156 OE1 GLU A 69 -4.090 -3.484 -12.054 1.00 0.00 O ATOM 1157 OE2 GLU A 69 -5.665 -4.970 -12.431 1.00 0.00 O ATOM 0 H GLU A 69 -3.783 -0.541 -11.791 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.130 -1.505 -12.994 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.762 -1.648 -10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.418 -1.187 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.302 -3.581 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.206 -3.134 -11.506 1.00 0.00 H new ATOM 1164 N LYS A 70 -6.494 1.305 -11.289 1.00 0.00 N ATOM 1165 CA LYS A 70 -7.389 2.441 -11.091 1.00 0.00 C ATOM 1166 C LYS A 70 -7.303 3.420 -12.257 1.00 0.00 C ATOM 1167 O LYS A 70 -8.314 3.750 -12.878 1.00 0.00 O ATOM 1168 CB LYS A 70 -7.058 3.159 -9.782 1.00 0.00 C ATOM 1169 CG LYS A 70 -6.809 2.217 -8.615 1.00 0.00 C ATOM 1170 CD LYS A 70 -8.058 1.421 -8.264 1.00 0.00 C ATOM 1171 CE LYS A 70 -8.630 1.843 -6.921 1.00 0.00 C ATOM 1172 NZ LYS A 70 -10.064 1.464 -6.784 1.00 0.00 N ATOM 0 H LYS A 70 -5.604 1.377 -10.796 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.408 2.058 -11.040 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.174 3.780 -9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.879 3.829 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.998 1.532 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.485 2.790 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.810 1.561 -9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.818 0.358 -8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.054 1.380 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.527 2.922 -6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.417 1.769 -5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.618 1.926 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.160 0.432 -6.869 1.00 0.00 H new ATOM 1186 N GLU A 71 -6.092 3.884 -12.549 1.00 0.00 N ATOM 1187 CA GLU A 71 -5.876 4.828 -13.641 1.00 0.00 C ATOM 1188 C GLU A 71 -6.614 6.138 -13.381 1.00 0.00 C ATOM 1189 O GLU A 71 -7.688 6.149 -12.779 1.00 0.00 O ATOM 1190 CB GLU A 71 -6.339 4.222 -14.968 1.00 0.00 C ATOM 1191 CG GLU A 71 -5.216 3.581 -15.767 1.00 0.00 C ATOM 1192 CD GLU A 71 -5.566 3.415 -17.233 1.00 0.00 C ATOM 1193 OE1 GLU A 71 -5.963 4.416 -17.866 1.00 0.00 O ATOM 1194 OE2 GLU A 71 -5.441 2.285 -17.748 1.00 0.00 O ATOM 0 H GLU A 71 -5.245 3.622 -12.045 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.808 5.039 -13.700 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.105 3.473 -14.768 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.804 5.001 -15.571 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.317 4.192 -15.678 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.982 2.606 -15.340 1.00 0.00 H new ATOM 1201 N LEU A 72 -6.029 7.241 -13.837 1.00 0.00 N ATOM 1202 CA LEU A 72 -6.630 8.556 -13.654 1.00 0.00 C ATOM 1203 C LEU A 72 -6.126 9.536 -14.711 1.00 0.00 C ATOM 1204 O LEU A 72 -6.042 10.739 -14.468 1.00 0.00 O ATOM 1205 CB LEU A 72 -6.322 9.091 -12.252 1.00 0.00 C ATOM 1206 CG LEU A 72 -7.453 8.928 -11.236 1.00 0.00 C ATOM 1207 CD1 LEU A 72 -6.960 9.249 -9.833 1.00 0.00 C ATOM 1208 CD2 LEU A 72 -8.631 9.819 -11.606 1.00 0.00 C ATOM 0 H LEU A 72 -5.139 7.250 -14.336 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.710 8.454 -13.765 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.436 8.582 -11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.073 10.149 -12.330 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.786 7.890 -11.253 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.778 9.128 -9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.147 8.572 -9.569 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.601 10.278 -9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.428 9.692 -10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.310 10.861 -11.616 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.999 9.543 -12.594 1.00 0.00 H new ATOM 1220 N LYS A 73 -5.793 9.010 -15.887 1.00 0.00 N ATOM 1221 CA LYS A 73 -5.299 9.837 -16.981 1.00 0.00 C ATOM 1222 C LYS A 73 -6.433 10.223 -17.924 1.00 0.00 C ATOM 1223 O LYS A 73 -7.283 9.398 -18.260 1.00 0.00 O ATOM 1224 CB LYS A 73 -4.205 9.098 -17.754 1.00 0.00 C ATOM 1225 CG LYS A 73 -2.818 9.269 -17.157 1.00 0.00 C ATOM 1226 CD LYS A 73 -1.751 9.331 -18.238 1.00 0.00 C ATOM 1227 CE LYS A 73 -0.671 10.347 -17.899 1.00 0.00 C ATOM 1228 NZ LYS A 73 0.591 9.691 -17.460 1.00 0.00 N ATOM 0 H LYS A 73 -5.857 8.016 -16.105 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.879 10.748 -16.554 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.449 8.036 -17.787 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.195 9.455 -18.784 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.787 10.181 -16.561 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.606 8.440 -16.482 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.300 8.347 -18.362 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.212 9.593 -19.191 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.472 10.970 -18.771 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.030 11.008 -17.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.301 10.418 -17.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.407 9.117 -16.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.948 9.079 -18.222 1.00 0.00 H new ATOM 1242 N ASN A 74 -6.442 11.482 -18.350 1.00 0.00 N ATOM 1243 CA ASN A 74 -7.473 11.976 -19.255 1.00 0.00 C ATOM 1244 C ASN A 74 -6.985 11.953 -20.699 1.00 0.00 C ATOM 1245 O ASN A 74 -7.839 11.965 -21.611 1.00 0.00 O ATOM 1246 CB ASN A 74 -7.884 13.397 -18.865 1.00 0.00 C ATOM 1247 CG ASN A 74 -9.042 13.415 -17.887 1.00 0.00 C ATOM 1248 OD1 ASN A 74 -9.968 14.216 -18.017 1.00 0.00 O ATOM 1249 ND2 ASN A 74 -8.996 12.530 -16.898 1.00 0.00 N ATOM 1250 OXT ASN A 74 -5.754 11.925 -20.908 1.00 0.00 O ATOM 0 H ASN A 74 -5.747 12.179 -18.083 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.339 11.319 -19.173 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.030 13.911 -18.423 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.160 13.952 -19.762 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.747 12.496 -16.209 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.210 11.884 -16.828 1.00 0.00 H new TER 1257 ASN A 74