USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 LEU N :NH3+ 129:sc= 0.0345 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -136:sc= -0.154 (180deg=-2.08!) USER MOD Single : A 3 SER OG : rot -160:sc= -0.662 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.75 X(o=-1.8,f=-2.2!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.689 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -2.18 K(o=-2.2,f=-5.4!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.96 K(o=-2,f=-5.9!) USER MOD Single : A 27 SER OG : rot 54:sc= 0.201 USER MOD Single : A 28 ASN : amide:sc= -3.23! C(o=-3.2!,f=-9.4!) USER MOD Single : A 30 THR OG1 : rot -38:sc= 0.535 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0969 X(o=-0.097,f=-0.18) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 57:sc= 1.2 USER MOD Single : A 58 GLN : amide:sc= -0.415 X(o=-0.41,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= -0.0521 (180deg=-0.371) USER MOD Single : A 64 ASN : amide:sc= -7.53! C(o=-7.5!,f=-5.6!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0601 USER MOD Single : A 67 GLN : amide:sc= -2.82 X(o=-2.8,f=-2.6!) USER MOD Single : A 72 TYR OH : rot 30:sc= -3.81! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.8!) USER MOD Single : A 77 ASN : amide:sc= -2.62 K(o=-2.6,f=-0.18) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0491 X(o=-0.049,f=0) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0128 USER MOD Single : A 137 PNS S44 : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -4.762 7.927 -5.041 1.00 0.00 N ATOM 2 CA LEU A 1 -4.242 7.197 -3.889 1.00 0.00 C ATOM 3 C LEU A 1 -2.770 7.520 -3.659 1.00 0.00 C ATOM 4 O LEU A 1 -2.028 7.793 -4.603 1.00 0.00 O ATOM 5 CB LEU A 1 -4.420 5.691 -4.093 1.00 0.00 C ATOM 6 CG LEU A 1 -3.477 5.034 -5.101 1.00 0.00 C ATOM 7 CD1 LEU A 1 -2.335 4.329 -4.385 1.00 0.00 C ATOM 8 CD2 LEU A 1 -4.238 4.057 -5.986 1.00 0.00 C ATOM 0 H1 LEU A 1 -5.241 7.265 -5.684 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.439 8.648 -4.719 1.00 0.00 H new ATOM 0 H3 LEU A 1 -3.977 8.389 -5.542 1.00 0.00 H new ATOM 0 HA LEU A 1 -4.804 7.508 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -4.292 5.197 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -5.446 5.507 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 1 -3.054 5.814 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.675 3.868 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -1.773 5.053 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -2.738 3.560 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -3.551 3.599 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -4.690 3.282 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -5.019 4.590 -6.528 1.00 0.00 H new ATOM 20 N LYS A 2 -2.352 7.486 -2.398 1.00 0.00 N ATOM 21 CA LYS A 2 -0.967 7.772 -2.042 1.00 0.00 C ATOM 22 C LYS A 2 -0.322 6.571 -1.359 1.00 0.00 C ATOM 23 O LYS A 2 0.508 5.880 -1.951 1.00 0.00 O ATOM 24 CB LYS A 2 -0.897 8.993 -1.123 1.00 0.00 C ATOM 25 CG LYS A 2 -1.091 10.313 -1.849 1.00 0.00 C ATOM 26 CD LYS A 2 -1.986 11.256 -1.062 1.00 0.00 C ATOM 27 CE LYS A 2 -1.330 12.615 -0.868 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.316 13.726 -0.967 1.00 0.00 N ATOM 0 H LYS A 2 -2.953 7.263 -1.605 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.418 7.984 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.658 8.899 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.070 9.003 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.122 10.784 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.529 10.129 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.935 11.380 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.212 10.818 -0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.843 12.647 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.551 12.753 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.917 14.493 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.189 13.377 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.531 14.085 -0.015 1.00 0.00 H new ATOM 42 N SER A 3 -0.709 6.326 -0.111 1.00 0.00 N ATOM 43 CA SER A 3 -0.167 5.209 0.652 1.00 0.00 C ATOM 44 C SER A 3 -1.143 4.768 1.738 1.00 0.00 C ATOM 45 O SER A 3 -1.794 3.729 1.621 1.00 0.00 O ATOM 46 CB SER A 3 1.173 5.597 1.282 1.00 0.00 C ATOM 47 OG SER A 3 1.189 6.968 1.641 1.00 0.00 O ATOM 0 H SER A 3 -1.396 6.887 0.393 1.00 0.00 H new ATOM 0 HA SER A 3 -0.011 4.375 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.354 4.984 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.981 5.392 0.580 1.00 0.00 H new ATOM 0 HG SER A 3 2.116 7.270 1.738 1.00 0.00 H new ATOM 53 N THR A 4 -1.241 5.565 2.798 1.00 0.00 N ATOM 54 CA THR A 4 -2.136 5.258 3.906 1.00 0.00 C ATOM 55 C THR A 4 -3.573 5.095 3.423 1.00 0.00 C ATOM 56 O THR A 4 -4.355 4.349 4.012 1.00 0.00 O ATOM 57 CB THR A 4 -2.091 6.356 4.985 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.748 5.902 6.173 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.754 7.632 4.488 1.00 0.00 C ATOM 0 H THR A 4 -0.711 6.429 2.912 1.00 0.00 H new ATOM 0 HA THR A 4 -1.792 4.319 4.339 1.00 0.00 H new ATOM 0 HB THR A 4 -1.046 6.572 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.714 6.605 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.710 8.393 5.268 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.233 7.991 3.601 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.795 7.428 4.239 1.00 0.00 H new ATOM 67 N PHE A 5 -3.914 5.797 2.348 1.00 0.00 N ATOM 68 CA PHE A 5 -5.258 5.730 1.786 1.00 0.00 C ATOM 69 C PHE A 5 -5.709 4.281 1.626 1.00 0.00 C ATOM 70 O PHE A 5 -6.886 3.964 1.793 1.00 0.00 O ATOM 71 CB PHE A 5 -5.304 6.442 0.432 1.00 0.00 C ATOM 72 CG PHE A 5 -6.690 6.571 -0.130 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.767 6.839 0.700 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.917 6.425 -1.489 1.00 0.00 C ATOM 75 CE1 PHE A 5 -9.044 6.957 0.184 1.00 0.00 C ATOM 76 CE2 PHE A 5 -8.192 6.543 -2.011 1.00 0.00 C ATOM 77 CZ PHE A 5 -9.257 6.810 -1.173 1.00 0.00 C ATOM 0 H PHE A 5 -3.278 6.419 1.848 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.938 6.230 2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.870 7.436 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.682 5.897 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.607 6.957 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.088 6.216 -2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.875 7.164 0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.355 6.427 -3.072 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.254 6.904 -1.578 1.00 0.00 H new ATOM 87 N ASP A 6 -4.763 3.406 1.301 1.00 0.00 N ATOM 88 CA ASP A 6 -5.062 1.990 1.118 1.00 0.00 C ATOM 89 C ASP A 6 -5.697 1.403 2.375 1.00 0.00 C ATOM 90 O ASP A 6 -6.900 1.148 2.413 1.00 0.00 O ATOM 91 CB ASP A 6 -3.788 1.220 0.767 1.00 0.00 C ATOM 92 CG ASP A 6 -4.043 -0.262 0.573 1.00 0.00 C ATOM 93 OD1 ASP A 6 -5.089 -0.612 -0.012 1.00 0.00 O ATOM 94 OD2 ASP A 6 -3.197 -1.072 1.007 1.00 0.00 O ATOM 0 H ASP A 6 -3.783 3.652 1.159 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.772 1.896 0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.356 1.634 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.053 1.359 1.560 1.00 0.00 H new ATOM 99 N ASP A 7 -4.879 1.190 3.400 1.00 0.00 N ATOM 100 CA ASP A 7 -5.361 0.632 4.659 1.00 0.00 C ATOM 101 C ASP A 7 -6.590 1.387 5.153 1.00 0.00 C ATOM 102 O ASP A 7 -7.487 0.803 5.762 1.00 0.00 O ATOM 103 CB ASP A 7 -4.258 0.679 5.717 1.00 0.00 C ATOM 104 CG ASP A 7 -4.636 -0.068 6.981 1.00 0.00 C ATOM 105 OD1 ASP A 7 -5.253 -1.147 6.869 1.00 0.00 O ATOM 106 OD2 ASP A 7 -4.314 0.427 8.082 1.00 0.00 O ATOM 0 H ASP A 7 -3.880 1.395 3.384 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.642 -0.407 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.345 0.250 5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.039 1.718 5.964 1.00 0.00 H new ATOM 111 N ILE A 8 -6.625 2.689 4.888 1.00 0.00 N ATOM 112 CA ILE A 8 -7.744 3.524 5.306 1.00 0.00 C ATOM 113 C ILE A 8 -9.017 3.155 4.551 1.00 0.00 C ATOM 114 O ILE A 8 -10.114 3.181 5.111 1.00 0.00 O ATOM 115 CB ILE A 8 -7.445 5.018 5.085 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.503 5.539 6.173 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.738 5.820 5.068 1.00 0.00 C ATOM 118 CD1 ILE A 8 -6.042 6.961 5.943 1.00 0.00 C ATOM 0 H ILE A 8 -5.891 3.188 4.386 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.891 3.345 6.371 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.954 5.136 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.008 5.481 7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.631 4.888 6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.510 6.874 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.377 5.463 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.254 5.698 6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.378 7.264 6.753 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.509 7.022 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.907 7.624 5.916 1.00 0.00 H new ATOM 130 N LYS A 9 -8.864 2.809 3.278 1.00 0.00 N ATOM 131 CA LYS A 9 -10.000 2.430 2.445 1.00 0.00 C ATOM 132 C LYS A 9 -10.553 1.072 2.864 1.00 0.00 C ATOM 133 O LYS A 9 -11.721 0.766 2.627 1.00 0.00 O ATOM 134 CB LYS A 9 -9.588 2.393 0.972 1.00 0.00 C ATOM 135 CG LYS A 9 -9.227 1.004 0.476 1.00 0.00 C ATOM 136 CD LYS A 9 -8.297 1.064 -0.724 1.00 0.00 C ATOM 137 CE LYS A 9 -8.816 0.215 -1.875 1.00 0.00 C ATOM 138 NZ LYS A 9 -7.728 -0.161 -2.820 1.00 0.00 N ATOM 0 H LYS A 9 -7.964 2.783 2.799 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.782 3.177 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.404 2.786 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.735 3.055 0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.750 0.443 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.136 0.465 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.191 2.098 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.305 0.718 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.282 -0.688 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.590 0.764 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.121 -0.739 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.300 0.700 -3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.002 -0.707 -2.314 1.00 0.00 H new ATOM 152 N LYS A 10 -9.706 0.261 3.489 1.00 0.00 N ATOM 153 CA LYS A 10 -10.110 -1.064 3.944 1.00 0.00 C ATOM 154 C LYS A 10 -10.902 -0.975 5.244 1.00 0.00 C ATOM 155 O LYS A 10 -11.968 -1.577 5.375 1.00 0.00 O ATOM 156 CB LYS A 10 -8.881 -1.954 4.143 1.00 0.00 C ATOM 157 CG LYS A 10 -7.793 -1.730 3.107 1.00 0.00 C ATOM 158 CD LYS A 10 -6.855 -2.922 3.016 1.00 0.00 C ATOM 159 CE LYS A 10 -7.219 -3.830 1.851 1.00 0.00 C ATOM 160 NZ LYS A 10 -6.204 -4.899 1.642 1.00 0.00 N ATOM 0 H LYS A 10 -8.735 0.498 3.692 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.750 -1.504 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.469 -1.773 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.191 -2.999 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.248 -1.549 2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.224 -0.837 3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.830 -2.571 2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.894 -3.489 3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.192 -4.285 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.312 -3.235 0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.489 -5.496 0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.280 -4.466 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.133 -5.483 2.500 1.00 0.00 H new ATOM 174 N ILE A 11 -10.375 -0.220 6.202 1.00 0.00 N ATOM 175 CA ILE A 11 -11.035 -0.051 7.491 1.00 0.00 C ATOM 176 C ILE A 11 -12.389 0.633 7.329 1.00 0.00 C ATOM 177 O ILE A 11 -13.362 0.268 7.990 1.00 0.00 O ATOM 178 CB ILE A 11 -10.170 0.773 8.462 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.803 2.120 7.837 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.915 0.000 8.840 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.847 2.937 8.678 1.00 0.00 C ATOM 0 H ILE A 11 -9.493 0.284 6.110 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.181 -1.049 7.905 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.746 0.959 9.368 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.356 1.947 6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.714 2.696 7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.314 0.596 9.527 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.196 -0.936 9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.335 -0.214 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.631 3.879 8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.299 3.141 9.648 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.920 2.381 8.819 1.00 0.00 H new ATOM 193 N ILE A 12 -12.443 1.624 6.446 1.00 0.00 N ATOM 194 CA ILE A 12 -13.679 2.356 6.195 1.00 0.00 C ATOM 195 C ILE A 12 -14.649 1.527 5.360 1.00 0.00 C ATOM 196 O ILE A 12 -15.866 1.654 5.497 1.00 0.00 O ATOM 197 CB ILE A 12 -13.407 3.689 5.473 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.832 3.431 4.079 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.457 4.550 6.292 1.00 0.00 C ATOM 200 CD1 ILE A 12 -13.843 3.606 2.967 1.00 0.00 C ATOM 0 H ILE A 12 -11.646 1.939 5.893 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.126 2.563 7.167 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.350 4.225 5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.995 4.109 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.434 2.417 4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.274 5.489 5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.902 4.758 7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.514 4.021 6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.366 3.407 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.669 2.910 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -14.224 4.627 2.979 1.00 0.00 H new ATOM 212 N SER A 13 -14.102 0.678 4.497 1.00 0.00 N ATOM 213 CA SER A 13 -14.919 -0.171 3.637 1.00 0.00 C ATOM 214 C SER A 13 -15.735 -1.159 4.467 1.00 0.00 C ATOM 215 O SER A 13 -16.892 -1.441 4.157 1.00 0.00 O ATOM 216 CB SER A 13 -14.036 -0.929 2.645 1.00 0.00 C ATOM 217 OG SER A 13 -14.706 -2.067 2.131 1.00 0.00 O ATOM 0 H SER A 13 -13.096 0.559 4.374 1.00 0.00 H new ATOM 0 HA SER A 13 -15.607 0.469 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.754 -0.268 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.114 -1.238 3.137 1.00 0.00 H new ATOM 0 HG SER A 13 -14.121 -2.533 1.498 1.00 0.00 H new ATOM 223 N LYS A 14 -15.122 -1.682 5.523 1.00 0.00 N ATOM 224 CA LYS A 14 -15.789 -2.637 6.400 1.00 0.00 C ATOM 225 C LYS A 14 -16.502 -1.921 7.542 1.00 0.00 C ATOM 226 O LYS A 14 -17.480 -2.429 8.089 1.00 0.00 O ATOM 227 CB LYS A 14 -14.776 -3.637 6.963 1.00 0.00 C ATOM 228 CG LYS A 14 -15.360 -4.571 8.009 1.00 0.00 C ATOM 229 CD LYS A 14 -15.082 -4.075 9.418 1.00 0.00 C ATOM 230 CE LYS A 14 -13.958 -4.863 10.074 1.00 0.00 C ATOM 231 NZ LYS A 14 -13.687 -4.392 11.460 1.00 0.00 N ATOM 0 H LYS A 14 -14.164 -1.461 5.793 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.533 -3.175 5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.370 -4.231 6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.943 -3.089 7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.436 -4.659 7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.938 -5.568 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.817 -3.018 9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.987 -4.160 10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.220 -5.921 10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.052 -4.770 9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.915 -4.954 11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.412 -3.389 11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.544 -4.504 12.038 1.00 0.00 H new ATOM 245 N GLN A 15 -16.006 -0.740 7.895 1.00 0.00 N ATOM 246 CA GLN A 15 -16.598 0.045 8.972 1.00 0.00 C ATOM 247 C GLN A 15 -17.999 0.516 8.596 1.00 0.00 C ATOM 248 O GLN A 15 -18.977 0.189 9.270 1.00 0.00 O ATOM 249 CB GLN A 15 -15.713 1.249 9.300 1.00 0.00 C ATOM 250 CG GLN A 15 -16.322 2.190 10.327 1.00 0.00 C ATOM 251 CD GLN A 15 -16.669 1.490 11.626 1.00 0.00 C ATOM 252 OE1 GLN A 15 -15.954 0.591 12.071 1.00 0.00 O ATOM 253 NE2 GLN A 15 -17.771 1.899 12.244 1.00 0.00 N ATOM 0 H GLN A 15 -15.197 -0.306 7.452 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.673 -0.592 9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.752 0.893 9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.515 1.804 8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.623 3.001 10.531 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.222 2.643 9.911 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.334 2.647 11.840 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.054 1.465 13.123 1.00 0.00 H new ATOM 262 N LEU A 16 -18.089 1.286 7.517 1.00 0.00 N ATOM 263 CA LEU A 16 -19.371 1.803 7.051 1.00 0.00 C ATOM 264 C LEU A 16 -19.776 1.149 5.734 1.00 0.00 C ATOM 265 O LEU A 16 -20.774 0.432 5.667 1.00 0.00 O ATOM 266 CB LEU A 16 -19.299 3.322 6.879 1.00 0.00 C ATOM 267 CG LEU A 16 -18.571 4.089 7.983 1.00 0.00 C ATOM 268 CD1 LEU A 16 -17.086 4.195 7.670 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.181 5.471 8.163 1.00 0.00 C ATOM 0 H LEU A 16 -17.290 1.566 6.949 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.125 1.564 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.808 3.537 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -20.316 3.708 6.806 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.685 3.539 8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.584 4.744 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.658 3.195 7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.950 4.722 6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.650 6.003 8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.098 6.029 7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.232 5.372 8.435 1.00 0.00 H new ATOM 281 N SER A 17 -18.992 1.400 4.690 1.00 0.00 N ATOM 282 CA SER A 17 -19.270 0.837 3.374 1.00 0.00 C ATOM 283 C SER A 17 -18.208 1.264 2.365 1.00 0.00 C ATOM 284 O SER A 17 -17.489 0.432 1.812 1.00 0.00 O ATOM 285 CB SER A 17 -20.654 1.273 2.890 1.00 0.00 C ATOM 286 OG SER A 17 -20.857 0.915 1.534 1.00 0.00 O ATOM 0 H SER A 17 -18.160 1.989 4.730 1.00 0.00 H new ATOM 0 HA SER A 17 -19.249 -0.249 3.460 1.00 0.00 H new ATOM 0 HB2 SER A 17 -21.422 0.810 3.510 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.759 2.352 3.004 1.00 0.00 H new ATOM 0 HG SER A 17 -21.749 1.203 1.250 1.00 0.00 H new ATOM 292 N VAL A 18 -18.117 2.570 2.129 1.00 0.00 N ATOM 293 CA VAL A 18 -17.143 3.110 1.188 1.00 0.00 C ATOM 294 C VAL A 18 -17.303 4.619 1.038 1.00 0.00 C ATOM 295 O VAL A 18 -18.408 5.118 0.828 1.00 0.00 O ATOM 296 CB VAL A 18 -17.276 2.450 -0.197 1.00 0.00 C ATOM 297 CG1 VAL A 18 -18.736 2.386 -0.621 1.00 0.00 C ATOM 298 CG2 VAL A 18 -16.446 3.203 -1.227 1.00 0.00 C ATOM 0 H VAL A 18 -18.706 3.272 2.576 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.155 2.891 1.593 1.00 0.00 H new ATOM 0 HB VAL A 18 -16.897 1.430 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.810 1.917 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.300 1.800 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.145 3.395 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.551 2.723 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -16.794 4.234 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.398 3.192 -0.928 1.00 0.00 H new ATOM 308 N GLU A 19 -16.191 5.340 1.147 1.00 0.00 N ATOM 309 CA GLU A 19 -16.208 6.792 1.024 1.00 0.00 C ATOM 310 C GLU A 19 -14.934 7.297 0.353 1.00 0.00 C ATOM 311 O GLU A 19 -14.520 8.436 0.563 1.00 0.00 O ATOM 312 CB GLU A 19 -16.365 7.442 2.400 1.00 0.00 C ATOM 313 CG GLU A 19 -15.303 7.014 3.399 1.00 0.00 C ATOM 314 CD GLU A 19 -15.824 6.012 4.411 1.00 0.00 C ATOM 315 OE1 GLU A 19 -16.474 5.030 3.995 1.00 0.00 O ATOM 316 OE2 GLU A 19 -15.582 6.210 5.620 1.00 0.00 O ATOM 0 H GLU A 19 -15.268 4.942 1.320 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.059 7.067 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.330 8.526 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.349 7.195 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.460 6.578 2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.928 7.893 3.923 1.00 0.00 H new ATOM 323 N GLU A 20 -14.317 6.439 -0.453 1.00 0.00 N ATOM 324 CA GLU A 20 -13.089 6.797 -1.153 1.00 0.00 C ATOM 325 C GLU A 20 -13.339 7.926 -2.148 1.00 0.00 C ATOM 326 O GLU A 20 -12.427 8.678 -2.493 1.00 0.00 O ATOM 327 CB GLU A 20 -12.516 5.578 -1.881 1.00 0.00 C ATOM 328 CG GLU A 20 -13.535 4.848 -2.740 1.00 0.00 C ATOM 329 CD GLU A 20 -12.896 4.096 -3.891 1.00 0.00 C ATOM 330 OE1 GLU A 20 -11.921 4.617 -4.472 1.00 0.00 O ATOM 331 OE2 GLU A 20 -13.370 2.985 -4.209 1.00 0.00 O ATOM 0 H GLU A 20 -14.647 5.492 -0.637 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.367 7.142 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.686 5.898 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.109 4.884 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.093 4.148 -2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.253 5.567 -3.135 1.00 0.00 H new ATOM 338 N ASP A 21 -14.581 8.038 -2.607 1.00 0.00 N ATOM 339 CA ASP A 21 -14.953 9.075 -3.562 1.00 0.00 C ATOM 340 C ASP A 21 -15.458 10.321 -2.842 1.00 0.00 C ATOM 341 O ASP A 21 -15.967 11.250 -3.469 1.00 0.00 O ATOM 342 CB ASP A 21 -16.025 8.554 -4.521 1.00 0.00 C ATOM 343 CG ASP A 21 -15.431 7.865 -5.734 1.00 0.00 C ATOM 344 OD1 ASP A 21 -14.733 8.541 -6.519 1.00 0.00 O ATOM 345 OD2 ASP A 21 -15.665 6.650 -5.899 1.00 0.00 O ATOM 0 H ASP A 21 -15.347 7.423 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.065 9.344 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.674 7.856 -3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.650 9.385 -4.848 1.00 0.00 H new ATOM 350 N LYS A 22 -15.316 10.333 -1.521 1.00 0.00 N ATOM 351 CA LYS A 22 -15.758 11.464 -0.714 1.00 0.00 C ATOM 352 C LYS A 22 -14.861 11.645 0.507 1.00 0.00 C ATOM 353 O LYS A 22 -15.224 12.338 1.457 1.00 0.00 O ATOM 354 CB LYS A 22 -17.209 11.265 -0.270 1.00 0.00 C ATOM 355 CG LYS A 22 -17.554 9.820 0.049 1.00 0.00 C ATOM 356 CD LYS A 22 -18.394 9.713 1.310 1.00 0.00 C ATOM 357 CE LYS A 22 -19.780 10.307 1.109 1.00 0.00 C ATOM 358 NZ LYS A 22 -20.066 11.392 2.088 1.00 0.00 N ATOM 0 H LYS A 22 -14.898 9.572 -0.986 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.693 12.363 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.398 11.878 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.873 11.624 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.096 9.381 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.637 9.244 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.484 8.666 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.891 10.229 2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.863 10.701 0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.529 9.522 1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.020 11.771 1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.012 11.011 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.366 12.153 1.977 1.00 0.00 H new ATOM 372 N ILE A 23 -13.690 11.019 0.472 1.00 0.00 N ATOM 373 CA ILE A 23 -12.741 11.113 1.575 1.00 0.00 C ATOM 374 C ILE A 23 -11.368 11.555 1.082 1.00 0.00 C ATOM 375 O ILE A 23 -10.347 11.229 1.687 1.00 0.00 O ATOM 376 CB ILE A 23 -12.602 9.769 2.314 1.00 0.00 C ATOM 377 CG1 ILE A 23 -11.957 9.981 3.686 1.00 0.00 C ATOM 378 CG2 ILE A 23 -11.784 8.791 1.484 1.00 0.00 C ATOM 379 CD1 ILE A 23 -12.958 10.075 4.816 1.00 0.00 C ATOM 0 H ILE A 23 -13.375 10.441 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.133 11.859 2.266 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.596 9.347 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.271 9.158 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.362 10.894 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.694 7.846 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.280 8.621 0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.791 9.204 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.430 10.225 5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.629 10.915 4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.537 9.153 4.867 1.00 0.00 H new ATOM 391 N GLN A 24 -11.351 12.299 -0.019 1.00 0.00 N ATOM 392 CA GLN A 24 -10.102 12.787 -0.592 1.00 0.00 C ATOM 393 C GLN A 24 -10.013 14.306 -0.491 1.00 0.00 C ATOM 394 O GLN A 24 -9.537 14.972 -1.411 1.00 0.00 O ATOM 395 CB GLN A 24 -9.984 12.353 -2.054 1.00 0.00 C ATOM 396 CG GLN A 24 -11.007 13.009 -2.968 1.00 0.00 C ATOM 397 CD GLN A 24 -12.316 12.248 -3.020 1.00 0.00 C ATOM 398 OE1 GLN A 24 -12.358 11.089 -3.436 1.00 0.00 O ATOM 399 NE2 GLN A 24 -13.396 12.896 -2.598 1.00 0.00 N ATOM 0 H GLN A 24 -12.188 12.577 -0.532 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.278 12.355 -0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.983 12.589 -2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.097 11.271 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.196 14.026 -2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.594 13.084 -3.974 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -13.316 13.856 -2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.305 12.434 -2.611 1.00 0.00 H new ATOM 408 N MET A 25 -10.475 14.847 0.631 1.00 0.00 N ATOM 409 CA MET A 25 -10.446 16.289 0.852 1.00 0.00 C ATOM 410 C MET A 25 -9.122 16.717 1.477 1.00 0.00 C ATOM 411 O MET A 25 -8.788 17.901 1.497 1.00 0.00 O ATOM 412 CB MET A 25 -11.608 16.712 1.752 1.00 0.00 C ATOM 413 CG MET A 25 -12.950 16.739 1.039 1.00 0.00 C ATOM 414 SD MET A 25 -13.290 18.328 0.258 1.00 0.00 S ATOM 415 CE MET A 25 -13.541 17.823 -1.442 1.00 0.00 C ATOM 0 H MET A 25 -10.874 14.310 1.401 1.00 0.00 H new ATOM 0 HA MET A 25 -10.547 16.781 -0.115 1.00 0.00 H new ATOM 0 HB2 MET A 25 -11.669 16.028 2.598 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.401 17.702 2.157 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.971 15.955 0.282 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.741 16.513 1.754 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.762 18.698 -2.053 1.00 0.00 H new ATOM 0 HE2 MET A 25 -12.638 17.339 -1.815 1.00 0.00 H new ATOM 0 HE3 MET A 25 -14.376 17.124 -1.494 1.00 0.00 H new ATOM 425 N ASN A 26 -8.371 15.745 1.986 1.00 0.00 N ATOM 426 CA ASN A 26 -7.084 16.022 2.612 1.00 0.00 C ATOM 427 C ASN A 26 -7.223 17.090 3.693 1.00 0.00 C ATOM 428 O ASN A 26 -6.277 17.821 3.984 1.00 0.00 O ATOM 429 CB ASN A 26 -6.068 16.475 1.561 1.00 0.00 C ATOM 430 CG ASN A 26 -6.238 15.745 0.242 1.00 0.00 C ATOM 431 OD1 ASN A 26 -5.614 14.710 0.008 1.00 0.00 O ATOM 432 ND2 ASN A 26 -7.086 16.284 -0.627 1.00 0.00 N ATOM 0 H ASN A 26 -8.632 14.759 1.977 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.730 15.102 3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.173 17.547 1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.059 16.308 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.242 15.838 -1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.582 17.143 -0.390 1.00 0.00 H new ATOM 439 N SER A 27 -8.410 17.173 4.285 1.00 0.00 N ATOM 440 CA SER A 27 -8.676 18.153 5.332 1.00 0.00 C ATOM 441 C SER A 27 -8.789 17.476 6.694 1.00 0.00 C ATOM 442 O SER A 27 -7.863 17.526 7.503 1.00 0.00 O ATOM 443 CB SER A 27 -9.961 18.924 5.024 1.00 0.00 C ATOM 444 OG SER A 27 -9.822 19.697 3.845 1.00 0.00 O ATOM 0 H SER A 27 -9.203 16.573 4.058 1.00 0.00 H new ATOM 0 HA SER A 27 -7.840 18.852 5.362 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.789 18.225 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.208 19.575 5.863 1.00 0.00 H new ATOM 0 HG SER A 27 -9.527 19.121 3.109 1.00 0.00 H new ATOM 450 N ASN A 28 -9.931 16.843 6.940 1.00 0.00 N ATOM 451 CA ASN A 28 -10.167 16.156 8.205 1.00 0.00 C ATOM 452 C ASN A 28 -11.055 14.932 8.001 1.00 0.00 C ATOM 453 O ASN A 28 -11.864 14.885 7.073 1.00 0.00 O ATOM 454 CB ASN A 28 -10.814 17.107 9.213 1.00 0.00 C ATOM 455 CG ASN A 28 -10.863 18.537 8.710 1.00 0.00 C ATOM 456 OD1 ASN A 28 -11.889 18.995 8.207 1.00 0.00 O ATOM 457 ND2 ASN A 28 -9.750 19.249 8.844 1.00 0.00 N ATOM 0 H ASN A 28 -10.707 16.791 6.281 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.205 15.824 8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.826 16.767 9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.257 17.073 10.149 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.722 20.217 8.524 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.923 18.828 9.267 1.00 0.00 H new ATOM 464 N PHE A 29 -10.900 13.943 8.875 1.00 0.00 N ATOM 465 CA PHE A 29 -11.688 12.718 8.792 1.00 0.00 C ATOM 466 C PHE A 29 -12.920 12.802 9.687 1.00 0.00 C ATOM 467 O PHE A 29 -13.968 12.234 9.376 1.00 0.00 O ATOM 468 CB PHE A 29 -10.836 11.511 9.189 1.00 0.00 C ATOM 469 CG PHE A 29 -10.270 10.764 8.015 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.229 11.298 7.273 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.780 9.527 7.654 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.708 10.612 6.192 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.262 8.836 6.575 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.224 9.380 5.843 1.00 0.00 C ATOM 0 H PHE A 29 -10.236 13.966 9.649 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.018 12.597 7.760 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.017 11.848 9.824 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.442 10.829 9.785 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.820 12.261 7.542 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.592 9.098 8.223 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.897 11.040 5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.668 7.872 6.304 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.817 8.842 4.999 1.00 0.00 H new ATOM 484 N THR A 30 -12.787 13.515 10.802 1.00 0.00 N ATOM 485 CA THR A 30 -13.888 13.672 11.744 1.00 0.00 C ATOM 486 C THR A 30 -14.252 15.142 11.923 1.00 0.00 C ATOM 487 O THR A 30 -15.112 15.485 12.735 1.00 0.00 O ATOM 488 CB THR A 30 -13.542 13.070 13.118 1.00 0.00 C ATOM 489 OG1 THR A 30 -14.711 13.027 13.943 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.458 13.884 13.808 1.00 0.00 C ATOM 0 H THR A 30 -11.928 13.992 11.074 1.00 0.00 H new ATOM 0 HA THR A 30 -14.741 13.137 11.326 1.00 0.00 H new ATOM 0 HB THR A 30 -13.170 12.057 12.963 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.251 13.830 13.787 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.230 13.439 14.777 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.559 13.890 13.191 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.807 14.907 13.951 1.00 0.00 H new ATOM 498 N LYS A 31 -13.594 16.007 11.159 1.00 0.00 N ATOM 499 CA LYS A 31 -13.849 17.441 11.232 1.00 0.00 C ATOM 500 C LYS A 31 -14.314 17.979 9.882 1.00 0.00 C ATOM 501 O LYS A 31 -14.803 19.106 9.788 1.00 0.00 O ATOM 502 CB LYS A 31 -12.588 18.182 11.682 1.00 0.00 C ATOM 503 CG LYS A 31 -11.567 17.287 12.361 1.00 0.00 C ATOM 504 CD LYS A 31 -10.316 18.060 12.745 1.00 0.00 C ATOM 505 CE LYS A 31 -10.083 18.033 14.247 1.00 0.00 C ATOM 506 NZ LYS A 31 -8.731 18.545 14.608 1.00 0.00 N ATOM 0 H LYS A 31 -12.880 15.740 10.482 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.640 17.608 11.963 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.125 18.654 10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.871 18.981 12.367 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.008 16.841 13.252 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.299 16.468 11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.453 17.634 12.234 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.408 19.093 12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.844 18.635 14.743 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.195 17.013 14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.611 18.510 15.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.004 17.955 14.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.633 19.527 14.281 1.00 0.00 H new ATOM 520 N ASP A 32 -14.160 17.168 8.842 1.00 0.00 N ATOM 521 CA ASP A 32 -14.567 17.563 7.498 1.00 0.00 C ATOM 522 C ASP A 32 -15.887 16.902 7.114 1.00 0.00 C ATOM 523 O ASP A 32 -16.900 17.578 6.925 1.00 0.00 O ATOM 524 CB ASP A 32 -13.483 17.192 6.485 1.00 0.00 C ATOM 525 CG ASP A 32 -13.389 18.189 5.347 1.00 0.00 C ATOM 526 OD1 ASP A 32 -13.258 19.398 5.627 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.448 17.760 4.175 1.00 0.00 O ATOM 0 H ASP A 32 -13.756 16.233 8.903 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.707 18.644 7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.520 17.133 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.692 16.202 6.080 1.00 0.00 H new ATOM 532 N LEU A 33 -15.870 15.579 6.999 1.00 0.00 N ATOM 533 CA LEU A 33 -17.065 14.826 6.637 1.00 0.00 C ATOM 534 C LEU A 33 -18.045 14.765 7.804 1.00 0.00 C ATOM 535 O LEU A 33 -19.251 14.619 7.608 1.00 0.00 O ATOM 536 CB LEU A 33 -16.687 13.410 6.199 1.00 0.00 C ATOM 537 CG LEU A 33 -15.701 12.669 7.102 1.00 0.00 C ATOM 538 CD1 LEU A 33 -16.279 11.332 7.539 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.371 12.470 6.390 1.00 0.00 C ATOM 0 H LEU A 33 -15.041 15.005 7.151 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.549 15.339 5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.599 12.818 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.262 13.463 5.197 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.527 13.275 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.563 10.819 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.205 11.498 8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.483 10.719 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.682 11.941 7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.528 11.886 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.950 13.441 6.128 1.00 0.00 H new ATOM 551 N GLY A 34 -17.518 14.880 9.019 1.00 0.00 N ATOM 552 CA GLY A 34 -18.361 14.837 10.200 1.00 0.00 C ATOM 553 C GLY A 34 -19.269 13.623 10.221 1.00 0.00 C ATOM 554 O GLY A 34 -20.478 13.747 10.414 1.00 0.00 O ATOM 0 H GLY A 34 -16.523 15.002 9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.733 14.832 11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.968 15.741 10.242 1.00 0.00 H new ATOM 558 N ALA A 35 -18.685 12.446 10.021 1.00 0.00 N ATOM 559 CA ALA A 35 -19.449 11.205 10.018 1.00 0.00 C ATOM 560 C ALA A 35 -19.900 10.835 11.427 1.00 0.00 C ATOM 561 O ALA A 35 -21.062 11.025 11.787 1.00 0.00 O ATOM 562 CB ALA A 35 -18.625 10.079 9.413 1.00 0.00 C ATOM 0 H ALA A 35 -17.685 12.326 9.859 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.339 11.357 9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.208 9.158 9.417 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.358 10.334 8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.718 9.936 10.000 1.00 0.00 H new ATOM 568 N ASP A 36 -18.975 10.304 12.219 1.00 0.00 N ATOM 569 CA ASP A 36 -19.277 9.907 13.589 1.00 0.00 C ATOM 570 C ASP A 36 -18.044 9.323 14.270 1.00 0.00 C ATOM 571 O ASP A 36 -17.457 8.332 13.839 1.00 0.00 O ATOM 572 CB ASP A 36 -20.417 8.888 13.607 1.00 0.00 C ATOM 573 CG ASP A 36 -21.617 9.374 14.396 1.00 0.00 C ATOM 574 OD1 ASP A 36 -22.273 10.336 13.944 1.00 0.00 O ATOM 575 OD2 ASP A 36 -21.899 8.795 15.465 1.00 0.00 O ATOM 0 H ASP A 36 -18.009 10.139 11.935 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.586 10.796 14.139 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.723 8.671 12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.058 7.953 14.037 1.00 0.00 H new ATOM 580 N SER A 37 -17.623 9.954 15.380 1.00 0.00 N ATOM 581 CA SER A 37 -16.452 9.583 16.206 1.00 0.00 C ATOM 582 C SER A 37 -16.303 8.062 16.375 1.00 0.00 C ATOM 583 O SER A 37 -15.210 7.503 16.274 1.00 0.00 O ATOM 584 CB SER A 37 -16.613 10.295 17.559 1.00 0.00 C ATOM 585 OG SER A 37 -17.740 9.788 18.276 1.00 0.00 O ATOM 0 H SER A 37 -18.109 10.773 15.745 1.00 0.00 H new ATOM 0 HA SER A 37 -15.534 9.899 15.710 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.709 10.161 18.154 1.00 0.00 H new ATOM 0 HB3 SER A 37 -16.733 11.366 17.398 1.00 0.00 H new ATOM 590 N LEU A 38 -17.428 7.407 16.637 1.00 0.00 N ATOM 591 CA LEU A 38 -17.446 5.960 16.825 1.00 0.00 C ATOM 592 C LEU A 38 -16.856 5.247 15.613 1.00 0.00 C ATOM 593 O LEU A 38 -16.001 4.372 15.750 1.00 0.00 O ATOM 594 CB LEU A 38 -18.875 5.475 17.072 1.00 0.00 C ATOM 595 CG LEU A 38 -19.664 6.227 18.145 1.00 0.00 C ATOM 596 CD1 LEU A 38 -20.543 7.294 17.512 1.00 0.00 C ATOM 597 CD2 LEU A 38 -20.503 5.259 18.966 1.00 0.00 C ATOM 0 H LEU A 38 -18.340 7.855 16.724 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.834 5.724 17.696 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.426 5.538 16.134 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -18.837 4.422 17.349 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.956 6.719 18.812 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.097 7.818 18.291 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.919 8.004 16.969 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.244 6.825 16.821 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.058 5.811 19.725 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.203 4.739 18.312 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -19.851 4.533 19.451 1.00 0.00 H new ATOM 609 N ASP A 39 -17.317 5.627 14.427 1.00 0.00 N ATOM 610 CA ASP A 39 -16.834 5.026 13.189 1.00 0.00 C ATOM 611 C ASP A 39 -15.372 5.389 12.944 1.00 0.00 C ATOM 612 O ASP A 39 -14.522 4.511 12.783 1.00 0.00 O ATOM 613 CB ASP A 39 -17.690 5.482 12.007 1.00 0.00 C ATOM 614 CG ASP A 39 -19.122 4.995 12.108 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.412 4.189 13.016 1.00 0.00 O ATOM 616 OD2 ASP A 39 -19.953 5.419 11.277 1.00 0.00 O ATOM 0 H ASP A 39 -18.025 6.349 14.296 1.00 0.00 H new ATOM 0 HA ASP A 39 -16.910 3.943 13.286 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.682 6.571 11.955 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.249 5.116 11.080 1.00 0.00 H new ATOM 621 N LEU A 40 -15.086 6.686 12.916 1.00 0.00 N ATOM 622 CA LEU A 40 -13.727 7.165 12.690 1.00 0.00 C ATOM 623 C LEU A 40 -12.744 6.480 13.634 1.00 0.00 C ATOM 624 O LEU A 40 -11.728 5.935 13.201 1.00 0.00 O ATOM 625 CB LEU A 40 -13.662 8.681 12.878 1.00 0.00 C ATOM 626 CG LEU A 40 -14.142 9.526 11.698 1.00 0.00 C ATOM 627 CD1 LEU A 40 -13.344 9.197 10.446 1.00 0.00 C ATOM 628 CD2 LEU A 40 -15.629 9.309 11.457 1.00 0.00 C ATOM 0 H LEU A 40 -15.777 7.425 13.047 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.447 6.920 11.665 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.257 8.944 13.753 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.631 8.955 13.099 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.983 10.577 11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.700 9.808 9.617 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.288 9.404 10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.471 8.143 10.200 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.954 9.918 10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.812 8.257 11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.188 9.596 12.348 1.00 0.00 H new ATOM 640 N VAL A 41 -13.053 6.511 14.926 1.00 0.00 N ATOM 641 CA VAL A 41 -12.199 5.891 15.932 1.00 0.00 C ATOM 642 C VAL A 41 -12.164 4.376 15.765 1.00 0.00 C ATOM 643 O VAL A 41 -11.198 3.722 16.154 1.00 0.00 O ATOM 644 CB VAL A 41 -12.675 6.229 17.358 1.00 0.00 C ATOM 645 CG1 VAL A 41 -11.822 5.507 18.390 1.00 0.00 C ATOM 646 CG2 VAL A 41 -12.645 7.733 17.587 1.00 0.00 C ATOM 0 H VAL A 41 -13.889 6.959 15.301 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.196 6.293 15.787 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.704 5.888 17.470 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.172 5.757 19.391 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.899 4.431 18.237 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.782 5.815 18.282 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -12.984 7.954 18.599 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -11.627 8.101 17.457 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.302 8.224 16.869 1.00 0.00 H new ATOM 656 N GLU A 42 -13.225 3.826 15.184 1.00 0.00 N ATOM 657 CA GLU A 42 -13.316 2.387 14.966 1.00 0.00 C ATOM 658 C GLU A 42 -12.407 1.953 13.819 1.00 0.00 C ATOM 659 O GLU A 42 -11.407 1.267 14.030 1.00 0.00 O ATOM 660 CB GLU A 42 -14.761 1.984 14.667 1.00 0.00 C ATOM 661 CG GLU A 42 -15.532 1.528 15.895 1.00 0.00 C ATOM 662 CD GLU A 42 -15.428 0.033 16.127 1.00 0.00 C ATOM 663 OE1 GLU A 42 -14.450 -0.400 16.771 1.00 0.00 O ATOM 664 OE2 GLU A 42 -16.324 -0.703 15.664 1.00 0.00 O ATOM 0 H GLU A 42 -14.033 4.355 14.856 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.988 1.886 15.877 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.280 2.830 14.216 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.760 1.181 13.930 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.156 2.055 16.772 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.581 1.803 15.784 1.00 0.00 H new ATOM 671 N LEU A 43 -12.764 2.356 12.604 1.00 0.00 N ATOM 672 CA LEU A 43 -11.982 2.009 11.423 1.00 0.00 C ATOM 673 C LEU A 43 -10.491 2.192 11.683 1.00 0.00 C ATOM 674 O LEU A 43 -9.674 1.367 11.272 1.00 0.00 O ATOM 675 CB LEU A 43 -12.413 2.868 10.232 1.00 0.00 C ATOM 676 CG LEU A 43 -12.334 4.382 10.433 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.082 4.943 9.778 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.578 5.059 9.878 1.00 0.00 C ATOM 0 H LEU A 43 -13.590 2.923 12.411 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.165 0.960 11.192 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.794 2.603 9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.440 2.609 9.975 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.281 4.585 11.503 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.043 6.021 9.932 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.201 4.481 10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.103 4.729 8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.505 6.136 10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.662 4.848 8.812 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.460 4.679 10.394 1.00 0.00 H new ATOM 690 N ILE A 44 -10.144 3.275 12.370 1.00 0.00 N ATOM 691 CA ILE A 44 -8.751 3.563 12.688 1.00 0.00 C ATOM 692 C ILE A 44 -8.170 2.506 13.621 1.00 0.00 C ATOM 693 O ILE A 44 -7.077 1.991 13.387 1.00 0.00 O ATOM 694 CB ILE A 44 -8.598 4.949 13.343 1.00 0.00 C ATOM 695 CG1 ILE A 44 -8.917 6.053 12.332 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.192 5.121 13.897 1.00 0.00 C ATOM 697 CD1 ILE A 44 -7.883 6.185 11.236 1.00 0.00 C ATOM 0 H ILE A 44 -10.808 3.967 12.717 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.204 3.553 11.745 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.305 5.024 14.170 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.889 5.852 11.881 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.000 7.004 12.858 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.100 6.105 14.356 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.999 4.352 14.645 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.468 5.029 13.087 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.174 6.986 10.556 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.913 6.417 11.677 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.816 5.247 10.684 1.00 0.00 H new ATOM 709 N MET A 45 -8.910 2.186 14.677 1.00 0.00 N ATOM 710 CA MET A 45 -8.469 1.187 15.644 1.00 0.00 C ATOM 711 C MET A 45 -8.060 -0.105 14.943 1.00 0.00 C ATOM 712 O MET A 45 -7.202 -0.841 15.429 1.00 0.00 O ATOM 713 CB MET A 45 -9.579 0.902 16.657 1.00 0.00 C ATOM 714 CG MET A 45 -10.464 -0.274 16.274 1.00 0.00 C ATOM 715 SD MET A 45 -9.898 -1.830 16.986 1.00 0.00 S ATOM 716 CE MET A 45 -11.401 -2.411 17.768 1.00 0.00 C ATOM 0 H MET A 45 -9.817 2.603 14.885 1.00 0.00 H new ATOM 0 HA MET A 45 -7.601 1.585 16.170 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.130 0.706 17.631 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.198 1.792 16.765 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.484 -0.078 16.603 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.491 -0.365 15.188 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.212 -3.368 18.254 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.728 -1.685 18.512 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.179 -2.534 17.015 1.00 0.00 H new ATOM 726 N ALA A 46 -8.680 -0.374 13.798 1.00 0.00 N ATOM 727 CA ALA A 46 -8.379 -1.575 13.030 1.00 0.00 C ATOM 728 C ALA A 46 -7.131 -1.382 12.175 1.00 0.00 C ATOM 729 O ALA A 46 -6.322 -2.298 12.024 1.00 0.00 O ATOM 730 CB ALA A 46 -9.566 -1.955 12.157 1.00 0.00 C ATOM 0 H ALA A 46 -9.394 0.224 13.382 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.184 -2.386 13.732 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.327 -2.854 11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.435 -2.144 12.787 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.788 -1.139 11.469 1.00 0.00 H new ATOM 736 N LEU A 47 -6.981 -0.185 11.618 1.00 0.00 N ATOM 737 CA LEU A 47 -5.831 0.128 10.777 1.00 0.00 C ATOM 738 C LEU A 47 -4.533 0.034 11.572 1.00 0.00 C ATOM 739 O LEU A 47 -3.491 -0.340 11.034 1.00 0.00 O ATOM 740 CB LEU A 47 -5.977 1.529 10.181 1.00 0.00 C ATOM 741 CG LEU A 47 -4.730 2.413 10.231 1.00 0.00 C ATOM 742 CD1 LEU A 47 -4.752 3.431 9.101 1.00 0.00 C ATOM 743 CD2 LEU A 47 -4.626 3.112 11.579 1.00 0.00 C ATOM 0 H LEU A 47 -7.641 0.584 11.734 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.794 -0.602 9.969 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.286 1.429 9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.783 2.043 10.705 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.853 1.779 10.104 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.857 4.051 9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.779 2.911 8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.636 4.061 9.196 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.733 3.737 11.597 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.507 3.734 11.735 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.563 2.366 12.372 1.00 0.00 H new ATOM 755 N GLU A 48 -4.605 0.373 12.855 1.00 0.00 N ATOM 756 CA GLU A 48 -3.435 0.325 13.724 1.00 0.00 C ATOM 757 C GLU A 48 -3.204 -1.090 14.248 1.00 0.00 C ATOM 758 O GLU A 48 -2.070 -1.565 14.299 1.00 0.00 O ATOM 759 CB GLU A 48 -3.603 1.293 14.897 1.00 0.00 C ATOM 760 CG GLU A 48 -4.833 1.015 15.745 1.00 0.00 C ATOM 761 CD GLU A 48 -5.046 2.059 16.824 1.00 0.00 C ATOM 762 OE1 GLU A 48 -5.709 3.079 16.541 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.550 1.856 17.952 1.00 0.00 O ATOM 0 H GLU A 48 -5.460 0.684 13.316 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.566 0.623 13.137 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.717 1.241 15.530 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.660 2.311 14.512 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.712 0.978 15.102 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.736 0.033 16.209 1.00 0.00 H new ATOM 770 N GLU A 49 -4.287 -1.755 14.636 1.00 0.00 N ATOM 771 CA GLU A 49 -4.202 -3.114 15.157 1.00 0.00 C ATOM 772 C GLU A 49 -3.459 -4.025 14.183 1.00 0.00 C ATOM 773 O GLU A 49 -2.689 -4.894 14.592 1.00 0.00 O ATOM 774 CB GLU A 49 -5.603 -3.670 15.424 1.00 0.00 C ATOM 775 CG GLU A 49 -5.622 -4.818 16.420 1.00 0.00 C ATOM 776 CD GLU A 49 -7.028 -5.233 16.805 1.00 0.00 C ATOM 777 OE1 GLU A 49 -7.987 -4.578 16.346 1.00 0.00 O ATOM 778 OE2 GLU A 49 -7.170 -6.213 17.566 1.00 0.00 O ATOM 0 H GLU A 49 -5.233 -1.375 14.600 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.646 -3.082 16.094 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.239 -2.867 15.796 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.036 -4.009 14.483 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.099 -5.673 15.993 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.075 -4.525 17.316 1.00 0.00 H new ATOM 785 N LYS A 50 -3.696 -3.819 12.892 1.00 0.00 N ATOM 786 CA LYS A 50 -3.051 -4.619 11.858 1.00 0.00 C ATOM 787 C LYS A 50 -1.667 -4.068 11.529 1.00 0.00 C ATOM 788 O LYS A 50 -0.727 -4.827 11.288 1.00 0.00 O ATOM 789 CB LYS A 50 -3.913 -4.648 10.594 1.00 0.00 C ATOM 790 CG LYS A 50 -3.279 -5.409 9.443 1.00 0.00 C ATOM 791 CD LYS A 50 -3.257 -6.905 9.708 1.00 0.00 C ATOM 792 CE LYS A 50 -3.578 -7.699 8.451 1.00 0.00 C ATOM 793 NZ LYS A 50 -2.610 -8.809 8.234 1.00 0.00 N ATOM 0 H LYS A 50 -4.331 -3.104 12.537 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.939 -5.635 12.237 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.876 -5.101 10.831 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.112 -3.624 10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.832 -5.209 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.261 -5.051 9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.275 -7.195 10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.979 -7.148 10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.586 -8.106 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.567 -7.033 7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.863 -9.326 7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.651 -8.419 8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.639 -9.459 9.046 1.00 0.00 H new ATOM 807 N PHE A 51 -1.547 -2.745 11.522 1.00 0.00 N ATOM 808 CA PHE A 51 -0.278 -2.093 11.224 1.00 0.00 C ATOM 809 C PHE A 51 0.761 -2.409 12.296 1.00 0.00 C ATOM 810 O PHE A 51 1.960 -2.233 12.084 1.00 0.00 O ATOM 811 CB PHE A 51 -0.470 -0.579 11.116 1.00 0.00 C ATOM 812 CG PHE A 51 -0.739 -0.107 9.715 1.00 0.00 C ATOM 813 CD1 PHE A 51 -1.381 -0.931 8.804 1.00 0.00 C ATOM 814 CD2 PHE A 51 -0.351 1.159 9.310 1.00 0.00 C ATOM 815 CE1 PHE A 51 -1.629 -0.499 7.515 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.596 1.596 8.022 1.00 0.00 C ATOM 817 CZ PHE A 51 -1.238 0.766 7.123 1.00 0.00 C ATOM 0 H PHE A 51 -2.314 -2.103 11.720 1.00 0.00 H new ATOM 0 HA PHE A 51 0.082 -2.476 10.269 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.299 -0.279 11.757 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.422 -0.080 11.494 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.691 -1.921 9.105 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.149 1.813 10.009 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.129 -1.151 6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.286 2.585 7.718 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.433 1.106 6.117 1.00 0.00 H new ATOM 827 N ASN A 52 0.291 -2.877 13.447 1.00 0.00 N ATOM 828 CA ASN A 52 1.179 -3.217 14.553 1.00 0.00 C ATOM 829 C ASN A 52 1.870 -1.972 15.099 1.00 0.00 C ATOM 830 O ASN A 52 3.097 -1.915 15.182 1.00 0.00 O ATOM 831 CB ASN A 52 2.225 -4.237 14.100 1.00 0.00 C ATOM 832 CG ASN A 52 2.932 -4.899 15.267 1.00 0.00 C ATOM 833 OD1 ASN A 52 3.988 -4.445 15.706 1.00 0.00 O ATOM 834 ND2 ASN A 52 2.349 -5.979 15.776 1.00 0.00 N ATOM 0 H ASN A 52 -0.699 -3.030 13.639 1.00 0.00 H new ATOM 0 HA ASN A 52 0.576 -3.654 15.349 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.743 -5.001 13.490 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.961 -3.742 13.467 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.777 -6.467 16.563 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.473 -6.320 15.380 1.00 0.00 H new ATOM 841 N VAL A 53 1.073 -0.975 15.472 1.00 0.00 N ATOM 842 CA VAL A 53 1.607 0.270 16.012 1.00 0.00 C ATOM 843 C VAL A 53 0.952 0.617 17.344 1.00 0.00 C ATOM 844 O VAL A 53 0.063 -0.094 17.816 1.00 0.00 O ATOM 845 CB VAL A 53 1.403 1.440 15.032 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.695 1.747 14.290 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.280 1.127 14.055 1.00 0.00 C ATOM 0 H VAL A 53 0.055 -1.005 15.410 1.00 0.00 H new ATOM 0 HA VAL A 53 2.675 0.116 16.165 1.00 0.00 H new ATOM 0 HB VAL A 53 1.121 2.324 15.604 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.531 2.576 13.602 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.471 2.018 15.006 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.010 0.867 13.729 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.150 1.965 13.370 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.530 0.230 13.488 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.646 0.961 14.606 1.00 0.00 H new ATOM 857 N THR A 54 1.396 1.715 17.947 1.00 0.00 N ATOM 858 CA THR A 54 0.854 2.157 19.226 1.00 0.00 C ATOM 859 C THR A 54 0.319 3.581 19.134 1.00 0.00 C ATOM 860 O THR A 54 1.035 4.543 19.415 1.00 0.00 O ATOM 861 CB THR A 54 1.916 2.090 20.340 1.00 0.00 C ATOM 862 OG1 THR A 54 2.489 0.779 20.393 1.00 0.00 O ATOM 863 CG2 THR A 54 1.307 2.438 21.690 1.00 0.00 C ATOM 0 H THR A 54 2.130 2.315 17.570 1.00 0.00 H new ATOM 0 HA THR A 54 0.036 1.480 19.473 1.00 0.00 H new ATOM 0 HB THR A 54 2.695 2.817 20.112 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.164 0.746 21.103 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.076 2.384 22.461 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.898 3.448 21.655 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.510 1.732 21.922 1.00 0.00 H new ATOM 871 N ILE A 55 -0.943 3.710 18.739 1.00 0.00 N ATOM 872 CA ILE A 55 -1.573 5.018 18.612 1.00 0.00 C ATOM 873 C ILE A 55 -2.950 5.031 19.268 1.00 0.00 C ATOM 874 O ILE A 55 -3.456 3.993 19.694 1.00 0.00 O ATOM 875 CB ILE A 55 -1.717 5.433 17.135 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.722 4.660 16.267 1.00 0.00 C ATOM 877 CG2 ILE A 55 -1.509 6.932 16.983 1.00 0.00 C ATOM 878 CD1 ILE A 55 -1.246 3.323 15.792 1.00 0.00 C ATOM 0 H ILE A 55 -1.549 2.925 18.501 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.924 5.731 19.120 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.726 5.191 16.801 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.460 5.267 15.400 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.195 4.501 16.834 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.614 7.209 15.934 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.253 7.464 17.575 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.511 7.198 17.330 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.488 2.831 15.182 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.481 2.698 16.653 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.147 3.476 15.198 1.00 0.00 H new ATOM 890 N SER A 56 -3.551 6.214 19.345 1.00 0.00 N ATOM 891 CA SER A 56 -4.869 6.363 19.952 1.00 0.00 C ATOM 892 C SER A 56 -5.310 7.824 19.941 1.00 0.00 C ATOM 893 O SER A 56 -6.137 8.228 19.124 1.00 0.00 O ATOM 894 CB SER A 56 -4.856 5.833 21.387 1.00 0.00 C ATOM 895 OG SER A 56 -5.326 4.498 21.441 1.00 0.00 O ATOM 0 H SER A 56 -3.147 7.083 18.995 1.00 0.00 H new ATOM 0 HA SER A 56 -5.580 5.782 19.365 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.843 5.882 21.787 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.479 6.467 22.018 1.00 0.00 H new ATOM 0 HG SER A 56 -4.786 3.937 20.846 1.00 0.00 H new ATOM 901 N ASP A 57 -4.751 8.611 20.854 1.00 0.00 N ATOM 902 CA ASP A 57 -5.084 10.027 20.950 1.00 0.00 C ATOM 903 C ASP A 57 -4.422 10.819 19.827 1.00 0.00 C ATOM 904 O ASP A 57 -4.671 12.013 19.667 1.00 0.00 O ATOM 905 CB ASP A 57 -4.650 10.584 22.307 1.00 0.00 C ATOM 906 CG ASP A 57 -5.699 10.373 23.381 1.00 0.00 C ATOM 907 OD1 ASP A 57 -6.178 9.229 23.528 1.00 0.00 O ATOM 908 OD2 ASP A 57 -6.041 11.353 24.076 1.00 0.00 O ATOM 0 H ASP A 57 -4.065 8.292 21.538 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.165 10.128 20.853 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.720 10.105 22.613 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.443 11.650 22.210 1.00 0.00 H new ATOM 913 N GLN A 58 -3.578 10.145 19.052 1.00 0.00 N ATOM 914 CA GLN A 58 -2.879 10.786 17.945 1.00 0.00 C ATOM 915 C GLN A 58 -3.574 10.493 16.620 1.00 0.00 C ATOM 916 O GLN A 58 -3.833 11.400 15.829 1.00 0.00 O ATOM 917 CB GLN A 58 -1.426 10.313 17.889 1.00 0.00 C ATOM 918 CG GLN A 58 -0.431 11.336 18.413 1.00 0.00 C ATOM 919 CD GLN A 58 -0.526 11.527 19.914 1.00 0.00 C ATOM 920 OE1 GLN A 58 0.273 10.978 20.672 1.00 0.00 O ATOM 921 NE2 GLN A 58 -1.506 12.309 20.351 1.00 0.00 N ATOM 0 H GLN A 58 -3.362 9.155 19.171 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.896 11.863 18.112 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.329 9.395 18.468 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.172 10.067 16.858 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.580 11.020 18.154 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.603 12.291 17.917 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.146 12.744 19.687 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.619 12.475 21.351 1.00 0.00 H new ATOM 930 N ASP A 59 -3.872 9.220 16.383 1.00 0.00 N ATOM 931 CA ASP A 59 -4.538 8.806 15.153 1.00 0.00 C ATOM 932 C ASP A 59 -5.800 9.629 14.915 1.00 0.00 C ATOM 933 O ASP A 59 -6.155 9.923 13.774 1.00 0.00 O ATOM 934 CB ASP A 59 -4.887 7.319 15.213 1.00 0.00 C ATOM 935 CG ASP A 59 -6.074 7.038 16.113 1.00 0.00 C ATOM 936 OD1 ASP A 59 -7.211 7.368 15.715 1.00 0.00 O ATOM 937 OD2 ASP A 59 -5.867 6.490 17.216 1.00 0.00 O ATOM 0 H ASP A 59 -3.663 8.457 17.027 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.853 8.977 14.322 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.104 6.959 14.207 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.023 6.760 15.572 1.00 0.00 H new ATOM 942 N ALA A 60 -6.474 9.996 16.000 1.00 0.00 N ATOM 943 CA ALA A 60 -7.696 10.786 15.910 1.00 0.00 C ATOM 944 C ALA A 60 -7.425 12.147 15.277 1.00 0.00 C ATOM 945 O ALA A 60 -8.251 12.671 14.529 1.00 0.00 O ATOM 946 CB ALA A 60 -8.317 10.956 17.288 1.00 0.00 C ATOM 0 H ALA A 60 -6.194 9.759 16.952 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.399 10.251 15.271 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.229 11.548 17.206 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.556 9.977 17.703 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.612 11.465 17.945 1.00 0.00 H new ATOM 952 N LEU A 61 -6.264 12.715 15.583 1.00 0.00 N ATOM 953 CA LEU A 61 -5.884 14.017 15.045 1.00 0.00 C ATOM 954 C LEU A 61 -4.604 13.913 14.221 1.00 0.00 C ATOM 955 O LEU A 61 -3.795 14.841 14.190 1.00 0.00 O ATOM 956 CB LEU A 61 -5.693 15.024 16.180 1.00 0.00 C ATOM 957 CG LEU A 61 -4.748 14.598 17.304 1.00 0.00 C ATOM 958 CD1 LEU A 61 -3.449 15.386 17.236 1.00 0.00 C ATOM 959 CD2 LEU A 61 -5.415 14.780 18.659 1.00 0.00 C ATOM 0 H LEU A 61 -5.569 12.295 16.201 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.687 14.362 14.393 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.321 15.956 15.753 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.669 15.240 16.615 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.515 13.541 17.176 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.789 15.070 18.043 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.963 15.204 16.277 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.663 16.450 17.338 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.728 14.472 19.447 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.679 15.829 18.797 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.317 14.170 18.705 1.00 0.00 H new ATOM 971 N LYS A 62 -4.427 12.778 13.552 1.00 0.00 N ATOM 972 CA LYS A 62 -3.248 12.553 12.725 1.00 0.00 C ATOM 973 C LYS A 62 -3.646 12.192 11.297 1.00 0.00 C ATOM 974 O LYS A 62 -3.310 12.904 10.351 1.00 0.00 O ATOM 975 CB LYS A 62 -2.386 11.439 13.323 1.00 0.00 C ATOM 976 CG LYS A 62 -1.097 11.190 12.558 1.00 0.00 C ATOM 977 CD LYS A 62 0.120 11.334 13.455 1.00 0.00 C ATOM 978 CE LYS A 62 0.292 10.123 14.359 1.00 0.00 C ATOM 979 NZ LYS A 62 1.109 10.440 15.563 1.00 0.00 N ATOM 0 H LYS A 62 -5.086 12.000 13.567 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.670 13.477 12.700 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.143 11.693 14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.966 10.517 13.350 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.116 10.189 12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.024 11.893 11.728 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.012 11.461 12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.020 12.233 14.064 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.688 9.760 14.670 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.767 9.317 13.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.022 9.668 16.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.106 10.547 15.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.770 11.326 15.989 1.00 0.00 H new ATOM 993 N ILE A 63 -4.364 11.083 11.151 1.00 0.00 N ATOM 994 CA ILE A 63 -4.810 10.630 9.839 1.00 0.00 C ATOM 995 C ILE A 63 -5.867 11.567 9.264 1.00 0.00 C ATOM 996 O ILE A 63 -6.226 11.469 8.091 1.00 0.00 O ATOM 997 CB ILE A 63 -5.385 9.203 9.901 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.303 8.213 10.341 1.00 0.00 C ATOM 999 CG2 ILE A 63 -5.959 8.803 8.550 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.167 8.095 11.842 1.00 0.00 C ATOM 0 H ILE A 63 -4.649 10.482 11.924 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.934 10.632 9.190 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.190 9.183 10.635 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.530 7.231 9.927 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.346 8.523 9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.361 7.792 8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.755 9.494 8.274 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.172 8.836 7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.383 7.377 12.081 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.909 9.067 12.262 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.111 7.756 12.267 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.361 12.477 10.098 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.376 13.433 9.672 1.00 0.00 C ATOM 1014 C ASN A 64 -7.003 14.063 8.333 1.00 0.00 C ATOM 1015 O ASN A 64 -7.869 14.352 7.507 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.555 14.524 10.729 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.435 15.547 10.700 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -6.677 16.744 10.544 1.00 0.00 O ATOM 1019 ND2 ASN A 64 -5.202 15.078 10.849 1.00 0.00 N ATOM 0 H ASN A 64 -6.075 12.572 11.072 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.317 12.896 9.551 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.508 15.028 10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.599 14.065 11.717 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.408 15.718 10.837 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.049 14.078 10.976 1.00 0.00 H new ATOM 1026 N THR A 65 -5.707 14.272 8.125 1.00 0.00 N ATOM 1027 CA THR A 65 -5.218 14.868 6.887 1.00 0.00 C ATOM 1028 C THR A 65 -4.452 13.848 6.052 1.00 0.00 C ATOM 1029 O THR A 65 -3.561 13.163 6.554 1.00 0.00 O ATOM 1030 CB THR A 65 -4.304 16.075 7.168 1.00 0.00 C ATOM 1031 OG1 THR A 65 -2.995 15.625 7.531 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.876 16.939 8.282 1.00 0.00 C ATOM 0 H THR A 65 -4.977 14.038 8.797 1.00 0.00 H new ATOM 0 HA THR A 65 -6.093 15.206 6.331 1.00 0.00 H new ATOM 0 HB THR A 65 -4.242 16.675 6.260 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.420 16.399 7.706 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.213 17.785 8.463 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.860 17.305 7.990 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.965 16.347 9.193 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.804 13.754 4.773 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.148 12.819 3.867 1.00 0.00 C ATOM 1042 C VAL A 66 -2.631 12.941 3.955 1.00 0.00 C ATOM 1043 O VAL A 66 -1.909 11.960 3.779 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.586 13.050 2.409 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.754 12.201 1.460 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -6.068 12.750 2.245 1.00 0.00 C ATOM 0 H VAL A 66 -5.539 14.314 4.342 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.448 11.817 4.175 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.420 14.098 2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.078 12.378 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.702 12.469 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.885 11.147 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.361 12.918 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.261 11.711 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.646 13.405 2.896 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.155 14.151 4.230 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.723 14.401 4.342 1.00 0.00 C ATOM 1058 C GLN A 67 -0.163 13.794 5.624 1.00 0.00 C ATOM 1059 O GLN A 67 0.738 12.956 5.583 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.442 15.905 4.311 1.00 0.00 C ATOM 1061 CG GLN A 67 0.660 16.298 3.341 1.00 0.00 C ATOM 1062 CD GLN A 67 1.808 15.307 3.329 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.257 14.872 2.268 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.290 14.945 4.513 1.00 0.00 N ATOM 0 H GLN A 67 -2.740 14.973 4.379 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.230 13.929 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.357 16.432 4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.168 16.236 5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.243 16.378 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.039 17.284 3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.887 15.331 5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.063 14.281 4.568 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.701 14.223 6.760 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.255 13.721 8.055 1.00 0.00 C ATOM 1075 C ASP A 68 -0.493 12.218 8.166 1.00 0.00 C ATOM 1076 O ASP A 68 0.210 11.521 8.897 1.00 0.00 O ATOM 1077 CB ASP A 68 -0.982 14.450 9.186 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.422 14.103 10.552 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.610 13.403 10.610 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -1.016 14.533 11.562 1.00 0.00 O ATOM 0 H ASP A 68 -1.447 14.917 6.811 1.00 0.00 H new ATOM 0 HA ASP A 68 0.815 13.909 8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.907 15.526 9.028 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.042 14.197 9.156 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.489 11.726 7.437 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.819 10.307 7.453 1.00 0.00 C ATOM 1087 C ALA A 69 -0.695 9.475 6.845 1.00 0.00 C ATOM 1088 O ALA A 69 -0.157 8.575 7.491 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.123 10.059 6.709 1.00 0.00 C ATOM 0 H ALA A 69 -2.082 12.290 6.828 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.942 10.000 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.357 8.995 6.729 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.927 10.616 7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.020 10.388 5.675 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.344 9.782 5.601 1.00 0.00 N ATOM 1096 CA ILE A 70 0.717 9.062 4.907 1.00 0.00 C ATOM 1097 C ILE A 70 2.045 9.198 5.642 1.00 0.00 C ATOM 1098 O ILE A 70 2.895 8.309 5.580 1.00 0.00 O ATOM 1099 CB ILE A 70 0.888 9.568 3.462 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.189 11.069 3.457 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.359 9.270 2.644 1.00 0.00 C ATOM 1102 CD1 ILE A 70 1.480 11.621 2.079 1.00 0.00 C ATOM 0 H ILE A 70 -0.779 10.524 5.053 1.00 0.00 H new ATOM 0 HA ILE A 70 0.424 8.012 4.884 1.00 0.00 H new ATOM 0 HB ILE A 70 1.730 9.045 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.339 11.603 3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.044 11.262 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.222 9.634 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.533 8.194 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.217 9.768 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.684 12.689 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.348 11.113 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.617 11.459 1.433 1.00 0.00 H new ATOM 1114 N ASP A 71 2.217 10.315 6.340 1.00 0.00 N ATOM 1115 CA ASP A 71 3.442 10.567 7.091 1.00 0.00 C ATOM 1116 C ASP A 71 3.424 9.826 8.424 1.00 0.00 C ATOM 1117 O ASP A 71 4.472 9.563 9.014 1.00 0.00 O ATOM 1118 CB ASP A 71 3.620 12.067 7.330 1.00 0.00 C ATOM 1119 CG ASP A 71 5.019 12.545 6.997 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.975 11.766 7.199 1.00 0.00 O ATOM 1121 OD2 ASP A 71 5.160 13.697 6.536 1.00 0.00 O ATOM 0 H ASP A 71 1.524 11.061 6.402 1.00 0.00 H new ATOM 0 HA ASP A 71 4.282 10.199 6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.898 12.616 6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.400 12.294 8.373 1.00 0.00 H new ATOM 1126 N TYR A 72 2.227 9.492 8.894 1.00 0.00 N ATOM 1127 CA TYR A 72 2.072 8.784 10.159 1.00 0.00 C ATOM 1128 C TYR A 72 2.344 7.293 9.986 1.00 0.00 C ATOM 1129 O TYR A 72 2.857 6.635 10.891 1.00 0.00 O ATOM 1130 CB TYR A 72 0.663 8.996 10.716 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.043 7.710 11.083 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.297 7.012 12.235 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.048 7.192 10.276 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.344 5.836 12.573 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.696 6.018 10.607 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.340 5.343 11.757 1.00 0.00 C ATOM 1137 OH TYR A 72 -1.982 4.172 12.089 1.00 0.00 O ATOM 0 H TYR A 72 1.350 9.700 8.417 1.00 0.00 H new ATOM 0 HA TYR A 72 2.799 9.188 10.864 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.722 9.633 11.599 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.066 9.530 9.977 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.076 7.395 12.877 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.328 7.716 9.374 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.066 5.305 13.472 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.477 5.630 9.970 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.996 4.072 13.064 1.00 0.00 H new ATOM 1147 N ILE A 73 1.996 6.767 8.816 1.00 0.00 N ATOM 1148 CA ILE A 73 2.204 5.355 8.522 1.00 0.00 C ATOM 1149 C ILE A 73 3.625 5.099 8.031 1.00 0.00 C ATOM 1150 O ILE A 73 4.179 4.020 8.240 1.00 0.00 O ATOM 1151 CB ILE A 73 1.207 4.847 7.464 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.554 5.421 6.089 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.215 5.217 7.855 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.414 4.503 5.249 1.00 0.00 C ATOM 0 H ILE A 73 1.569 7.298 8.057 1.00 0.00 H new ATOM 0 HA ILE A 73 2.041 4.812 9.453 1.00 0.00 H new ATOM 0 HB ILE A 73 1.277 3.760 7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.631 5.634 5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.072 6.371 6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.908 4.851 7.097 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.457 4.765 8.817 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.301 6.301 7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.620 4.975 4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.353 4.309 5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.889 3.562 5.085 1.00 0.00 H new ATOM 1166 N GLU A 74 4.208 6.099 7.378 1.00 0.00 N ATOM 1167 CA GLU A 74 5.565 5.981 6.857 1.00 0.00 C ATOM 1168 C GLU A 74 6.593 6.198 7.964 1.00 0.00 C ATOM 1169 O GLU A 74 7.664 5.590 7.962 1.00 0.00 O ATOM 1170 CB GLU A 74 5.792 6.991 5.731 1.00 0.00 C ATOM 1171 CG GLU A 74 5.028 6.666 4.459 1.00 0.00 C ATOM 1172 CD GLU A 74 5.568 5.439 3.751 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.724 5.055 4.026 1.00 0.00 O ATOM 1174 OE2 GLU A 74 4.833 4.862 2.921 1.00 0.00 O ATOM 0 H GLU A 74 3.763 6.999 7.197 1.00 0.00 H new ATOM 0 HA GLU A 74 5.689 4.973 6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.498 7.982 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.857 7.036 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.977 6.508 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.074 7.520 3.784 1.00 0.00 H new ATOM 1181 N LYS A 75 6.261 7.070 8.910 1.00 0.00 N ATOM 1182 CA LYS A 75 7.152 7.369 10.024 1.00 0.00 C ATOM 1183 C LYS A 75 7.092 6.268 11.079 1.00 0.00 C ATOM 1184 O LYS A 75 8.103 5.927 11.691 1.00 0.00 O ATOM 1185 CB LYS A 75 6.783 8.714 10.654 1.00 0.00 C ATOM 1186 CG LYS A 75 5.548 8.653 11.537 1.00 0.00 C ATOM 1187 CD LYS A 75 5.026 10.043 11.861 1.00 0.00 C ATOM 1188 CE LYS A 75 5.884 10.730 12.912 1.00 0.00 C ATOM 1189 NZ LYS A 75 5.074 11.603 13.805 1.00 0.00 N ATOM 0 H LYS A 75 5.379 7.583 8.927 1.00 0.00 H new ATOM 0 HA LYS A 75 8.170 7.424 9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.625 9.072 11.246 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.617 9.444 9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.769 8.078 11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.786 8.128 12.462 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.008 10.647 10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.998 9.973 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.399 9.977 13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.652 11.327 12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.695 12.053 14.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.603 12.337 13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.357 11.030 14.294 1.00 0.00 H new ATOM 1203 N ASN A 76 5.901 5.716 11.284 1.00 0.00 N ATOM 1204 CA ASN A 76 5.710 4.653 12.264 1.00 0.00 C ATOM 1205 C ASN A 76 6.122 3.302 11.689 1.00 0.00 C ATOM 1206 O ASN A 76 7.187 2.777 12.012 1.00 0.00 O ATOM 1207 CB ASN A 76 4.249 4.604 12.715 1.00 0.00 C ATOM 1208 CG ASN A 76 3.901 5.726 13.674 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.777 6.463 14.128 1.00 0.00 O ATOM 1210 ND2 ASN A 76 2.618 5.860 13.987 1.00 0.00 N ATOM 0 H ASN A 76 5.054 5.987 10.785 1.00 0.00 H new ATOM 0 HA ASN A 76 6.342 4.869 13.125 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.600 4.662 11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.052 3.645 13.195 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.324 6.597 14.628 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.926 5.226 13.587 1.00 0.00 H new ATOM 1217 N ASN A 77 5.271 2.745 10.834 1.00 0.00 N ATOM 1218 CA ASN A 77 5.547 1.454 10.212 1.00 0.00 C ATOM 1219 C ASN A 77 6.240 1.636 8.865 1.00 0.00 C ATOM 1220 O ASN A 77 6.574 2.754 8.472 1.00 0.00 O ATOM 1221 CB ASN A 77 4.249 0.666 10.028 1.00 0.00 C ATOM 1222 CG ASN A 77 3.212 1.436 9.234 1.00 0.00 C ATOM 1223 OD1 ASN A 77 3.038 1.210 8.036 1.00 0.00 O ATOM 1224 ND2 ASN A 77 2.518 2.352 9.899 1.00 0.00 N ATOM 0 H ASN A 77 4.385 3.167 10.556 1.00 0.00 H new ATOM 0 HA ASN A 77 6.213 0.896 10.870 1.00 0.00 H new ATOM 0 HB2 ASN A 77 4.467 -0.274 9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.839 0.413 11.006 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.807 2.902 9.417 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.696 2.505 10.892 1.00 0.00 H new ATOM 1231 N LYS A 78 6.453 0.529 8.162 1.00 0.00 N ATOM 1232 CA LYS A 78 7.104 0.564 6.858 1.00 0.00 C ATOM 1233 C LYS A 78 7.213 -0.837 6.266 1.00 0.00 C ATOM 1234 O LYS A 78 7.112 -1.017 5.053 1.00 0.00 O ATOM 1235 CB LYS A 78 8.496 1.189 6.977 1.00 0.00 C ATOM 1236 CG LYS A 78 9.322 0.621 8.119 1.00 0.00 C ATOM 1237 CD LYS A 78 10.760 1.109 8.063 1.00 0.00 C ATOM 1238 CE LYS A 78 11.498 0.817 9.361 1.00 0.00 C ATOM 1239 NZ LYS A 78 12.187 2.026 9.891 1.00 0.00 N ATOM 0 H LYS A 78 6.184 -0.404 8.474 1.00 0.00 H new ATOM 0 HA LYS A 78 6.494 1.174 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.034 1.039 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.391 2.265 7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.876 0.909 9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.304 -0.468 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.277 0.627 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.774 2.181 7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.792 0.446 10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.229 0.026 9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.678 1.786 10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.879 2.366 9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.486 2.772 10.076 1.00 0.00 H new ATOM 1253 N GLN A 79 7.418 -1.826 7.130 1.00 0.00 N ATOM 1254 CA GLN A 79 7.539 -3.211 6.692 1.00 0.00 C ATOM 1255 C GLN A 79 6.325 -3.630 5.869 1.00 0.00 C ATOM 1256 O GLN A 79 5.859 -4.766 5.965 1.00 0.00 O ATOM 1257 CB GLN A 79 7.697 -4.138 7.898 1.00 0.00 C ATOM 1258 CG GLN A 79 6.504 -4.120 8.840 1.00 0.00 C ATOM 1259 CD GLN A 79 6.912 -4.184 10.299 1.00 0.00 C ATOM 1260 OE1 GLN A 79 6.578 -5.134 11.008 1.00 0.00 O ATOM 1261 NE2 GLN A 79 7.638 -3.170 10.756 1.00 0.00 N ATOM 0 H GLN A 79 7.504 -1.693 8.138 1.00 0.00 H new ATOM 0 HA GLN A 79 8.426 -3.290 6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.855 -5.157 7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.591 -3.851 8.452 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.924 -3.213 8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.852 -4.963 8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.892 -2.403 10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 79 7.941 -3.158 11.730 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 -18.499 10.667 19.389 1.00 0.00 P HETATM 1272 O25 PNS A 137 -19.106 9.602 20.439 1.00 0.00 O HETATM 1273 O26 PNS A 137 -17.646 11.686 20.037 1.00 0.00 O HETATM 1274 O27 PNS A 137 -19.770 11.281 18.612 1.00 0.00 O HETATM 1275 C28 PNS A 137 -19.744 12.587 18.027 1.00 0.00 C HETATM 1276 C29 PNS A 137 -20.940 12.875 17.096 1.00 0.00 C HETATM 1277 C30 PNS A 137 -22.247 12.583 17.858 1.00 0.00 C HETATM 1278 C31 PNS A 137 -20.830 11.926 15.885 1.00 0.00 C HETATM 1279 C32 PNS A 137 -20.832 14.353 16.649 1.00 0.00 C HETATM 1280 O33 PNS A 137 -20.958 15.239 17.767 1.00 0.00 O HETATM 1281 C34 PNS A 137 -21.856 14.818 15.582 1.00 0.00 C HETATM 1282 O35 PNS A 137 -22.943 14.253 15.433 1.00 0.00 O HETATM 1283 N36 PNS A 137 -21.554 15.873 14.813 1.00 0.00 N HETATM 1284 C37 PNS A 137 -20.326 16.688 14.887 1.00 0.00 C HETATM 1285 C38 PNS A 137 -20.547 17.987 14.107 1.00 0.00 C HETATM 1286 C39 PNS A 137 -19.407 18.997 14.358 1.00 0.00 C HETATM 1287 O40 PNS A 137 -19.331 19.539 15.461 1.00 0.00 O HETATM 1288 N41 PNS A 137 -18.527 19.255 13.381 1.00 0.00 N HETATM 1289 C42 PNS A 137 -18.508 18.689 12.016 1.00 0.00 C HETATM 1290 C43 PNS A 137 -17.292 19.211 11.251 1.00 0.00 C HETATM 1291 S44 PNS A 137 -17.302 21.027 11.002 1.00 0.00 S HETATM 0 H432 PNS A 137 -16.387 18.932 11.791 1.00 0.00 H new HETATM 0 H431 PNS A 137 -17.247 18.720 10.279 1.00 0.00 H new HETATM 0 H422 PNS A 137 -19.423 18.959 11.489 1.00 0.00 H new HETATM 0 H421 PNS A 137 -18.477 17.601 12.065 1.00 0.00 H new HETATM 0 H382 PNS A 137 -21.499 18.431 14.399 1.00 0.00 H new HETATM 0 H381 PNS A 137 -20.611 17.767 13.041 1.00 0.00 H new HETATM 0 H372 PNS A 137 -19.482 16.137 14.471 1.00 0.00 H new HETATM 0 H371 PNS A 137 -20.082 16.909 15.926 1.00 0.00 H new HETATM 0 H313 PNS A 137 -21.663 12.105 15.206 1.00 0.00 H new HETATM 0 H312 PNS A 137 -20.858 10.892 16.229 1.00 0.00 H new HETATM 0 H311 PNS A 137 -19.891 12.109 15.363 1.00 0.00 H new HETATM 0 H303 PNS A 137 -23.099 12.783 17.209 1.00 0.00 H new HETATM 0 H302 PNS A 137 -22.305 13.221 18.740 1.00 0.00 H new HETATM 0 H301 PNS A 137 -22.263 11.537 18.165 1.00 0.00 H new HETATM 0 H282 PNS A 137 -18.819 12.704 17.462 1.00 0.00 H new HETATM 0 H281 PNS A 137 -19.727 13.331 18.823 1.00 0.00 H new HETATM 0 H44 PNS A 137 -16.148 21.408 10.541 1.00 0.00 H new HETATM 0 H41 PNS A 137 -17.785 19.918 13.605 1.00 0.00 H new HETATM 0 H36 PNS A 137 -22.240 16.139 14.107 1.00 0.00 H new HETATM 0 H33 PNS A 137 -21.866 15.608 17.791 1.00 0.00 H new HETATM 0 H32 PNS A 137 -19.845 14.397 16.189 1.00 0.00 H new