USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=22 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 Set 1.1: A 1 LEU N :NH3+ -124:sc= 0.04 (180deg=-0.788) USER MOD Set 1.2: A 2 LYS NZ :NH3+ 167:sc= -0.749 (180deg=-1.14) USER MOD Single : A 3 SER OG : rot -170:sc= -1.17 USER MOD Single : A 4 THR OG1 : rot 136:sc= -2.28 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 96:sc= 1.2 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -1.42 F(o=-2.4,f=-1.4) USER MOD Single : A 17 SER OG : rot 46:sc= 0.671 USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00366) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.01! C(o=-4.2!,f=-1!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.213 F(o=-1,f=-0.21) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.85! C(o=-3.8!,f=-9.9!) USER MOD Single : A 30 THR OG1 : rot -24:sc= 0.867 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -150:sc= 0 (180deg=-0.00981) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.022) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 51:sc= 0.765 USER MOD Single : A 58 GLN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -5.72! C(o=-6.9!,f=-5.7!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 67 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.41) USER MOD Single : A 72 TYR OH : rot 15:sc= -2.72! USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0667) USER MOD Single : A 76 ASN : amide:sc= -0.731 K(o=-0.73,f=-2.8!) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.08 F(o=-1.7,f=-1.1) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0566 X(o=-0.057,f=0) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0257 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -4.831 7.711 -3.639 1.00 0.00 N ATOM 2 CA LEU A 1 -3.946 6.553 -3.713 1.00 0.00 C ATOM 3 C LEU A 1 -2.488 6.971 -3.551 1.00 0.00 C ATOM 4 O LEU A 1 -1.735 7.027 -4.524 1.00 0.00 O ATOM 5 CB LEU A 1 -4.135 5.827 -5.046 1.00 0.00 C ATOM 6 CG LEU A 1 -5.549 5.325 -5.342 1.00 0.00 C ATOM 7 CD1 LEU A 1 -5.839 5.396 -6.834 1.00 0.00 C ATOM 8 CD2 LEU A 1 -5.728 3.903 -4.829 1.00 0.00 C ATOM 0 H1 LEU A 1 -5.537 7.561 -2.890 1.00 0.00 H new ATOM 0 H2 LEU A 1 -4.273 8.562 -3.424 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.315 7.837 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 1 -4.204 5.877 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -3.834 6.500 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -3.456 4.975 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 1 -6.259 5.969 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.849 5.035 -7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.752 6.428 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -5.123 4.776 -7.374 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -6.740 3.562 -5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -5.009 3.246 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -5.563 3.881 -3.752 1.00 0.00 H new ATOM 20 N LYS A 2 -2.095 7.261 -2.316 1.00 0.00 N ATOM 21 CA LYS A 2 -0.726 7.670 -2.024 1.00 0.00 C ATOM 22 C LYS A 2 -0.065 6.701 -1.049 1.00 0.00 C ATOM 23 O LYS A 2 1.103 6.346 -1.209 1.00 0.00 O ATOM 24 CB LYS A 2 -0.708 9.086 -1.443 1.00 0.00 C ATOM 25 CG LYS A 2 -1.873 9.376 -0.512 1.00 0.00 C ATOM 26 CD LYS A 2 -2.971 10.154 -1.218 1.00 0.00 C ATOM 27 CE LYS A 2 -4.207 10.292 -0.342 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.422 9.749 -1.010 1.00 0.00 N ATOM 0 H LYS A 2 -2.706 7.220 -1.500 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.163 7.659 -2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.226 9.235 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.720 9.806 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.278 8.438 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.519 9.944 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.602 11.144 -1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.236 9.649 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.045 9.768 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.365 11.343 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.189 9.657 -0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.719 10.395 -1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.208 8.815 -1.414 1.00 0.00 H new ATOM 42 N SER A 3 -0.819 6.276 -0.041 1.00 0.00 N ATOM 43 CA SER A 3 -0.305 5.349 0.961 1.00 0.00 C ATOM 44 C SER A 3 -1.369 5.035 2.008 1.00 0.00 C ATOM 45 O SER A 3 -1.964 3.957 2.002 1.00 0.00 O ATOM 46 CB SER A 3 0.936 5.935 1.639 1.00 0.00 C ATOM 47 OG SER A 3 0.998 7.339 1.463 1.00 0.00 O ATOM 0 H SER A 3 -1.788 6.559 0.104 1.00 0.00 H new ATOM 0 HA SER A 3 -0.032 4.422 0.456 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.918 5.699 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.833 5.474 1.225 1.00 0.00 H new ATOM 0 HG SER A 3 1.871 7.668 1.764 1.00 0.00 H new ATOM 53 N THR A 4 -1.604 5.985 2.907 1.00 0.00 N ATOM 54 CA THR A 4 -2.595 5.811 3.962 1.00 0.00 C ATOM 55 C THR A 4 -3.963 5.473 3.380 1.00 0.00 C ATOM 56 O THR A 4 -4.709 4.673 3.946 1.00 0.00 O ATOM 57 CB THR A 4 -2.719 7.076 4.831 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.734 8.039 4.439 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.546 6.739 6.305 1.00 0.00 C ATOM 0 H THR A 4 -1.121 6.883 2.926 1.00 0.00 H new ATOM 0 HA THR A 4 -2.252 4.984 4.584 1.00 0.00 H new ATOM 0 HB THR A 4 -3.715 7.494 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.146 8.927 4.390 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.638 7.648 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.315 6.028 6.608 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.562 6.299 6.465 1.00 0.00 H new ATOM 67 N PHE A 5 -4.287 6.085 2.246 1.00 0.00 N ATOM 68 CA PHE A 5 -5.566 5.849 1.587 1.00 0.00 C ATOM 69 C PHE A 5 -5.848 4.354 1.467 1.00 0.00 C ATOM 70 O PHE A 5 -6.989 3.913 1.611 1.00 0.00 O ATOM 71 CB PHE A 5 -5.577 6.494 0.200 1.00 0.00 C ATOM 72 CG PHE A 5 -6.922 6.460 -0.467 1.00 0.00 C ATOM 73 CD1 PHE A 5 -8.079 6.674 0.266 1.00 0.00 C ATOM 74 CD2 PHE A 5 -7.031 6.215 -1.826 1.00 0.00 C ATOM 75 CE1 PHE A 5 -9.318 6.642 -0.345 1.00 0.00 C ATOM 76 CE2 PHE A 5 -8.267 6.182 -2.443 1.00 0.00 C ATOM 77 CZ PHE A 5 -9.412 6.397 -1.701 1.00 0.00 C ATOM 0 H PHE A 5 -3.681 6.749 1.764 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.349 6.301 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.250 7.530 0.287 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.853 5.984 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.011 6.868 1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.139 6.048 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.212 6.808 0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.338 5.989 -3.503 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.379 6.374 -2.180 1.00 0.00 H new ATOM 87 N ASP A 6 -4.801 3.580 1.203 1.00 0.00 N ATOM 88 CA ASP A 6 -4.935 2.135 1.064 1.00 0.00 C ATOM 89 C ASP A 6 -5.562 1.524 2.314 1.00 0.00 C ATOM 90 O ASP A 6 -6.747 1.190 2.326 1.00 0.00 O ATOM 91 CB ASP A 6 -3.570 1.498 0.800 1.00 0.00 C ATOM 92 CG ASP A 6 -3.614 -0.016 0.868 1.00 0.00 C ATOM 93 OD1 ASP A 6 -4.695 -0.590 0.618 1.00 0.00 O ATOM 94 OD2 ASP A 6 -2.568 -0.627 1.170 1.00 0.00 O ATOM 0 H ASP A 6 -3.850 3.929 1.081 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.591 1.936 0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.214 1.804 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.851 1.871 1.530 1.00 0.00 H new ATOM 99 N ASP A 7 -4.759 1.380 3.362 1.00 0.00 N ATOM 100 CA ASP A 7 -5.234 0.810 4.617 1.00 0.00 C ATOM 101 C ASP A 7 -6.522 1.491 5.070 1.00 0.00 C ATOM 102 O ASP A 7 -7.384 0.864 5.685 1.00 0.00 O ATOM 103 CB ASP A 7 -4.163 0.943 5.701 1.00 0.00 C ATOM 104 CG ASP A 7 -4.486 0.126 6.937 1.00 0.00 C ATOM 105 OD1 ASP A 7 -5.014 -0.996 6.786 1.00 0.00 O ATOM 106 OD2 ASP A 7 -4.209 0.608 8.055 1.00 0.00 O ATOM 0 H ASP A 7 -3.775 1.650 3.367 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.442 -0.247 4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.202 0.624 5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.060 1.992 5.979 1.00 0.00 H new ATOM 111 N ILE A 8 -6.643 2.779 4.764 1.00 0.00 N ATOM 112 CA ILE A 8 -7.825 3.545 5.140 1.00 0.00 C ATOM 113 C ILE A 8 -9.060 3.050 4.396 1.00 0.00 C ATOM 114 O ILE A 8 -10.151 2.972 4.962 1.00 0.00 O ATOM 115 CB ILE A 8 -7.636 5.047 4.857 1.00 0.00 C ATOM 116 CG1 ILE A 8 -7.053 5.750 6.085 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.959 5.681 4.455 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.939 6.719 5.754 1.00 0.00 C ATOM 0 H ILE A 8 -5.937 3.313 4.257 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.967 3.401 6.211 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.935 5.161 4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.850 6.287 6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.676 4.999 6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.809 6.743 4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.337 5.195 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.681 5.560 5.263 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.574 7.180 6.671 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.124 6.184 5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.316 7.492 5.084 1.00 0.00 H new ATOM 130 N LYS A 9 -8.882 2.715 3.122 1.00 0.00 N ATOM 131 CA LYS A 9 -9.981 2.225 2.299 1.00 0.00 C ATOM 132 C LYS A 9 -10.477 0.873 2.802 1.00 0.00 C ATOM 133 O LYS A 9 -11.639 0.516 2.611 1.00 0.00 O ATOM 134 CB LYS A 9 -9.538 2.106 0.839 1.00 0.00 C ATOM 135 CG LYS A 9 -9.087 0.709 0.451 1.00 0.00 C ATOM 136 CD LYS A 9 -8.195 0.732 -0.778 1.00 0.00 C ATOM 137 CE LYS A 9 -8.398 -0.507 -1.638 1.00 0.00 C ATOM 138 NZ LYS A 9 -8.809 -0.158 -3.026 1.00 0.00 N ATOM 0 H LYS A 9 -7.986 2.774 2.637 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.800 2.941 2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.363 2.405 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.722 2.805 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.549 0.255 1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.959 0.085 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.408 1.624 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.151 0.795 -0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.474 -1.084 -1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.157 -1.144 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.937 -1.029 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.704 0.371 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.073 0.429 -3.469 1.00 0.00 H new ATOM 152 N LYS A 10 -9.588 0.125 3.447 1.00 0.00 N ATOM 153 CA LYS A 10 -9.935 -1.187 3.981 1.00 0.00 C ATOM 154 C LYS A 10 -10.741 -1.055 5.269 1.00 0.00 C ATOM 155 O LYS A 10 -11.812 -1.646 5.405 1.00 0.00 O ATOM 156 CB LYS A 10 -8.668 -2.006 4.241 1.00 0.00 C ATOM 157 CG LYS A 10 -7.588 -1.806 3.191 1.00 0.00 C ATOM 158 CD LYS A 10 -6.439 -2.781 3.382 1.00 0.00 C ATOM 159 CE LYS A 10 -6.850 -4.203 3.033 1.00 0.00 C ATOM 160 NZ LYS A 10 -5.767 -4.935 2.320 1.00 0.00 N ATOM 0 H LYS A 10 -8.621 0.405 3.613 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.548 -1.702 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.267 -1.738 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.931 -3.063 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.016 -1.937 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.212 -0.784 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.598 -2.481 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.097 -2.744 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.111 -4.740 3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.744 -4.180 2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.087 -5.900 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.535 -4.437 1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.922 -4.980 2.925 1.00 0.00 H new ATOM 174 N ILE A 11 -10.219 -0.275 6.210 1.00 0.00 N ATOM 175 CA ILE A 11 -10.892 -0.064 7.486 1.00 0.00 C ATOM 176 C ILE A 11 -12.267 0.565 7.284 1.00 0.00 C ATOM 177 O ILE A 11 -13.238 0.179 7.936 1.00 0.00 O ATOM 178 CB ILE A 11 -10.060 0.836 8.419 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.707 2.148 7.716 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.799 0.112 8.866 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.774 3.030 8.516 1.00 0.00 C ATOM 0 H ILE A 11 -9.333 0.221 6.113 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.008 -1.044 7.948 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.655 1.068 9.302 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.246 1.923 6.754 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.625 2.698 7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.221 0.760 9.525 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.072 -0.798 9.401 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.199 -0.146 7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.567 3.942 7.957 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.241 3.286 9.467 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.841 2.498 8.701 1.00 0.00 H new ATOM 193 N ILE A 12 -12.341 1.533 6.377 1.00 0.00 N ATOM 194 CA ILE A 12 -13.598 2.213 6.088 1.00 0.00 C ATOM 195 C ILE A 12 -14.534 1.318 5.283 1.00 0.00 C ATOM 196 O ILE A 12 -15.756 1.448 5.363 1.00 0.00 O ATOM 197 CB ILE A 12 -13.364 3.522 5.312 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.806 3.222 3.919 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.419 4.433 6.082 1.00 0.00 C ATOM 200 CD1 ILE A 12 -13.820 3.399 2.811 1.00 0.00 C ATOM 0 H ILE A 12 -11.546 1.864 5.830 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.059 2.447 7.048 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.319 4.035 5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.955 3.876 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.433 2.198 3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.264 5.354 5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.853 4.669 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.463 3.929 6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.355 3.169 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.661 2.726 2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -14.176 4.429 2.804 1.00 0.00 H new ATOM 212 N SER A 13 -13.953 0.408 4.508 1.00 0.00 N ATOM 213 CA SER A 13 -14.735 -0.508 3.686 1.00 0.00 C ATOM 214 C SER A 13 -15.530 -1.476 4.557 1.00 0.00 C ATOM 215 O SER A 13 -16.652 -1.855 4.221 1.00 0.00 O ATOM 216 CB SER A 13 -13.819 -1.288 2.741 1.00 0.00 C ATOM 217 OG SER A 13 -13.697 -0.632 1.491 1.00 0.00 O ATOM 0 H SER A 13 -12.943 0.285 4.432 1.00 0.00 H new ATOM 0 HA SER A 13 -15.436 0.082 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.834 -1.399 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.216 -2.292 2.591 1.00 0.00 H new ATOM 0 HG SER A 13 -12.884 -0.085 1.486 1.00 0.00 H new ATOM 223 N LYS A 14 -14.939 -1.873 5.679 1.00 0.00 N ATOM 224 CA LYS A 14 -15.590 -2.796 6.601 1.00 0.00 C ATOM 225 C LYS A 14 -16.298 -2.038 7.720 1.00 0.00 C ATOM 226 O LYS A 14 -17.254 -2.539 8.312 1.00 0.00 O ATOM 227 CB LYS A 14 -14.564 -3.763 7.196 1.00 0.00 C ATOM 228 CG LYS A 14 -15.155 -4.731 8.207 1.00 0.00 C ATOM 229 CD LYS A 14 -14.664 -4.436 9.614 1.00 0.00 C ATOM 230 CE LYS A 14 -15.541 -5.105 10.662 1.00 0.00 C ATOM 231 NZ LYS A 14 -15.065 -4.825 12.045 1.00 0.00 N ATOM 0 H LYS A 14 -14.010 -1.570 5.972 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.334 -3.364 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.102 -4.331 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.771 -3.189 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.243 -4.668 8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.888 -5.752 7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.637 -4.783 9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.655 -3.359 9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.568 -4.755 10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.552 -6.182 10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.689 -5.298 12.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.094 -5.182 12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.079 -3.799 12.216 1.00 0.00 H new ATOM 245 N GLN A 15 -15.824 -0.829 8.002 1.00 0.00 N ATOM 246 CA GLN A 15 -16.413 -0.003 9.049 1.00 0.00 C ATOM 247 C GLN A 15 -17.784 0.516 8.626 1.00 0.00 C ATOM 248 O GLN A 15 -18.812 0.083 9.148 1.00 0.00 O ATOM 249 CB GLN A 15 -15.491 1.170 9.382 1.00 0.00 C ATOM 250 CG GLN A 15 -16.136 2.217 10.276 1.00 0.00 C ATOM 251 CD GLN A 15 -16.988 1.606 11.370 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.450 0.598 12.047 1.00 0.00 O flip ATOM 253 NE2 GLN A 15 -18.119 2.034 11.605 1.00 0.00 N flip ATOM 0 H GLN A 15 -15.034 -0.400 7.520 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.537 -0.621 9.938 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.595 0.789 9.871 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.171 1.644 8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.358 2.832 10.728 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.753 2.879 9.668 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.494 2.811 11.060 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.681 1.612 12.344 1.00 0.00 H new ATOM 262 N LEU A 16 -17.791 1.446 7.678 1.00 0.00 N ATOM 263 CA LEU A 16 -19.036 2.026 7.185 1.00 0.00 C ATOM 264 C LEU A 16 -19.569 1.237 5.993 1.00 0.00 C ATOM 265 O LEU A 16 -20.537 0.486 6.116 1.00 0.00 O ATOM 266 CB LEU A 16 -18.819 3.487 6.787 1.00 0.00 C ATOM 267 CG LEU A 16 -18.380 4.429 7.909 1.00 0.00 C ATOM 268 CD1 LEU A 16 -16.884 4.690 7.832 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.155 5.737 7.841 1.00 0.00 C ATOM 0 H LEU A 16 -16.949 1.815 7.235 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.772 1.980 7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.069 3.520 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.747 3.869 6.361 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.596 3.951 8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.590 5.362 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.345 3.748 7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.643 5.147 6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.830 6.395 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.970 6.220 6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.221 5.534 7.946 1.00 0.00 H new ATOM 281 N SER A 17 -18.929 1.411 4.841 1.00 0.00 N ATOM 282 CA SER A 17 -19.340 0.716 3.626 1.00 0.00 C ATOM 283 C SER A 17 -18.299 0.888 2.524 1.00 0.00 C ATOM 284 O SER A 17 -17.532 -0.028 2.230 1.00 0.00 O ATOM 285 CB SER A 17 -20.696 1.238 3.149 1.00 0.00 C ATOM 286 OG SER A 17 -21.749 0.395 3.584 1.00 0.00 O ATOM 0 H SER A 17 -18.124 2.027 4.723 1.00 0.00 H new ATOM 0 HA SER A 17 -19.428 -0.346 3.856 1.00 0.00 H new ATOM 0 HB2 SER A 17 -20.854 2.248 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.703 1.301 2.061 1.00 0.00 H new ATOM 0 HG SER A 17 -21.626 0.181 4.533 1.00 0.00 H new ATOM 292 N VAL A 18 -18.280 2.070 1.916 1.00 0.00 N ATOM 293 CA VAL A 18 -17.334 2.365 0.847 1.00 0.00 C ATOM 294 C VAL A 18 -17.362 3.844 0.480 1.00 0.00 C ATOM 295 O VAL A 18 -17.962 4.234 -0.521 1.00 0.00 O ATOM 296 CB VAL A 18 -17.632 1.529 -0.412 1.00 0.00 C ATOM 297 CG1 VAL A 18 -16.736 0.301 -0.462 1.00 0.00 C ATOM 298 CG2 VAL A 18 -19.099 1.131 -0.452 1.00 0.00 C ATOM 0 H VAL A 18 -18.909 2.839 2.146 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.343 2.106 1.221 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.421 2.139 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -16.961 -0.277 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.692 0.613 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.912 -0.314 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.292 0.541 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.340 0.539 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.719 2.027 -0.468 1.00 0.00 H new ATOM 308 N GLU A 19 -16.708 4.664 1.297 1.00 0.00 N ATOM 309 CA GLU A 19 -16.660 6.102 1.058 1.00 0.00 C ATOM 310 C GLU A 19 -15.228 6.561 0.798 1.00 0.00 C ATOM 311 O GLU A 19 -14.843 7.667 1.176 1.00 0.00 O ATOM 312 CB GLU A 19 -17.242 6.860 2.253 1.00 0.00 C ATOM 313 CG GLU A 19 -16.578 6.514 3.575 1.00 0.00 C ATOM 314 CD GLU A 19 -17.581 6.185 4.663 1.00 0.00 C ATOM 315 OE1 GLU A 19 -18.341 5.209 4.492 1.00 0.00 O ATOM 316 OE2 GLU A 19 -17.607 6.902 5.685 1.00 0.00 O ATOM 0 H GLU A 19 -16.205 4.357 2.129 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.259 6.319 0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.144 7.931 2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.308 6.645 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.912 5.663 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.960 7.352 3.897 1.00 0.00 H new ATOM 323 N GLU A 20 -14.445 5.704 0.151 1.00 0.00 N ATOM 324 CA GLU A 20 -13.056 6.022 -0.158 1.00 0.00 C ATOM 325 C GLU A 20 -12.971 7.131 -1.203 1.00 0.00 C ATOM 326 O GLU A 20 -11.949 7.807 -1.324 1.00 0.00 O ATOM 327 CB GLU A 20 -12.325 4.776 -0.662 1.00 0.00 C ATOM 328 CG GLU A 20 -12.668 4.405 -2.095 1.00 0.00 C ATOM 329 CD GLU A 20 -12.108 3.055 -2.499 1.00 0.00 C ATOM 330 OE1 GLU A 20 -12.231 2.100 -1.705 1.00 0.00 O ATOM 331 OE2 GLU A 20 -11.547 2.955 -3.610 1.00 0.00 O ATOM 0 H GLU A 20 -14.749 4.784 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.578 6.371 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.250 4.940 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.566 3.936 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.751 4.395 -2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.280 5.171 -2.767 1.00 0.00 H new ATOM 338 N ASP A 21 -14.052 7.312 -1.954 1.00 0.00 N ATOM 339 CA ASP A 21 -14.100 8.339 -2.988 1.00 0.00 C ATOM 340 C ASP A 21 -14.823 9.584 -2.483 1.00 0.00 C ATOM 341 O ASP A 21 -15.653 10.162 -3.186 1.00 0.00 O ATOM 342 CB ASP A 21 -14.798 7.801 -4.239 1.00 0.00 C ATOM 343 CG ASP A 21 -14.611 8.707 -5.440 1.00 0.00 C ATOM 344 OD1 ASP A 21 -13.447 9.003 -5.785 1.00 0.00 O ATOM 345 OD2 ASP A 21 -15.628 9.119 -6.036 1.00 0.00 O ATOM 0 H ASP A 21 -14.906 6.761 -1.866 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.076 8.613 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.409 6.810 -4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.863 7.686 -4.036 1.00 0.00 H new ATOM 350 N LYS A 22 -14.503 9.993 -1.260 1.00 0.00 N ATOM 351 CA LYS A 22 -15.121 11.169 -0.660 1.00 0.00 C ATOM 352 C LYS A 22 -14.584 11.407 0.748 1.00 0.00 C ATOM 353 O LYS A 22 -14.470 12.550 1.194 1.00 0.00 O ATOM 354 CB LYS A 22 -16.642 11.006 -0.616 1.00 0.00 C ATOM 355 CG LYS A 22 -17.093 9.572 -0.399 1.00 0.00 C ATOM 356 CD LYS A 22 -18.351 9.506 0.451 1.00 0.00 C ATOM 357 CE LYS A 22 -19.547 10.099 -0.277 1.00 0.00 C ATOM 358 NZ LYS A 22 -20.070 9.180 -1.325 1.00 0.00 N ATOM 0 H LYS A 22 -13.819 9.527 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.872 12.033 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.043 11.629 0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.066 11.374 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.279 9.098 -1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.296 9.008 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.561 8.469 0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.189 10.044 1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.337 10.318 0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.261 11.046 -0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.905 9.606 -1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.335 9.018 -2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.336 8.273 -0.890 1.00 0.00 H new ATOM 372 N ILE A 23 -14.254 10.323 1.441 1.00 0.00 N ATOM 373 CA ILE A 23 -13.726 10.415 2.797 1.00 0.00 C ATOM 374 C ILE A 23 -12.394 11.156 2.819 1.00 0.00 C ATOM 375 O ILE A 23 -11.952 11.627 3.867 1.00 0.00 O ATOM 376 CB ILE A 23 -13.537 9.021 3.423 1.00 0.00 C ATOM 377 CG1 ILE A 23 -13.300 9.143 4.930 1.00 0.00 C ATOM 378 CG2 ILE A 23 -12.378 8.294 2.757 1.00 0.00 C ATOM 379 CD1 ILE A 23 -13.086 7.812 5.618 1.00 0.00 C ATOM 0 H ILE A 23 -14.343 9.371 1.086 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.457 10.971 3.384 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.445 8.440 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.430 9.776 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.154 9.645 5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.257 7.310 3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.583 8.180 1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.462 8.870 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.924 7.975 6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.965 7.184 5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.214 7.317 5.190 1.00 0.00 H new ATOM 391 N GLN A 24 -11.759 11.256 1.656 1.00 0.00 N ATOM 392 CA GLN A 24 -10.477 11.940 1.542 1.00 0.00 C ATOM 393 C GLN A 24 -10.669 13.384 1.090 1.00 0.00 C ATOM 394 O GLN A 24 -10.867 13.653 -0.095 1.00 0.00 O ATOM 395 CB GLN A 24 -9.566 11.202 0.559 1.00 0.00 C ATOM 396 CG GLN A 24 -8.353 10.564 1.215 1.00 0.00 C ATOM 397 CD GLN A 24 -8.698 9.843 2.503 1.00 0.00 C ATOM 398 OE1 GLN A 24 -9.365 8.701 2.383 1.00 0.00 O flip ATOM 399 NE2 GLN A 24 -8.369 10.308 3.595 1.00 0.00 N flip ATOM 0 H GLN A 24 -12.112 10.872 0.779 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.008 11.946 2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.143 10.429 0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.229 11.901 -0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.897 9.859 0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.610 11.334 1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.857 11.189 3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.609 9.812 4.454 1.00 0.00 H new ATOM 408 N MET A 25 -10.609 14.310 2.042 1.00 0.00 N ATOM 409 CA MET A 25 -10.776 15.727 1.740 1.00 0.00 C ATOM 410 C MET A 25 -9.537 16.519 2.147 1.00 0.00 C ATOM 411 O MET A 25 -9.494 17.739 2.001 1.00 0.00 O ATOM 412 CB MET A 25 -12.008 16.281 2.458 1.00 0.00 C ATOM 413 CG MET A 25 -13.322 15.876 1.810 1.00 0.00 C ATOM 414 SD MET A 25 -14.173 17.265 1.038 1.00 0.00 S ATOM 415 CE MET A 25 -15.868 16.688 1.077 1.00 0.00 C ATOM 0 H MET A 25 -10.446 14.105 3.028 1.00 0.00 H new ATOM 0 HA MET A 25 -10.914 15.830 0.664 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.001 15.937 3.492 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.945 17.369 2.484 1.00 0.00 H new ATOM 0 HG2 MET A 25 -13.131 15.109 1.059 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.972 15.430 2.563 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.519 17.441 0.632 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.949 15.759 0.513 1.00 0.00 H new ATOM 0 HE3 MET A 25 -16.169 16.512 2.110 1.00 0.00 H new ATOM 425 N ASN A 26 -8.532 15.815 2.658 1.00 0.00 N ATOM 426 CA ASN A 26 -7.292 16.453 3.086 1.00 0.00 C ATOM 427 C ASN A 26 -7.481 17.165 4.423 1.00 0.00 C ATOM 428 O ASN A 26 -6.756 16.907 5.383 1.00 0.00 O ATOM 429 CB ASN A 26 -6.814 17.449 2.028 1.00 0.00 C ATOM 430 CG ASN A 26 -5.358 17.244 1.657 1.00 0.00 C ATOM 431 OD1 ASN A 26 -4.526 16.972 2.655 1.00 0.00 O flip ATOM 432 ND2 ASN A 26 -4.987 17.329 0.486 1.00 0.00 N flip ATOM 0 H ASN A 26 -8.552 14.803 2.786 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.537 15.677 3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.431 17.350 1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.952 18.464 2.400 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.662 17.540 -0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.005 17.188 0.251 1.00 0.00 H new ATOM 439 N SER A 27 -8.460 18.062 4.476 1.00 0.00 N ATOM 440 CA SER A 27 -8.743 18.814 5.693 1.00 0.00 C ATOM 441 C SER A 27 -8.823 17.884 6.900 1.00 0.00 C ATOM 442 O SER A 27 -7.885 17.794 7.691 1.00 0.00 O ATOM 443 CB SER A 27 -10.052 19.591 5.545 1.00 0.00 C ATOM 444 OG SER A 27 -9.943 20.589 4.544 1.00 0.00 O ATOM 0 H SER A 27 -9.071 18.286 3.690 1.00 0.00 H new ATOM 0 HA SER A 27 -7.927 19.519 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.860 18.904 5.292 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.314 20.053 6.497 1.00 0.00 H new ATOM 0 HG SER A 27 -10.793 21.070 4.468 1.00 0.00 H new ATOM 450 N ASN A 28 -9.952 17.195 7.033 1.00 0.00 N ATOM 451 CA ASN A 28 -10.157 16.272 8.144 1.00 0.00 C ATOM 452 C ASN A 28 -10.970 15.060 7.700 1.00 0.00 C ATOM 453 O ASN A 28 -11.579 15.065 6.631 1.00 0.00 O ATOM 454 CB ASN A 28 -10.866 16.981 9.299 1.00 0.00 C ATOM 455 CG ASN A 28 -10.756 18.491 9.206 1.00 0.00 C ATOM 456 OD1 ASN A 28 -11.727 19.176 8.887 1.00 0.00 O ATOM 457 ND2 ASN A 28 -9.569 19.016 9.485 1.00 0.00 N ATOM 0 H ASN A 28 -10.738 17.258 6.386 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.180 15.928 8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.918 16.696 9.306 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.439 16.646 10.244 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.435 20.026 9.439 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.791 18.409 9.745 1.00 0.00 H new ATOM 464 N PHE A 29 -10.975 14.022 8.530 1.00 0.00 N ATOM 465 CA PHE A 29 -11.712 12.802 8.224 1.00 0.00 C ATOM 466 C PHE A 29 -13.163 12.913 8.684 1.00 0.00 C ATOM 467 O PHE A 29 -14.092 12.656 7.917 1.00 0.00 O ATOM 468 CB PHE A 29 -11.045 11.596 8.890 1.00 0.00 C ATOM 469 CG PHE A 29 -10.312 10.708 7.926 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.084 11.088 7.411 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.852 9.493 7.536 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.406 10.272 6.524 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.179 8.673 6.650 1.00 0.00 C ATOM 474 CZ PHE A 29 -8.956 9.064 6.142 1.00 0.00 C ATOM 0 H PHE A 29 -10.477 14.002 9.420 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.701 12.663 7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.347 11.950 9.648 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.805 11.009 9.406 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.651 12.032 7.705 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.809 9.183 7.929 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.448 10.579 6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.609 7.727 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.430 8.426 5.447 1.00 0.00 H new ATOM 484 N THR A 30 -13.350 13.298 9.943 1.00 0.00 N ATOM 485 CA THR A 30 -14.686 13.443 10.507 1.00 0.00 C ATOM 486 C THR A 30 -14.934 14.872 10.976 1.00 0.00 C ATOM 487 O THR A 30 -15.980 15.176 11.548 1.00 0.00 O ATOM 488 CB THR A 30 -14.904 12.481 11.690 1.00 0.00 C ATOM 489 OG1 THR A 30 -16.244 12.600 12.179 1.00 0.00 O ATOM 490 CG2 THR A 30 -13.921 12.775 12.814 1.00 0.00 C ATOM 0 H THR A 30 -12.593 13.515 10.591 1.00 0.00 H new ATOM 0 HA THR A 30 -15.392 13.197 9.713 1.00 0.00 H new ATOM 0 HB THR A 30 -14.736 11.463 11.337 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.601 13.482 11.944 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.094 12.083 13.639 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.902 12.655 12.447 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.062 13.798 13.163 1.00 0.00 H new ATOM 498 N LYS A 31 -13.964 15.746 10.730 1.00 0.00 N ATOM 499 CA LYS A 31 -14.077 17.145 11.125 1.00 0.00 C ATOM 500 C LYS A 31 -14.338 18.034 9.913 1.00 0.00 C ATOM 501 O LYS A 31 -14.712 19.198 10.055 1.00 0.00 O ATOM 502 CB LYS A 31 -12.801 17.599 11.838 1.00 0.00 C ATOM 503 CG LYS A 31 -11.947 16.451 12.348 1.00 0.00 C ATOM 504 CD LYS A 31 -10.683 16.953 13.025 1.00 0.00 C ATOM 505 CE LYS A 31 -10.536 16.381 14.426 1.00 0.00 C ATOM 506 NZ LYS A 31 -9.405 17.007 15.165 1.00 0.00 N ATOM 0 H LYS A 31 -13.091 15.510 10.259 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.921 17.236 11.809 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.208 18.205 11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.072 18.240 12.677 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.524 15.852 13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.681 15.798 11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.815 16.679 12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.704 18.042 13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.462 16.536 14.980 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.378 15.304 14.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.338 16.590 16.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.518 16.838 14.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.568 18.031 15.247 1.00 0.00 H new ATOM 520 N ASP A 32 -14.140 17.477 8.724 1.00 0.00 N ATOM 521 CA ASP A 32 -14.357 18.218 7.487 1.00 0.00 C ATOM 522 C ASP A 32 -15.691 17.838 6.852 1.00 0.00 C ATOM 523 O ASP A 32 -16.413 18.694 6.340 1.00 0.00 O ATOM 524 CB ASP A 32 -13.216 17.955 6.503 1.00 0.00 C ATOM 525 CG ASP A 32 -13.595 18.292 5.074 1.00 0.00 C ATOM 526 OD1 ASP A 32 -14.196 17.429 4.400 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.291 19.419 4.630 1.00 0.00 O ATOM 0 H ASP A 32 -13.830 16.515 8.590 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.380 19.281 7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.346 18.544 6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.925 16.906 6.561 1.00 0.00 H new ATOM 532 N LEU A 33 -16.012 16.549 6.889 1.00 0.00 N ATOM 533 CA LEU A 33 -17.259 16.055 6.316 1.00 0.00 C ATOM 534 C LEU A 33 -18.278 15.751 7.410 1.00 0.00 C ATOM 535 O LEU A 33 -19.479 15.683 7.153 1.00 0.00 O ATOM 536 CB LEU A 33 -16.998 14.798 5.483 1.00 0.00 C ATOM 537 CG LEU A 33 -16.004 13.797 6.072 1.00 0.00 C ATOM 538 CD1 LEU A 33 -16.552 12.382 5.979 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.661 13.899 5.363 1.00 0.00 C ATOM 0 H LEU A 33 -15.426 15.828 7.310 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.667 16.833 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.948 14.287 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.635 15.105 4.502 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.856 14.038 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.830 11.684 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.488 12.317 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.731 12.129 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.966 13.179 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.792 13.685 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.262 14.906 5.483 1.00 0.00 H new ATOM 551 N GLY A 34 -17.789 15.572 8.634 1.00 0.00 N ATOM 552 CA GLY A 34 -18.670 15.280 9.749 1.00 0.00 C ATOM 553 C GLY A 34 -19.348 13.931 9.614 1.00 0.00 C ATOM 554 O GLY A 34 -20.548 13.805 9.856 1.00 0.00 O ATOM 0 H GLY A 34 -16.799 15.624 8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.098 15.304 10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.429 16.059 9.822 1.00 0.00 H new ATOM 558 N ALA A 35 -18.579 12.919 9.226 1.00 0.00 N ATOM 559 CA ALA A 35 -19.113 11.573 9.059 1.00 0.00 C ATOM 560 C ALA A 35 -19.704 11.052 10.364 1.00 0.00 C ATOM 561 O ALA A 35 -20.919 11.084 10.563 1.00 0.00 O ATOM 562 CB ALA A 35 -18.027 10.633 8.557 1.00 0.00 C ATOM 0 H ALA A 35 -17.584 13.006 9.021 1.00 0.00 H new ATOM 0 HA ALA A 35 -19.912 11.615 8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -18.440 9.631 8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.653 10.989 7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.209 10.604 9.277 1.00 0.00 H new ATOM 568 N ASP A 36 -18.839 10.572 11.251 1.00 0.00 N ATOM 569 CA ASP A 36 -19.276 10.044 12.538 1.00 0.00 C ATOM 570 C ASP A 36 -18.086 9.552 13.356 1.00 0.00 C ATOM 571 O ASP A 36 -17.328 8.670 12.957 1.00 0.00 O ATOM 572 CB ASP A 36 -20.276 8.905 12.333 1.00 0.00 C ATOM 573 CG ASP A 36 -20.589 8.170 13.621 1.00 0.00 C ATOM 574 OD1 ASP A 36 -19.721 7.408 14.095 1.00 0.00 O ATOM 575 OD2 ASP A 36 -21.702 8.356 14.155 1.00 0.00 O ATOM 0 H ASP A 36 -17.831 10.538 11.102 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.763 10.850 13.087 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -21.199 9.307 11.914 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -19.875 8.200 11.604 1.00 0.00 H new ATOM 580 N SER A 37 -17.904 10.140 14.551 1.00 0.00 N ATOM 581 CA SER A 37 -16.821 9.841 15.515 1.00 0.00 C ATOM 582 C SER A 37 -16.612 8.332 15.724 1.00 0.00 C ATOM 583 O SER A 37 -15.516 7.799 15.542 1.00 0.00 O ATOM 584 CB SER A 37 -17.181 10.554 16.829 1.00 0.00 C ATOM 585 OG SER A 37 -18.356 9.992 17.414 1.00 0.00 O ATOM 0 H SER A 37 -18.532 10.868 14.890 1.00 0.00 H new ATOM 0 HA SER A 37 -15.869 10.203 15.126 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.349 10.475 17.529 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.338 11.616 16.639 1.00 0.00 H new ATOM 590 N LEU A 38 -17.688 7.658 16.113 1.00 0.00 N ATOM 591 CA LEU A 38 -17.644 6.219 16.353 1.00 0.00 C ATOM 592 C LEU A 38 -17.010 5.489 15.173 1.00 0.00 C ATOM 593 O LEU A 38 -16.187 4.592 15.355 1.00 0.00 O ATOM 594 CB LEU A 38 -19.054 5.681 16.603 1.00 0.00 C ATOM 595 CG LEU A 38 -19.931 6.507 17.544 1.00 0.00 C ATOM 596 CD1 LEU A 38 -20.882 7.389 16.751 1.00 0.00 C ATOM 597 CD2 LEU A 38 -20.705 5.597 18.487 1.00 0.00 C ATOM 0 H LEU A 38 -18.602 8.084 16.269 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.032 6.041 17.237 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.564 5.597 15.644 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -18.970 4.673 17.009 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.285 7.151 18.141 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.498 7.969 17.438 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.308 8.066 16.118 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.523 6.765 16.128 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.324 6.202 19.150 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.341 4.928 17.907 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.005 5.009 19.081 1.00 0.00 H new ATOM 609 N ASP A 39 -17.397 5.882 13.964 1.00 0.00 N ATOM 610 CA ASP A 39 -16.864 5.267 12.754 1.00 0.00 C ATOM 611 C ASP A 39 -15.384 5.595 12.584 1.00 0.00 C ATOM 612 O ASP A 39 -14.547 4.699 12.470 1.00 0.00 O ATOM 613 CB ASP A 39 -17.648 5.740 11.529 1.00 0.00 C ATOM 614 CG ASP A 39 -19.090 5.272 11.548 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.374 4.253 12.212 1.00 0.00 O ATOM 616 OD2 ASP A 39 -19.935 5.924 10.899 1.00 0.00 O ATOM 0 H ASP A 39 -18.077 6.623 13.796 1.00 0.00 H new ATOM 0 HA ASP A 39 -16.969 4.186 12.848 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.623 6.829 11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.162 5.372 10.626 1.00 0.00 H new ATOM 621 N LEU A 40 -15.068 6.886 12.567 1.00 0.00 N ATOM 622 CA LEU A 40 -13.688 7.333 12.410 1.00 0.00 C ATOM 623 C LEU A 40 -12.775 6.648 13.421 1.00 0.00 C ATOM 624 O LEU A 40 -11.750 6.070 13.056 1.00 0.00 O ATOM 625 CB LEU A 40 -13.602 8.852 12.574 1.00 0.00 C ATOM 626 CG LEU A 40 -12.938 9.614 11.428 1.00 0.00 C ATOM 627 CD1 LEU A 40 -11.492 9.173 11.260 1.00 0.00 C ATOM 628 CD2 LEU A 40 -13.712 9.413 10.133 1.00 0.00 C ATOM 0 H LEU A 40 -15.748 7.641 12.660 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.356 7.062 11.408 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.612 9.241 12.705 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.055 9.068 13.492 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.947 10.676 11.672 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.036 9.727 10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.942 9.370 12.180 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.460 8.106 11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.224 9.963 9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.736 8.352 9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -14.731 9.780 10.257 1.00 0.00 H new ATOM 640 N VAL A 41 -13.154 6.714 14.693 1.00 0.00 N ATOM 641 CA VAL A 41 -12.371 6.097 15.757 1.00 0.00 C ATOM 642 C VAL A 41 -12.326 4.582 15.599 1.00 0.00 C ATOM 643 O VAL A 41 -11.373 3.932 16.026 1.00 0.00 O ATOM 644 CB VAL A 41 -12.943 6.440 17.146 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.114 5.787 18.241 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.003 7.948 17.339 1.00 0.00 C ATOM 0 H VAL A 41 -13.999 7.189 15.012 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.360 6.498 15.679 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.958 6.047 17.209 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.533 6.041 19.215 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.127 4.705 18.111 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.087 6.147 18.183 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.409 8.173 18.325 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.000 8.366 17.256 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.643 8.388 16.574 1.00 0.00 H new ATOM 656 N GLU A 42 -13.364 4.026 14.981 1.00 0.00 N ATOM 657 CA GLU A 42 -13.442 2.586 14.766 1.00 0.00 C ATOM 658 C GLU A 42 -12.481 2.147 13.665 1.00 0.00 C ATOM 659 O GLU A 42 -11.480 1.479 13.929 1.00 0.00 O ATOM 660 CB GLU A 42 -14.871 2.179 14.402 1.00 0.00 C ATOM 661 CG GLU A 42 -15.707 1.755 15.598 1.00 0.00 C ATOM 662 CD GLU A 42 -15.558 0.281 15.920 1.00 0.00 C ATOM 663 OE1 GLU A 42 -14.578 -0.333 15.449 1.00 0.00 O ATOM 664 OE2 GLU A 42 -16.422 -0.259 16.643 1.00 0.00 O ATOM 0 H GLU A 42 -14.161 4.550 14.621 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.155 2.090 15.694 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.362 3.015 13.904 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.835 1.358 13.686 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.416 2.344 16.467 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.756 1.976 15.400 1.00 0.00 H new ATOM 671 N LEU A 43 -12.792 2.526 12.430 1.00 0.00 N ATOM 672 CA LEU A 43 -11.957 2.172 11.288 1.00 0.00 C ATOM 673 C LEU A 43 -10.479 2.366 11.613 1.00 0.00 C ATOM 674 O LEU A 43 -9.640 1.542 11.246 1.00 0.00 O ATOM 675 CB LEU A 43 -12.338 3.016 10.071 1.00 0.00 C ATOM 676 CG LEU A 43 -12.240 4.532 10.248 1.00 0.00 C ATOM 677 CD1 LEU A 43 -10.943 5.056 9.654 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.438 5.222 9.612 1.00 0.00 C ATOM 0 H LEU A 43 -13.616 3.078 12.194 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.125 1.120 11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.698 2.726 9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.361 2.769 9.788 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.242 4.755 11.315 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.891 6.136 9.789 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.097 4.586 10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.909 4.822 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.351 6.300 9.748 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.468 4.992 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.354 4.869 10.085 1.00 0.00 H new ATOM 690 N ILE A 44 -10.169 3.458 12.303 1.00 0.00 N ATOM 691 CA ILE A 44 -8.793 3.757 12.680 1.00 0.00 C ATOM 692 C ILE A 44 -8.229 2.682 13.602 1.00 0.00 C ATOM 693 O ILE A 44 -7.140 2.157 13.367 1.00 0.00 O ATOM 694 CB ILE A 44 -8.686 5.125 13.380 1.00 0.00 C ATOM 695 CG1 ILE A 44 -8.954 6.255 12.383 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.314 5.288 14.017 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.180 7.599 13.039 1.00 0.00 C ATOM 0 H ILE A 44 -10.851 4.150 12.612 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.212 3.783 11.758 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.439 5.174 14.167 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.110 6.332 11.698 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.829 6.000 11.784 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.254 6.259 14.508 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.159 4.499 14.753 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.545 5.222 13.247 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.364 8.352 12.272 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.042 7.539 13.703 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.297 7.876 13.615 1.00 0.00 H new ATOM 709 N MET A 45 -8.977 2.357 14.651 1.00 0.00 N ATOM 710 CA MET A 45 -8.553 1.341 15.607 1.00 0.00 C ATOM 711 C MET A 45 -8.154 0.054 14.892 1.00 0.00 C ATOM 712 O MET A 45 -7.314 -0.702 15.378 1.00 0.00 O ATOM 713 CB MET A 45 -9.672 1.055 16.611 1.00 0.00 C ATOM 714 CG MET A 45 -10.585 -0.086 16.193 1.00 0.00 C ATOM 715 SD MET A 45 -10.074 -1.672 16.880 1.00 0.00 S ATOM 716 CE MET A 45 -10.679 -1.526 18.559 1.00 0.00 C ATOM 0 H MET A 45 -9.880 2.783 14.861 1.00 0.00 H new ATOM 0 HA MET A 45 -7.684 1.723 16.142 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.229 0.820 17.579 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.269 1.957 16.744 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.604 0.133 16.513 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.601 -0.154 15.105 1.00 0.00 H new ATOM 0 HE1 MET A 45 -10.039 -2.101 19.228 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.669 -0.478 18.859 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.698 -1.909 18.613 1.00 0.00 H new ATOM 726 N ALA A 46 -8.764 -0.188 13.736 1.00 0.00 N ATOM 727 CA ALA A 46 -8.470 -1.383 12.954 1.00 0.00 C ATOM 728 C ALA A 46 -7.223 -1.187 12.099 1.00 0.00 C ATOM 729 O ALA A 46 -6.456 -2.125 11.877 1.00 0.00 O ATOM 730 CB ALA A 46 -9.661 -1.745 12.078 1.00 0.00 C ATOM 0 H ALA A 46 -9.464 0.427 13.321 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.278 -2.203 13.646 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.429 -2.639 11.499 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.531 -1.936 12.707 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.878 -0.920 11.400 1.00 0.00 H new ATOM 736 N LEU A 47 -7.026 0.037 11.621 1.00 0.00 N ATOM 737 CA LEU A 47 -5.871 0.356 10.788 1.00 0.00 C ATOM 738 C LEU A 47 -4.575 0.226 11.583 1.00 0.00 C ATOM 739 O LEU A 47 -3.535 -0.138 11.036 1.00 0.00 O ATOM 740 CB LEU A 47 -5.998 1.772 10.226 1.00 0.00 C ATOM 741 CG LEU A 47 -4.740 2.639 10.298 1.00 0.00 C ATOM 742 CD1 LEU A 47 -4.748 3.684 9.194 1.00 0.00 C ATOM 743 CD2 LEU A 47 -4.627 3.303 11.663 1.00 0.00 C ATOM 0 H LEU A 47 -7.650 0.824 11.796 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.842 -0.354 9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.307 1.701 9.183 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.798 2.283 10.761 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.871 1.997 10.156 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.845 4.291 9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.780 3.188 8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.624 4.323 9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.726 3.916 11.696 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.500 3.932 11.835 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.573 2.537 12.437 1.00 0.00 H new ATOM 755 N GLU A 48 -4.647 0.525 12.876 1.00 0.00 N ATOM 756 CA GLU A 48 -3.479 0.441 13.745 1.00 0.00 C ATOM 757 C GLU A 48 -3.273 -0.988 14.241 1.00 0.00 C ATOM 758 O GLU A 48 -2.148 -1.485 14.279 1.00 0.00 O ATOM 759 CB GLU A 48 -3.633 1.388 14.937 1.00 0.00 C ATOM 760 CG GLU A 48 -4.857 1.100 15.790 1.00 0.00 C ATOM 761 CD GLU A 48 -5.072 2.140 16.872 1.00 0.00 C ATOM 762 OE1 GLU A 48 -5.663 3.198 16.569 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.648 1.898 18.021 1.00 0.00 O ATOM 0 H GLU A 48 -5.501 0.827 13.345 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.605 0.737 13.166 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.742 1.321 15.561 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.689 2.413 14.571 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.739 1.058 15.151 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.751 0.118 16.251 1.00 0.00 H new ATOM 770 N GLU A 49 -4.367 -1.640 14.622 1.00 0.00 N ATOM 771 CA GLU A 49 -4.305 -3.010 15.117 1.00 0.00 C ATOM 772 C GLU A 49 -3.695 -3.940 14.071 1.00 0.00 C ATOM 773 O GLU A 49 -3.025 -4.917 14.406 1.00 0.00 O ATOM 774 CB GLU A 49 -5.702 -3.502 15.499 1.00 0.00 C ATOM 775 CG GLU A 49 -5.912 -3.636 16.998 1.00 0.00 C ATOM 776 CD GLU A 49 -7.286 -4.172 17.350 1.00 0.00 C ATOM 777 OE1 GLU A 49 -8.156 -4.207 16.455 1.00 0.00 O ATOM 778 OE2 GLU A 49 -7.490 -4.556 18.520 1.00 0.00 O ATOM 0 H GLU A 49 -5.306 -1.242 14.597 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.669 -3.020 16.002 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.444 -2.812 15.097 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.879 -4.469 15.028 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.151 -4.299 17.410 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.775 -2.662 17.469 1.00 0.00 H new ATOM 785 N LYS A 50 -3.934 -3.629 12.801 1.00 0.00 N ATOM 786 CA LYS A 50 -3.409 -4.434 11.704 1.00 0.00 C ATOM 787 C LYS A 50 -1.978 -4.028 11.368 1.00 0.00 C ATOM 788 O LYS A 50 -1.114 -4.879 11.155 1.00 0.00 O ATOM 789 CB LYS A 50 -4.297 -4.287 10.466 1.00 0.00 C ATOM 790 CG LYS A 50 -3.814 -5.092 9.273 1.00 0.00 C ATOM 791 CD LYS A 50 -3.811 -6.582 9.571 1.00 0.00 C ATOM 792 CE LYS A 50 -4.059 -7.402 8.314 1.00 0.00 C ATOM 793 NZ LYS A 50 -5.041 -8.497 8.550 1.00 0.00 N ATOM 0 H LYS A 50 -4.488 -2.825 12.506 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.407 -5.477 12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.311 -4.598 10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.347 -3.234 10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.456 -4.893 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.808 -4.772 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.853 -6.865 10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.579 -6.808 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.426 -6.750 7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.118 -7.827 7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.182 -9.032 7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.680 -9.134 9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.947 -8.090 8.857 1.00 0.00 H new ATOM 807 N PHE A 51 -1.733 -2.722 11.323 1.00 0.00 N ATOM 808 CA PHE A 51 -0.406 -2.204 11.013 1.00 0.00 C ATOM 809 C PHE A 51 0.601 -2.608 12.087 1.00 0.00 C ATOM 810 O PHE A 51 1.811 -2.528 11.880 1.00 0.00 O ATOM 811 CB PHE A 51 -0.447 -0.680 10.885 1.00 0.00 C ATOM 812 CG PHE A 51 -0.596 -0.201 9.470 1.00 0.00 C ATOM 813 CD1 PHE A 51 -1.345 -0.924 8.555 1.00 0.00 C ATOM 814 CD2 PHE A 51 0.013 0.972 9.053 1.00 0.00 C ATOM 815 CE1 PHE A 51 -1.485 -0.486 7.251 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.123 1.415 7.751 1.00 0.00 C ATOM 817 CZ PHE A 51 -0.872 0.685 6.849 1.00 0.00 C ATOM 0 H PHE A 51 -2.436 -2.004 11.497 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.089 -2.633 10.063 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.276 -0.296 11.479 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.468 -0.263 11.307 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.825 -1.841 8.864 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.601 1.547 9.754 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.072 -1.058 6.548 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.356 2.331 7.439 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.978 1.029 5.831 1.00 0.00 H new ATOM 827 N ASN A 52 0.090 -3.042 13.235 1.00 0.00 N ATOM 828 CA ASN A 52 0.943 -3.457 14.342 1.00 0.00 C ATOM 829 C ASN A 52 1.687 -2.264 14.933 1.00 0.00 C ATOM 830 O ASN A 52 2.908 -2.295 15.089 1.00 0.00 O ATOM 831 CB ASN A 52 1.944 -4.516 13.873 1.00 0.00 C ATOM 832 CG ASN A 52 2.532 -5.306 15.026 1.00 0.00 C ATOM 833 OD1 ASN A 52 3.751 -5.378 15.186 1.00 0.00 O ATOM 834 ND2 ASN A 52 1.666 -5.905 15.835 1.00 0.00 N ATOM 0 H ASN A 52 -0.910 -3.115 13.422 1.00 0.00 H new ATOM 0 HA ASN A 52 0.307 -3.885 15.117 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.449 -5.199 13.183 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.749 -4.032 13.320 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.003 -6.452 16.627 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.664 -5.818 15.664 1.00 0.00 H new ATOM 841 N VAL A 53 0.943 -1.212 15.261 1.00 0.00 N ATOM 842 CA VAL A 53 1.532 -0.009 15.837 1.00 0.00 C ATOM 843 C VAL A 53 0.830 0.380 17.133 1.00 0.00 C ATOM 844 O VAL A 53 -0.140 -0.258 17.543 1.00 0.00 O ATOM 845 CB VAL A 53 1.463 1.175 14.854 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.796 1.359 14.145 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.339 0.968 13.849 1.00 0.00 C ATOM 0 H VAL A 53 -0.069 -1.169 15.138 1.00 0.00 H new ATOM 0 HA VAL A 53 2.577 -0.237 16.047 1.00 0.00 H new ATOM 0 HB VAL A 53 1.251 2.082 15.420 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.728 2.200 13.455 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.575 1.556 14.881 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.041 0.453 13.590 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.305 1.814 13.162 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.518 0.051 13.287 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.611 0.890 14.377 1.00 0.00 H new ATOM 857 N THR A 54 1.327 1.432 17.776 1.00 0.00 N ATOM 858 CA THR A 54 0.749 1.906 19.027 1.00 0.00 C ATOM 859 C THR A 54 0.366 3.378 18.932 1.00 0.00 C ATOM 860 O THR A 54 1.165 4.259 19.254 1.00 0.00 O ATOM 861 CB THR A 54 1.724 1.716 20.204 1.00 0.00 C ATOM 862 OG1 THR A 54 2.291 0.401 20.164 1.00 0.00 O ATOM 863 CG2 THR A 54 1.015 1.927 21.534 1.00 0.00 C ATOM 0 H THR A 54 2.129 1.972 17.451 1.00 0.00 H new ATOM 0 HA THR A 54 -0.146 1.311 19.207 1.00 0.00 H new ATOM 0 HB THR A 54 2.518 2.457 20.112 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.911 0.289 20.915 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.724 1.788 22.350 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.610 2.938 21.574 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.203 1.207 21.632 1.00 0.00 H new ATOM 871 N ILE A 55 -0.859 3.639 18.490 1.00 0.00 N ATOM 872 CA ILE A 55 -1.348 5.005 18.356 1.00 0.00 C ATOM 873 C ILE A 55 -2.735 5.157 18.972 1.00 0.00 C ATOM 874 O ILE A 55 -3.458 4.176 19.146 1.00 0.00 O ATOM 875 CB ILE A 55 -1.404 5.440 16.879 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.419 4.619 16.045 1.00 0.00 C ATOM 877 CG2 ILE A 55 -1.103 6.926 16.753 1.00 0.00 C ATOM 878 CD1 ILE A 55 -1.006 3.330 15.513 1.00 0.00 C ATOM 0 H ILE A 55 -1.532 2.922 18.218 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.645 5.645 18.889 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.410 5.259 16.500 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.072 5.224 15.207 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.455 4.387 16.654 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.146 7.218 15.704 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.840 7.496 17.319 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.107 7.130 17.146 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.252 2.800 14.931 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.327 2.705 16.346 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.862 3.555 14.877 1.00 0.00 H new ATOM 890 N SER A 56 -3.100 6.392 19.297 1.00 0.00 N ATOM 891 CA SER A 56 -4.400 6.673 19.895 1.00 0.00 C ATOM 892 C SER A 56 -4.639 8.176 19.996 1.00 0.00 C ATOM 893 O SER A 56 -5.414 8.745 19.227 1.00 0.00 O ATOM 894 CB SER A 56 -4.495 6.036 21.283 1.00 0.00 C ATOM 895 OG SER A 56 -5.176 4.794 21.230 1.00 0.00 O ATOM 0 H SER A 56 -2.514 7.215 19.156 1.00 0.00 H new ATOM 0 HA SER A 56 -5.168 6.243 19.252 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.494 5.888 21.688 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.016 6.711 21.961 1.00 0.00 H new ATOM 0 HG SER A 56 -4.783 4.235 20.528 1.00 0.00 H new ATOM 901 N ASP A 57 -3.968 8.813 20.949 1.00 0.00 N ATOM 902 CA ASP A 57 -4.106 10.250 21.151 1.00 0.00 C ATOM 903 C ASP A 57 -3.639 11.019 19.919 1.00 0.00 C ATOM 904 O ASP A 57 -3.957 12.197 19.755 1.00 0.00 O ATOM 905 CB ASP A 57 -3.306 10.694 22.377 1.00 0.00 C ATOM 906 CG ASP A 57 -4.099 10.566 23.663 1.00 0.00 C ATOM 907 OD1 ASP A 57 -4.855 9.581 23.799 1.00 0.00 O ATOM 908 OD2 ASP A 57 -3.963 11.450 24.534 1.00 0.00 O ATOM 0 H ASP A 57 -3.323 8.357 21.594 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.161 10.469 21.316 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.399 10.095 22.452 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.994 11.730 22.248 1.00 0.00 H new ATOM 913 N GLN A 58 -2.884 10.345 19.058 1.00 0.00 N ATOM 914 CA GLN A 58 -2.372 10.967 17.842 1.00 0.00 C ATOM 915 C GLN A 58 -3.121 10.458 16.615 1.00 0.00 C ATOM 916 O GLN A 58 -3.421 11.222 15.697 1.00 0.00 O ATOM 917 CB GLN A 58 -0.875 10.689 17.693 1.00 0.00 C ATOM 918 CG GLN A 58 -0.058 11.093 18.909 1.00 0.00 C ATOM 919 CD GLN A 58 0.480 9.900 19.674 1.00 0.00 C ATOM 920 OE1 GLN A 58 1.314 9.148 19.168 1.00 0.00 O ATOM 921 NE2 GLN A 58 0.005 9.720 20.901 1.00 0.00 N ATOM 0 H GLN A 58 -2.613 9.369 19.179 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.528 12.043 17.920 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.728 9.626 17.504 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.500 11.223 16.820 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.774 11.721 18.590 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.677 11.697 19.573 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.685 10.368 21.281 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.331 8.934 21.464 1.00 0.00 H new ATOM 930 N ASP A 59 -3.419 9.163 16.604 1.00 0.00 N ATOM 931 CA ASP A 59 -4.133 8.552 15.489 1.00 0.00 C ATOM 932 C ASP A 59 -5.474 9.242 15.259 1.00 0.00 C ATOM 933 O ASP A 59 -6.041 9.170 14.170 1.00 0.00 O ATOM 934 CB ASP A 59 -4.351 7.061 15.751 1.00 0.00 C ATOM 935 CG ASP A 59 -3.787 6.190 14.646 1.00 0.00 C ATOM 936 OD1 ASP A 59 -2.699 6.520 14.128 1.00 0.00 O ATOM 937 OD2 ASP A 59 -4.433 5.180 14.298 1.00 0.00 O ATOM 0 H ASP A 59 -3.177 8.516 17.355 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.525 8.670 14.592 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.884 6.789 16.698 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.418 6.866 15.855 1.00 0.00 H new ATOM 942 N ALA A 60 -5.975 9.909 16.293 1.00 0.00 N ATOM 943 CA ALA A 60 -7.249 10.613 16.204 1.00 0.00 C ATOM 944 C ALA A 60 -7.058 12.027 15.666 1.00 0.00 C ATOM 945 O ALA A 60 -8.006 12.656 15.194 1.00 0.00 O ATOM 946 CB ALA A 60 -7.927 10.651 17.565 1.00 0.00 C ATOM 0 H ALA A 60 -5.518 9.977 17.203 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.888 10.071 15.507 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.877 11.179 17.484 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.107 9.633 17.911 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.284 11.168 18.277 1.00 0.00 H new ATOM 952 N LEU A 61 -5.828 12.522 15.740 1.00 0.00 N ATOM 953 CA LEU A 61 -5.512 13.864 15.261 1.00 0.00 C ATOM 954 C LEU A 61 -4.338 13.832 14.288 1.00 0.00 C ATOM 955 O LEU A 61 -3.551 14.776 14.217 1.00 0.00 O ATOM 956 CB LEU A 61 -5.189 14.784 16.439 1.00 0.00 C ATOM 957 CG LEU A 61 -4.195 14.238 17.465 1.00 0.00 C ATOM 958 CD1 LEU A 61 -2.766 14.444 16.986 1.00 0.00 C ATOM 959 CD2 LEU A 61 -4.407 14.901 18.818 1.00 0.00 C ATOM 0 H LEU A 61 -5.032 12.015 16.127 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.385 14.251 14.735 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.796 15.721 16.045 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.120 15.021 16.955 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.368 13.168 17.576 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.073 14.049 17.729 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.620 13.922 16.040 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.579 15.509 16.845 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.691 14.500 19.536 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.262 15.977 18.723 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.420 14.701 19.166 1.00 0.00 H new ATOM 971 N LYS A 62 -4.229 12.742 13.536 1.00 0.00 N ATOM 972 CA LYS A 62 -3.153 12.587 12.564 1.00 0.00 C ATOM 973 C LYS A 62 -3.703 12.142 11.212 1.00 0.00 C ATOM 974 O LYS A 62 -3.605 12.868 10.222 1.00 0.00 O ATOM 975 CB LYS A 62 -2.124 11.573 13.067 1.00 0.00 C ATOM 976 CG LYS A 62 -1.078 12.175 13.989 1.00 0.00 C ATOM 977 CD LYS A 62 0.205 11.361 13.984 1.00 0.00 C ATOM 978 CE LYS A 62 -0.024 9.957 14.525 1.00 0.00 C ATOM 979 NZ LYS A 62 1.154 9.458 15.287 1.00 0.00 N ATOM 0 H LYS A 62 -4.873 11.952 13.581 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.667 13.555 12.439 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.643 10.772 13.594 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.624 11.120 12.211 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.863 13.197 13.678 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.473 12.227 15.004 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.596 11.302 12.968 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.960 11.866 14.587 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.902 9.955 15.171 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.236 9.279 13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.959 8.499 15.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.986 9.435 14.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.341 10.091 16.091 1.00 0.00 H new ATOM 993 N ILE A 63 -4.281 10.946 11.179 1.00 0.00 N ATOM 994 CA ILE A 63 -4.847 10.406 9.949 1.00 0.00 C ATOM 995 C ILE A 63 -5.928 11.326 9.392 1.00 0.00 C ATOM 996 O ILE A 63 -6.227 11.298 8.199 1.00 0.00 O ATOM 997 CB ILE A 63 -5.446 9.005 10.173 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.337 7.992 10.460 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.261 8.578 8.961 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -3.946 7.922 11.920 1.00 0.00 C ATOM 0 H ILE A 63 -4.370 10.333 11.989 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.030 10.332 9.231 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.109 9.043 11.037 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.664 7.005 10.132 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.458 8.250 9.869 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.678 7.586 9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.071 9.289 8.799 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.618 8.553 8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.155 7.183 12.050 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.589 8.898 12.248 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.812 7.634 12.515 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.510 12.143 10.264 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.558 13.073 9.859 1.00 0.00 C ATOM 1014 C ASN A 64 -7.145 13.846 8.610 1.00 0.00 C ATOM 1015 O ASN A 64 -7.981 14.182 7.770 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.870 14.048 10.996 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.846 15.162 11.100 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -5.595 14.794 11.348 1.00 0.00 O flip ATOM 1019 ND2 ASN A 64 -7.177 16.340 10.958 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.274 12.180 11.256 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.453 12.496 9.628 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.858 14.480 10.839 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.906 13.503 11.939 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.151 16.577 10.768 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.477 17.079 11.030 1.00 0.00 H new ATOM 1026 N THR A 65 -5.851 14.124 8.493 1.00 0.00 N ATOM 1027 CA THR A 65 -5.327 14.857 7.347 1.00 0.00 C ATOM 1028 C THR A 65 -4.438 13.969 6.486 1.00 0.00 C ATOM 1029 O THR A 65 -3.536 13.299 6.990 1.00 0.00 O ATOM 1030 CB THR A 65 -4.522 16.093 7.792 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.236 15.691 8.279 1.00 0.00 O ATOM 1032 CG2 THR A 65 -5.263 16.861 8.876 1.00 0.00 C ATOM 0 H THR A 65 -5.146 13.853 9.178 1.00 0.00 H new ATOM 0 HA THR A 65 -6.186 15.183 6.761 1.00 0.00 H new ATOM 0 HB THR A 65 -4.395 16.746 6.929 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.730 16.482 8.558 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.675 17.729 9.174 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.229 17.191 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.417 16.214 9.739 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.697 13.967 5.182 1.00 0.00 N ATOM 1041 CA VAL A 66 -3.918 13.161 4.249 1.00 0.00 C ATOM 1042 C VAL A 66 -2.423 13.381 4.448 1.00 0.00 C ATOM 1043 O VAL A 66 -1.613 12.497 4.168 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.283 13.484 2.788 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.315 12.803 1.832 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -5.716 13.070 2.493 1.00 0.00 C ATOM 0 H VAL A 66 -5.440 14.514 4.748 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.159 12.118 4.454 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.203 14.561 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.589 13.043 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.302 13.154 2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.360 11.724 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.957 13.306 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.826 11.998 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.394 13.609 3.155 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.064 14.564 4.935 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.665 14.900 5.171 1.00 0.00 C ATOM 1058 C GLN A 67 -0.103 14.099 6.341 1.00 0.00 C ATOM 1059 O GLN A 67 0.862 13.351 6.187 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.517 16.398 5.446 1.00 0.00 C ATOM 1061 CG GLN A 67 0.806 16.976 4.971 1.00 0.00 C ATOM 1062 CD GLN A 67 1.996 16.388 5.703 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.355 16.838 6.791 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.616 15.375 5.108 1.00 0.00 N ATOM 0 H GLN A 67 -2.722 15.306 5.174 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.100 14.645 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.333 16.931 4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.617 16.574 6.517 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.915 16.793 3.902 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.797 18.057 5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.285 15.033 4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.423 14.939 5.553 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.713 14.261 7.510 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.275 13.552 8.706 1.00 0.00 C ATOM 1075 C ASP A 68 -0.504 12.050 8.563 1.00 0.00 C ATOM 1076 O ASP A 68 0.199 11.245 9.172 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.015 14.078 9.937 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.315 15.263 10.572 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.600 15.823 9.933 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -0.683 15.631 11.707 1.00 0.00 O ATOM 0 H ASP A 68 -1.513 14.877 7.655 1.00 0.00 H new ATOM 0 HA ASP A 68 0.793 13.728 8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.027 14.367 9.653 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.107 13.278 10.671 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.491 11.682 7.754 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.812 10.278 7.529 1.00 0.00 C ATOM 1087 C ALA A 69 -0.647 9.548 6.870 1.00 0.00 C ATOM 1088 O ALA A 69 -0.075 8.623 7.448 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.066 10.153 6.677 1.00 0.00 C ATOM 0 H ALA A 69 -2.083 12.337 7.243 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.997 9.813 8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.294 9.099 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.902 10.631 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.902 10.639 5.715 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.302 9.967 5.657 1.00 0.00 N ATOM 1096 CA ILE A 70 0.795 9.353 4.920 1.00 0.00 C ATOM 1097 C ILE A 70 2.105 9.459 5.694 1.00 0.00 C ATOM 1098 O ILE A 70 3.010 8.643 5.518 1.00 0.00 O ATOM 1099 CB ILE A 70 0.975 10.001 3.535 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.284 11.492 3.682 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.270 9.794 2.687 1.00 0.00 C ATOM 1102 CD1 ILE A 70 2.759 11.792 3.835 1.00 0.00 C ATOM 0 H ILE A 70 -0.767 10.729 5.164 1.00 0.00 H new ATOM 0 HA ILE A 70 0.538 8.302 4.789 1.00 0.00 H new ATOM 0 HB ILE A 70 1.816 9.522 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.903 12.021 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.751 11.881 4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.127 10.258 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.449 8.727 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.128 10.249 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.903 12.868 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.142 11.291 4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.296 11.433 2.957 1.00 0.00 H new ATOM 1114 N ASP A 71 2.198 10.469 6.551 1.00 0.00 N ATOM 1115 CA ASP A 71 3.397 10.682 7.355 1.00 0.00 C ATOM 1116 C ASP A 71 3.396 9.775 8.581 1.00 0.00 C ATOM 1117 O ASP A 71 4.452 9.430 9.112 1.00 0.00 O ATOM 1118 CB ASP A 71 3.494 12.146 7.787 1.00 0.00 C ATOM 1119 CG ASP A 71 4.926 12.586 8.021 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.781 11.712 8.274 1.00 0.00 O ATOM 1121 OD2 ASP A 71 5.191 13.805 7.952 1.00 0.00 O ATOM 0 H ASP A 71 1.458 11.153 6.708 1.00 0.00 H new ATOM 0 HA ASP A 71 4.264 10.435 6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.043 12.778 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.918 12.291 8.701 1.00 0.00 H new ATOM 1126 N TYR A 72 2.205 9.394 9.028 1.00 0.00 N ATOM 1127 CA TYR A 72 2.066 8.530 10.195 1.00 0.00 C ATOM 1128 C TYR A 72 2.374 7.079 9.838 1.00 0.00 C ATOM 1129 O TYR A 72 2.890 6.322 10.661 1.00 0.00 O ATOM 1130 CB TYR A 72 0.653 8.637 10.770 1.00 0.00 C ATOM 1131 CG TYR A 72 0.008 7.298 11.046 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.379 6.540 12.150 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -0.972 6.790 10.202 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.207 5.315 12.405 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.565 5.567 10.451 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.178 4.833 11.553 1.00 0.00 C ATOM 1137 OH TYR A 72 -1.765 3.614 11.805 1.00 0.00 O ATOM 0 H TYR A 72 1.321 9.670 8.600 1.00 0.00 H new ATOM 0 HA TYR A 72 2.782 8.860 10.947 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.689 9.211 11.696 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.028 9.195 10.073 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.138 6.915 12.820 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.275 7.361 9.337 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.094 4.738 13.267 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.327 5.188 9.786 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.566 3.339 12.724 1.00 0.00 H new ATOM 1147 N ILE A 73 2.053 6.699 8.606 1.00 0.00 N ATOM 1148 CA ILE A 73 2.297 5.340 8.139 1.00 0.00 C ATOM 1149 C ILE A 73 3.709 5.194 7.584 1.00 0.00 C ATOM 1150 O ILE A 73 4.308 4.121 7.659 1.00 0.00 O ATOM 1151 CB ILE A 73 1.285 4.929 7.052 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.505 5.753 5.782 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.138 5.100 7.561 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.344 5.046 4.740 1.00 0.00 C ATOM 0 H ILE A 73 1.624 7.313 7.914 1.00 0.00 H new ATOM 0 HA ILE A 73 2.179 4.684 9.001 1.00 0.00 H new ATOM 0 HB ILE A 73 1.440 3.877 6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.537 6.003 5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.987 6.694 6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.841 4.806 6.782 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.288 4.473 8.440 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.307 6.144 7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.458 5.689 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.326 4.820 5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.853 4.119 4.445 1.00 0.00 H new ATOM 1166 N GLU A 74 4.237 6.281 7.028 1.00 0.00 N ATOM 1167 CA GLU A 74 5.580 6.273 6.462 1.00 0.00 C ATOM 1168 C GLU A 74 6.635 6.354 7.561 1.00 0.00 C ATOM 1169 O GLU A 74 7.742 5.836 7.416 1.00 0.00 O ATOM 1170 CB GLU A 74 5.753 7.439 5.486 1.00 0.00 C ATOM 1171 CG GLU A 74 5.160 7.177 4.112 1.00 0.00 C ATOM 1172 CD GLU A 74 6.215 7.101 3.026 1.00 0.00 C ATOM 1173 OE1 GLU A 74 7.104 7.978 3.001 1.00 0.00 O ATOM 1174 OE2 GLU A 74 6.153 6.165 2.202 1.00 0.00 O ATOM 0 H GLU A 74 3.755 7.177 6.958 1.00 0.00 H new ATOM 0 HA GLU A 74 5.714 5.335 5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.287 8.328 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.816 7.657 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.599 6.243 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.451 7.968 3.870 1.00 0.00 H new ATOM 1181 N LYS A 75 6.284 7.010 8.662 1.00 0.00 N ATOM 1182 CA LYS A 75 7.198 7.160 9.788 1.00 0.00 C ATOM 1183 C LYS A 75 7.138 5.942 10.704 1.00 0.00 C ATOM 1184 O LYS A 75 8.152 5.522 11.261 1.00 0.00 O ATOM 1185 CB LYS A 75 6.859 8.425 10.582 1.00 0.00 C ATOM 1186 CG LYS A 75 5.644 8.272 11.480 1.00 0.00 C ATOM 1187 CD LYS A 75 5.119 9.620 11.942 1.00 0.00 C ATOM 1188 CE LYS A 75 5.958 10.186 13.077 1.00 0.00 C ATOM 1189 NZ LYS A 75 6.993 11.135 12.582 1.00 0.00 N ATOM 0 H LYS A 75 5.372 7.447 8.798 1.00 0.00 H new ATOM 0 HA LYS A 75 8.210 7.246 9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.719 8.702 11.192 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.685 9.245 9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.859 7.739 10.944 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.905 7.666 12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.119 10.318 11.105 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.085 9.516 12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.309 10.696 13.789 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.441 9.369 13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.826 11.096 13.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.271 10.872 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.607 12.101 12.581 1.00 0.00 H new ATOM 1203 N ASN A 76 5.944 5.378 10.854 1.00 0.00 N ATOM 1204 CA ASN A 76 5.753 4.206 11.702 1.00 0.00 C ATOM 1205 C ASN A 76 5.842 2.922 10.883 1.00 0.00 C ATOM 1206 O ASN A 76 6.839 2.204 10.943 1.00 0.00 O ATOM 1207 CB ASN A 76 4.399 4.279 12.411 1.00 0.00 C ATOM 1208 CG ASN A 76 4.319 5.438 13.386 1.00 0.00 C ATOM 1209 OD1 ASN A 76 5.339 5.995 13.790 1.00 0.00 O ATOM 1210 ND2 ASN A 76 3.102 5.806 13.768 1.00 0.00 N ATOM 0 H ASN A 76 5.094 5.713 10.400 1.00 0.00 H new ATOM 0 HA ASN A 76 6.547 4.195 12.449 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.608 4.377 11.668 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.221 3.346 12.945 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.985 6.580 14.422 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.284 5.315 13.407 1.00 0.00 H new ATOM 1217 N ASN A 77 4.793 2.641 10.117 1.00 0.00 N ATOM 1218 CA ASN A 77 4.753 1.443 9.286 1.00 0.00 C ATOM 1219 C ASN A 77 5.997 1.347 8.409 1.00 0.00 C ATOM 1220 O ASN A 77 6.486 0.254 8.123 1.00 0.00 O ATOM 1221 CB ASN A 77 3.498 1.447 8.411 1.00 0.00 C ATOM 1222 CG ASN A 77 2.936 0.054 8.200 1.00 0.00 C ATOM 1223 OD1 ASN A 77 2.596 -0.618 9.294 1.00 0.00 O flip ATOM 1224 ND2 ASN A 77 2.809 -0.411 7.067 1.00 0.00 N flip ATOM 0 H ASN A 77 3.960 3.226 10.054 1.00 0.00 H new ATOM 0 HA ASN A 77 4.727 0.575 9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.738 2.076 8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.734 1.891 7.444 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.084 0.142 6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.429 -1.349 6.940 1.00 0.00 H new ATOM 1231 N LYS A 78 6.507 2.500 7.986 1.00 0.00 N ATOM 1232 CA LYS A 78 7.696 2.548 7.144 1.00 0.00 C ATOM 1233 C LYS A 78 7.402 1.986 5.756 1.00 0.00 C ATOM 1234 O LYS A 78 7.249 2.736 4.793 1.00 0.00 O ATOM 1235 CB LYS A 78 8.838 1.763 7.793 1.00 0.00 C ATOM 1236 CG LYS A 78 10.000 2.635 8.236 1.00 0.00 C ATOM 1237 CD LYS A 78 11.218 1.801 8.596 1.00 0.00 C ATOM 1238 CE LYS A 78 10.933 0.878 9.771 1.00 0.00 C ATOM 1239 NZ LYS A 78 11.060 -0.557 9.393 1.00 0.00 N ATOM 0 H LYS A 78 6.115 3.414 8.213 1.00 0.00 H new ATOM 0 HA LYS A 78 7.995 3.591 7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.451 1.222 8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.203 1.017 7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.258 3.332 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.700 3.233 9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.523 1.210 7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.051 2.459 8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.623 1.102 10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.927 1.067 10.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.858 -1.153 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.384 -0.777 8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.027 -0.744 9.059 1.00 0.00 H new ATOM 1253 N GLN A 79 7.325 0.662 5.663 1.00 0.00 N ATOM 1254 CA GLN A 79 7.050 0.001 4.393 1.00 0.00 C ATOM 1255 C GLN A 79 5.609 -0.498 4.341 1.00 0.00 C ATOM 1256 O GLN A 79 5.099 -0.843 3.274 1.00 0.00 O ATOM 1257 CB GLN A 79 8.014 -1.168 4.183 1.00 0.00 C ATOM 1258 CG GLN A 79 7.753 -2.347 5.107 1.00 0.00 C ATOM 1259 CD GLN A 79 8.988 -3.196 5.333 1.00 0.00 C ATOM 1260 OE1 GLN A 79 9.027 -4.367 4.955 1.00 0.00 O ATOM 1261 NE2 GLN A 79 10.005 -2.609 5.952 1.00 0.00 N ATOM 0 H GLN A 79 7.449 0.027 6.451 1.00 0.00 H new ATOM 0 HA GLN A 79 7.193 0.729 3.594 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.943 -1.505 3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 79 9.035 -0.818 4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 79 7.390 -1.978 6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.963 -2.967 4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 79 9.929 -1.636 6.248 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.863 -3.131 6.132 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 -19.290 10.836 18.416 1.00 0.00 P HETATM 1272 O25 PNS A 137 -19.959 9.748 19.403 1.00 0.00 O HETATM 1273 O26 PNS A 137 -18.577 11.906 19.146 1.00 0.00 O HETATM 1274 O27 PNS A 137 -20.490 11.372 17.484 1.00 0.00 O HETATM 1275 C28 PNS A 137 -20.465 12.673 16.888 1.00 0.00 C HETATM 1276 C29 PNS A 137 -21.556 12.886 15.817 1.00 0.00 C HETATM 1277 C30 PNS A 137 -22.927 12.528 16.422 1.00 0.00 C HETATM 1278 C31 PNS A 137 -21.251 11.934 14.641 1.00 0.00 C HETATM 1279 C32 PNS A 137 -21.475 14.364 15.364 1.00 0.00 C HETATM 1280 O33 PNS A 137 -21.782 15.250 16.446 1.00 0.00 O HETATM 1281 C34 PNS A 137 -22.388 14.762 14.176 1.00 0.00 C HETATM 1282 O35 PNS A 137 -23.417 14.136 13.908 1.00 0.00 O HETATM 1283 N36 PNS A 137 -22.055 15.826 13.432 1.00 0.00 N HETATM 1284 C37 PNS A 137 -20.889 16.708 13.640 1.00 0.00 C HETATM 1285 C38 PNS A 137 -21.087 17.986 12.820 1.00 0.00 C HETATM 1286 C39 PNS A 137 -20.040 19.061 13.189 1.00 0.00 C HETATM 1287 O40 PNS A 137 -20.127 19.615 14.285 1.00 0.00 O HETATM 1288 N41 PNS A 137 -19.066 19.359 12.320 1.00 0.00 N HETATM 1289 C42 PNS A 137 -18.853 18.783 10.975 1.00 0.00 C HETATM 1290 C43 PNS A 137 -17.585 19.366 10.353 1.00 0.00 C HETATM 1291 S44 PNS A 137 -17.663 21.176 10.077 1.00 0.00 S HETATM 0 H432 PNS A 137 -16.738 19.143 11.001 1.00 0.00 H new HETATM 0 H431 PNS A 137 -17.397 18.870 9.401 1.00 0.00 H new HETATM 0 H422 PNS A 137 -19.712 18.996 10.339 1.00 0.00 H new HETATM 0 H421 PNS A 137 -18.769 17.698 11.044 1.00 0.00 H new HETATM 0 H382 PNS A 137 -22.089 18.378 12.991 1.00 0.00 H new HETATM 0 H381 PNS A 137 -21.013 17.754 11.758 1.00 0.00 H new HETATM 0 H372 PNS A 137 -19.973 16.202 13.335 1.00 0.00 H new HETATM 0 H371 PNS A 137 -20.782 16.950 14.697 1.00 0.00 H new HETATM 0 H313 PNS A 137 -22.006 12.061 13.865 1.00 0.00 H new HETATM 0 H312 PNS A 137 -21.264 10.903 14.995 1.00 0.00 H new HETATM 0 H311 PNS A 137 -20.268 12.165 14.231 1.00 0.00 H new HETATM 0 H303 PNS A 137 -23.705 12.675 15.673 1.00 0.00 H new HETATM 0 H302 PNS A 137 -23.124 13.169 17.281 1.00 0.00 H new HETATM 0 H301 PNS A 137 -22.923 11.486 16.741 1.00 0.00 H new HETATM 0 H282 PNS A 137 -19.487 12.837 16.435 1.00 0.00 H new HETATM 0 H281 PNS A 137 -20.584 13.423 17.670 1.00 0.00 H new HETATM 0 H44 PNS A 137 -16.547 21.583 9.550 1.00 0.00 H new HETATM 0 H41 PNS A 137 -18.394 20.065 12.620 1.00 0.00 H new HETATM 0 H36 PNS A 137 -22.666 16.048 12.646 1.00 0.00 H new HETATM 0 H33 PNS A 137 -22.705 15.567 16.357 1.00 0.00 H new HETATM 0 H32 PNS A 137 -20.444 14.460 15.024 1.00 0.00 H new