USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 SER OG : rot -103:sc= 0.111 USER MOD Set 1.2: A 92 HIS :FLIP no HE2:sc= -6.53! C(o=-9.9!,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0188 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -130:sc= 0.0291 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0.00466 (180deg=0.00155) USER MOD Single : A 18 GLN : amide:sc= -0.867 K(o=-0.87,f=-1.6) USER MOD Single : A 30 CYS SG : rot 180:sc= -3.09! USER MOD Single : A 33 SER OG : rot -13:sc= 0.358! USER MOD Single : A 37 THR OG1 : rot -120:sc= -1.91! USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 28:sc= 0.118 USER MOD Single : A 52 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= -0.796 (180deg=-2.88!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 24:sc= 0.466 USER MOD Single : A 62 MET CE :methyl -155:sc= -0.646 (180deg=-2.01!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= -0.064 (180deg=-0.4) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 47:sc= -4.97! USER MOD Single : A 85 SER OG : rot -170:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -100:sc= -0.0158 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 42:sc= 0.606 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.394 29.655 11.454 1.00 0.00 N ATOM 2 CA GLY A 1 12.135 29.474 10.755 1.00 0.00 C ATOM 3 C GLY A 1 12.261 28.544 9.565 1.00 0.00 C ATOM 4 O GLY A 1 13.055 27.604 9.585 1.00 0.00 O ATOM 0 H1 GLY A 1 13.233 29.599 12.480 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.061 28.910 11.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.792 30.586 11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.393 29.075 11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.768 30.443 10.417 1.00 0.00 H new ATOM 8 N SER A 2 11.475 28.805 8.525 1.00 0.00 N ATOM 9 CA SER A 2 11.499 27.981 7.323 1.00 0.00 C ATOM 10 C SER A 2 12.392 28.604 6.254 1.00 0.00 C ATOM 11 O SER A 2 12.309 29.801 5.981 1.00 0.00 O ATOM 12 CB SER A 2 10.081 27.798 6.776 1.00 0.00 C ATOM 13 OG SER A 2 9.437 26.694 7.387 1.00 0.00 O ATOM 0 H SER A 2 10.814 29.581 8.491 1.00 0.00 H new ATOM 0 HA SER A 2 11.907 27.006 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.501 28.704 6.951 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.121 27.648 5.697 1.00 0.00 H new ATOM 0 HG SER A 2 8.533 26.600 7.022 1.00 0.00 H new ATOM 19 N SER A 3 13.246 27.782 5.653 1.00 0.00 N ATOM 20 CA SER A 3 14.158 28.251 4.616 1.00 0.00 C ATOM 21 C SER A 3 13.449 28.338 3.268 1.00 0.00 C ATOM 22 O SER A 3 13.489 29.369 2.598 1.00 0.00 O ATOM 23 CB SER A 3 15.367 27.320 4.511 1.00 0.00 C ATOM 24 OG SER A 3 16.403 27.913 3.747 1.00 0.00 O ATOM 0 H SER A 3 13.326 26.788 5.866 1.00 0.00 H new ATOM 0 HA SER A 3 14.500 29.249 4.892 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.736 27.084 5.509 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.066 26.378 4.052 1.00 0.00 H new ATOM 0 HG SER A 3 17.165 27.299 3.696 1.00 0.00 H new ATOM 30 N GLY A 4 12.801 27.245 2.876 1.00 0.00 N ATOM 31 CA GLY A 4 12.093 27.216 1.609 1.00 0.00 C ATOM 32 C GLY A 4 12.661 26.189 0.650 1.00 0.00 C ATOM 33 O GLY A 4 13.872 25.973 0.607 1.00 0.00 O ATOM 0 H GLY A 4 12.754 26.379 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.041 26.997 1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.139 28.203 1.148 1.00 0.00 H new ATOM 37 N SER A 5 11.785 25.552 -0.120 1.00 0.00 N ATOM 38 CA SER A 5 12.205 24.538 -1.079 1.00 0.00 C ATOM 39 C SER A 5 11.599 24.805 -2.453 1.00 0.00 C ATOM 40 O SER A 5 10.770 25.700 -2.615 1.00 0.00 O ATOM 41 CB SER A 5 11.800 23.146 -0.592 1.00 0.00 C ATOM 42 OG SER A 5 12.353 22.870 0.683 1.00 0.00 O ATOM 0 H SER A 5 10.779 25.721 -0.098 1.00 0.00 H new ATOM 0 HA SER A 5 13.291 24.583 -1.165 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.713 23.077 -0.543 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.136 22.395 -1.307 1.00 0.00 H new ATOM 0 HG SER A 5 12.795 21.996 0.665 1.00 0.00 H new ATOM 48 N SER A 6 12.019 24.021 -3.441 1.00 0.00 N ATOM 49 CA SER A 6 11.521 24.174 -4.803 1.00 0.00 C ATOM 50 C SER A 6 10.042 24.551 -4.802 1.00 0.00 C ATOM 51 O SER A 6 9.603 25.389 -5.588 1.00 0.00 O ATOM 52 CB SER A 6 11.727 22.880 -5.593 1.00 0.00 C ATOM 53 OG SER A 6 11.220 21.763 -4.883 1.00 0.00 O ATOM 0 H SER A 6 12.703 23.273 -3.324 1.00 0.00 H new ATOM 0 HA SER A 6 12.083 24.977 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.229 22.957 -6.560 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.789 22.737 -5.792 1.00 0.00 H new ATOM 0 HG SER A 6 11.362 20.949 -5.409 1.00 0.00 H new ATOM 59 N GLY A 7 9.279 23.925 -3.911 1.00 0.00 N ATOM 60 CA GLY A 7 7.858 24.207 -3.823 1.00 0.00 C ATOM 61 C GLY A 7 7.156 23.336 -2.801 1.00 0.00 C ATOM 62 O GLY A 7 7.769 22.822 -1.865 1.00 0.00 O ATOM 0 H GLY A 7 9.619 23.228 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.714 25.256 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.400 24.056 -4.800 1.00 0.00 H new ATOM 66 N PRO A 8 5.838 23.159 -2.974 1.00 0.00 N ATOM 67 CA PRO A 8 5.022 22.344 -2.068 1.00 0.00 C ATOM 68 C PRO A 8 5.336 20.857 -2.186 1.00 0.00 C ATOM 69 O PRO A 8 6.137 20.446 -3.025 1.00 0.00 O ATOM 70 CB PRO A 8 3.590 22.627 -2.529 1.00 0.00 C ATOM 71 CG PRO A 8 3.724 23.025 -3.958 1.00 0.00 C ATOM 72 CD PRO A 8 5.041 23.741 -4.067 1.00 0.00 C ATOM 0 HA PRO A 8 5.204 22.591 -1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.958 21.746 -2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.133 23.421 -1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.699 22.152 -4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.901 23.673 -4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.509 23.576 -5.037 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.924 24.818 -3.949 1.00 0.00 H new ATOM 80 N ALA A 9 4.699 20.054 -1.340 1.00 0.00 N ATOM 81 CA ALA A 9 4.909 18.611 -1.351 1.00 0.00 C ATOM 82 C ALA A 9 3.617 17.871 -1.682 1.00 0.00 C ATOM 83 O ALA A 9 3.389 16.759 -1.208 1.00 0.00 O ATOM 84 CB ALA A 9 5.457 18.147 -0.010 1.00 0.00 C ATOM 0 H ALA A 9 4.033 20.378 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 9 5.638 18.381 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.609 17.068 -0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.408 18.643 0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.748 18.397 0.779 1.00 0.00 H new ATOM 90 N ALA A 10 2.774 18.497 -2.497 1.00 0.00 N ATOM 91 CA ALA A 10 1.505 17.897 -2.891 1.00 0.00 C ATOM 92 C ALA A 10 1.729 16.641 -3.727 1.00 0.00 C ATOM 93 O ALA A 10 2.845 16.369 -4.169 1.00 0.00 O ATOM 94 CB ALA A 10 0.662 18.903 -3.661 1.00 0.00 C ATOM 0 H ALA A 10 2.947 19.419 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 10 0.970 17.609 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.283 18.441 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.465 19.770 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.199 19.219 -4.555 1.00 0.00 H new ATOM 100 N ILE A 11 0.661 15.880 -3.938 1.00 0.00 N ATOM 101 CA ILE A 11 0.741 14.653 -4.721 1.00 0.00 C ATOM 102 C ILE A 11 0.337 14.899 -6.171 1.00 0.00 C ATOM 103 O ILE A 11 -0.738 15.434 -6.444 1.00 0.00 O ATOM 104 CB ILE A 11 -0.155 13.548 -4.131 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.138 13.366 -2.640 1.00 0.00 C ATOM 106 CG2 ILE A 11 0.051 12.241 -4.881 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.943 12.611 -1.899 1.00 0.00 C ATOM 0 H ILE A 11 -0.270 16.091 -3.578 1.00 0.00 H new ATOM 0 HA ILE A 11 1.780 14.324 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.197 13.847 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.083 12.836 -2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.265 14.346 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.589 11.470 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.203 12.380 -5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.094 11.934 -4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.668 12.520 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.886 13.151 -1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.055 11.617 -2.332 1.00 0.00 H new ATOM 119 N ILE A 12 1.204 14.502 -7.097 1.00 0.00 N ATOM 120 CA ILE A 12 0.936 14.677 -8.519 1.00 0.00 C ATOM 121 C ILE A 12 0.479 13.369 -9.157 1.00 0.00 C ATOM 122 O ILE A 12 -0.366 13.364 -10.052 1.00 0.00 O ATOM 123 CB ILE A 12 2.179 15.193 -9.267 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.454 14.665 -8.607 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.184 16.714 -9.299 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.948 15.529 -7.468 1.00 0.00 C ATOM 0 H ILE A 12 2.098 14.057 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 12 0.140 15.417 -8.601 1.00 0.00 H new ATOM 0 HB ILE A 12 2.145 14.827 -10.293 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.270 13.657 -8.234 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.238 14.588 -9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.069 17.064 -9.831 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.289 17.070 -9.809 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.198 17.099 -8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.855 15.094 -7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.164 16.531 -7.839 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.181 15.586 -6.695 1.00 0.00 H new ATOM 138 N LYS A 13 1.042 12.261 -8.688 1.00 0.00 N ATOM 139 CA LYS A 13 0.691 10.945 -9.210 1.00 0.00 C ATOM 140 C LYS A 13 -0.088 10.140 -8.175 1.00 0.00 C ATOM 141 O LYS A 13 0.482 9.530 -7.270 1.00 0.00 O ATOM 142 CB LYS A 13 1.954 10.183 -9.619 1.00 0.00 C ATOM 143 CG LYS A 13 2.699 10.820 -10.779 1.00 0.00 C ATOM 144 CD LYS A 13 3.897 9.984 -11.198 1.00 0.00 C ATOM 145 CE LYS A 13 4.613 10.596 -12.393 1.00 0.00 C ATOM 146 NZ LYS A 13 5.886 9.886 -12.700 1.00 0.00 N ATOM 0 H LYS A 13 1.743 12.248 -7.947 1.00 0.00 H new ATOM 0 HA LYS A 13 0.059 11.086 -10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.623 10.117 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.681 9.163 -9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.023 10.939 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.032 11.818 -10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.591 9.896 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.569 8.975 -11.447 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.959 10.562 -13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.822 11.647 -12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.275 10.242 -13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.570 10.053 -11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.703 8.866 -12.784 1.00 0.00 H new ATOM 160 N PRO A 14 -1.422 10.135 -8.311 1.00 0.00 N ATOM 161 CA PRO A 14 -2.308 9.406 -7.397 1.00 0.00 C ATOM 162 C PRO A 14 -2.188 7.894 -7.557 1.00 0.00 C ATOM 163 O PRO A 14 -1.781 7.401 -8.609 1.00 0.00 O ATOM 164 CB PRO A 14 -3.706 9.878 -7.807 1.00 0.00 C ATOM 165 CG PRO A 14 -3.563 10.292 -9.231 1.00 0.00 C ATOM 166 CD PRO A 14 -2.169 10.839 -9.366 1.00 0.00 C ATOM 0 HA PRO A 14 -2.066 9.601 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.441 9.080 -7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.042 10.708 -7.185 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.717 9.446 -9.901 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.305 11.046 -9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.753 10.640 -10.354 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.146 11.919 -9.222 1.00 0.00 H new ATOM 174 N LEU A 15 -2.545 7.163 -6.506 1.00 0.00 N ATOM 175 CA LEU A 15 -2.478 5.706 -6.530 1.00 0.00 C ATOM 176 C LEU A 15 -3.506 5.129 -7.497 1.00 0.00 C ATOM 177 O LEU A 15 -4.300 5.864 -8.085 1.00 0.00 O ATOM 178 CB LEU A 15 -2.709 5.143 -5.126 1.00 0.00 C ATOM 179 CG LEU A 15 -1.864 5.757 -4.009 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.582 5.642 -2.673 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.500 5.086 -3.943 1.00 0.00 C ATOM 0 H LEU A 15 -2.884 7.555 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.484 5.418 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.761 5.274 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.518 4.070 -5.151 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.716 6.814 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.966 6.084 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.535 6.168 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.760 4.591 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.088 5.535 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.627 4.022 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.018 5.220 -4.893 1.00 0.00 H new ATOM 193 N GLU A 16 -3.487 3.810 -7.656 1.00 0.00 N ATOM 194 CA GLU A 16 -4.419 3.135 -8.551 1.00 0.00 C ATOM 195 C GLU A 16 -4.880 1.807 -7.957 1.00 0.00 C ATOM 196 O GLU A 16 -4.104 1.100 -7.315 1.00 0.00 O ATOM 197 CB GLU A 16 -3.769 2.897 -9.916 1.00 0.00 C ATOM 198 CG GLU A 16 -3.351 4.175 -10.622 1.00 0.00 C ATOM 199 CD GLU A 16 -1.935 4.596 -10.278 1.00 0.00 C ATOM 200 OE1 GLU A 16 -1.480 4.284 -9.157 1.00 0.00 O ATOM 201 OE2 GLU A 16 -1.283 5.238 -11.127 1.00 0.00 O ATOM 0 H GLU A 16 -2.836 3.187 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.290 3.778 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.894 2.261 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.467 2.353 -10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.432 4.033 -11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.040 4.976 -10.353 1.00 0.00 H new ATOM 208 N ASP A 17 -6.148 1.477 -8.175 1.00 0.00 N ATOM 209 CA ASP A 17 -6.714 0.234 -7.662 1.00 0.00 C ATOM 210 C ASP A 17 -5.759 -0.933 -7.892 1.00 0.00 C ATOM 211 O ASP A 17 -5.079 -0.998 -8.916 1.00 0.00 O ATOM 212 CB ASP A 17 -8.060 -0.052 -8.329 1.00 0.00 C ATOM 213 CG ASP A 17 -9.125 0.954 -7.939 1.00 0.00 C ATOM 214 OD1 ASP A 17 -9.007 1.549 -6.847 1.00 0.00 O ATOM 215 OD2 ASP A 17 -10.077 1.145 -8.724 1.00 0.00 O ATOM 0 H ASP A 17 -6.804 2.052 -8.703 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.867 0.348 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.935 -0.043 -9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.392 -1.053 -8.055 1.00 0.00 H new ATOM 220 N GLN A 18 -5.715 -1.852 -6.933 1.00 0.00 N ATOM 221 CA GLN A 18 -4.842 -3.016 -7.032 1.00 0.00 C ATOM 222 C GLN A 18 -5.653 -4.308 -7.009 1.00 0.00 C ATOM 223 O GLN A 18 -6.621 -4.431 -6.259 1.00 0.00 O ATOM 224 CB GLN A 18 -3.827 -3.017 -5.887 1.00 0.00 C ATOM 225 CG GLN A 18 -2.914 -1.802 -5.883 1.00 0.00 C ATOM 226 CD GLN A 18 -1.914 -1.819 -7.023 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.785 -2.815 -7.736 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.201 -0.713 -7.203 1.00 0.00 N ATOM 0 H GLN A 18 -6.273 -1.813 -6.080 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.309 -2.960 -7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.362 -3.062 -4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.218 -3.919 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.519 -0.898 -5.949 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.378 -1.758 -4.935 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.340 0.089 -6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.514 -0.666 -7.956 1.00 0.00 H new ATOM 237 N TRP A 19 -5.250 -5.267 -7.835 1.00 0.00 N ATOM 238 CA TRP A 19 -5.941 -6.550 -7.910 1.00 0.00 C ATOM 239 C TRP A 19 -4.967 -7.705 -7.703 1.00 0.00 C ATOM 240 O TRP A 19 -4.256 -8.103 -8.626 1.00 0.00 O ATOM 241 CB TRP A 19 -6.645 -6.695 -9.260 1.00 0.00 C ATOM 242 CG TRP A 19 -7.942 -5.948 -9.337 1.00 0.00 C ATOM 243 CD1 TRP A 19 -9.152 -6.355 -8.853 1.00 0.00 C ATOM 244 CD2 TRP A 19 -8.157 -4.666 -9.936 1.00 0.00 C ATOM 245 NE1 TRP A 19 -10.107 -5.402 -9.115 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.522 -4.356 -9.777 1.00 0.00 C ATOM 247 CE3 TRP A 19 -7.330 -3.748 -10.588 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -10.075 -3.169 -10.249 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.881 -2.570 -11.056 1.00 0.00 C ATOM 250 CH2 TRP A 19 -9.242 -2.288 -10.884 1.00 0.00 C ATOM 0 H TRP A 19 -4.450 -5.181 -8.461 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.686 -6.581 -7.115 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.981 -6.339 -10.048 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.830 -7.752 -9.453 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.332 -7.288 -8.340 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -11.092 -5.464 -8.858 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.279 -3.955 -10.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -11.125 -2.951 -10.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.251 -1.854 -11.563 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.642 -1.358 -11.260 1.00 0.00 H new ATOM 261 N VAL A 20 -4.939 -8.239 -6.487 1.00 0.00 N ATOM 262 CA VAL A 20 -4.053 -9.350 -6.160 1.00 0.00 C ATOM 263 C VAL A 20 -4.824 -10.498 -5.518 1.00 0.00 C ATOM 264 O VAL A 20 -6.048 -10.451 -5.407 1.00 0.00 O ATOM 265 CB VAL A 20 -2.926 -8.907 -5.208 1.00 0.00 C ATOM 266 CG1 VAL A 20 -2.148 -7.744 -5.804 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.494 -8.537 -3.846 1.00 0.00 C ATOM 0 H VAL A 20 -5.520 -7.920 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.614 -9.691 -7.097 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.238 -9.742 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.356 -7.446 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.708 -8.049 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.821 -6.903 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.684 -8.226 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.205 -7.718 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.001 -9.401 -3.416 1.00 0.00 H new ATOM 277 N ALA A 21 -4.098 -11.528 -5.097 1.00 0.00 N ATOM 278 CA ALA A 21 -4.714 -12.688 -4.463 1.00 0.00 C ATOM 279 C ALA A 21 -4.452 -12.696 -2.961 1.00 0.00 C ATOM 280 O ALA A 21 -3.546 -12.030 -2.460 1.00 0.00 O ATOM 281 CB ALA A 21 -4.198 -13.972 -5.098 1.00 0.00 C ATOM 0 H ALA A 21 -3.083 -11.583 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.791 -12.627 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.666 -14.830 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.441 -13.976 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.117 -14.031 -4.973 1.00 0.00 H new ATOM 287 N PRO A 22 -5.264 -13.467 -2.222 1.00 0.00 N ATOM 288 CA PRO A 22 -5.140 -13.580 -0.766 1.00 0.00 C ATOM 289 C PRO A 22 -3.883 -14.334 -0.348 1.00 0.00 C ATOM 290 O PRO A 22 -3.916 -15.545 -0.131 1.00 0.00 O ATOM 291 CB PRO A 22 -6.392 -14.363 -0.363 1.00 0.00 C ATOM 292 CG PRO A 22 -6.759 -15.142 -1.579 1.00 0.00 C ATOM 293 CD PRO A 22 -6.366 -14.289 -2.752 1.00 0.00 C ATOM 0 HA PRO A 22 -5.058 -12.604 -0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.192 -15.021 0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.198 -13.694 -0.063 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.238 -16.099 -1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.827 -15.360 -1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.044 -14.894 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.197 -13.673 -3.097 1.00 0.00 H new ATOM 301 N GLY A 23 -2.773 -13.610 -0.237 1.00 0.00 N ATOM 302 CA GLY A 23 -1.520 -14.229 0.155 1.00 0.00 C ATOM 303 C GLY A 23 -0.323 -13.596 -0.526 1.00 0.00 C ATOM 304 O GLY A 23 0.821 -13.897 -0.190 1.00 0.00 O ATOM 0 H GLY A 23 -2.719 -12.606 -0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.402 -14.151 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.552 -15.291 -0.087 1.00 0.00 H new ATOM 308 N GLU A 24 -0.588 -12.717 -1.488 1.00 0.00 N ATOM 309 CA GLU A 24 0.478 -12.043 -2.220 1.00 0.00 C ATOM 310 C GLU A 24 0.820 -10.704 -1.572 1.00 0.00 C ATOM 311 O GLU A 24 0.168 -10.279 -0.618 1.00 0.00 O ATOM 312 CB GLU A 24 0.067 -11.826 -3.678 1.00 0.00 C ATOM 313 CG GLU A 24 -0.561 -13.050 -4.322 1.00 0.00 C ATOM 314 CD GLU A 24 -0.335 -13.101 -5.821 1.00 0.00 C ATOM 315 OE1 GLU A 24 -0.436 -12.040 -6.472 1.00 0.00 O ATOM 316 OE2 GLU A 24 -0.058 -14.201 -6.342 1.00 0.00 O ATOM 0 H GLU A 24 -1.530 -12.456 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 24 1.363 -12.678 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.639 -10.997 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.945 -11.533 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.147 -13.949 -3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.632 -13.053 -4.119 1.00 0.00 H new ATOM 323 N ASP A 25 1.848 -10.046 -2.096 1.00 0.00 N ATOM 324 CA ASP A 25 2.278 -8.755 -1.570 1.00 0.00 C ATOM 325 C ASP A 25 1.805 -7.617 -2.469 1.00 0.00 C ATOM 326 O ASP A 25 1.775 -7.750 -3.692 1.00 0.00 O ATOM 327 CB ASP A 25 3.801 -8.717 -1.437 1.00 0.00 C ATOM 328 CG ASP A 25 4.504 -9.256 -2.667 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.762 -10.477 -2.715 1.00 0.00 O ATOM 330 OD2 ASP A 25 4.798 -8.457 -3.581 1.00 0.00 O ATOM 0 H ASP A 25 2.399 -10.385 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 25 1.831 -8.625 -0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.122 -7.690 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.101 -9.300 -0.566 1.00 0.00 H new ATOM 335 N VAL A 26 1.435 -6.499 -1.853 1.00 0.00 N ATOM 336 CA VAL A 26 0.963 -5.337 -2.597 1.00 0.00 C ATOM 337 C VAL A 26 1.859 -4.127 -2.354 1.00 0.00 C ATOM 338 O VAL A 26 2.383 -3.942 -1.256 1.00 0.00 O ATOM 339 CB VAL A 26 -0.484 -4.975 -2.214 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.871 -3.626 -2.801 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.444 -6.061 -2.676 1.00 0.00 C ATOM 0 H VAL A 26 1.453 -6.373 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 26 0.996 -5.603 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.547 -4.903 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.897 -3.387 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.201 -2.857 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.793 -3.666 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.462 -5.789 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.380 -6.166 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.179 -7.007 -2.203 1.00 0.00 H new ATOM 351 N GLU A 27 2.030 -3.307 -3.386 1.00 0.00 N ATOM 352 CA GLU A 27 2.863 -2.115 -3.283 1.00 0.00 C ATOM 353 C GLU A 27 2.176 -0.914 -3.927 1.00 0.00 C ATOM 354 O GLU A 27 1.889 -0.916 -5.124 1.00 0.00 O ATOM 355 CB GLU A 27 4.220 -2.356 -3.947 1.00 0.00 C ATOM 356 CG GLU A 27 5.002 -3.505 -3.334 1.00 0.00 C ATOM 357 CD GLU A 27 6.263 -3.832 -4.110 1.00 0.00 C ATOM 358 OE1 GLU A 27 7.318 -3.236 -3.809 1.00 0.00 O ATOM 359 OE2 GLU A 27 6.194 -4.685 -5.020 1.00 0.00 O ATOM 0 H GLU A 27 1.603 -3.446 -4.302 1.00 0.00 H new ATOM 0 HA GLU A 27 3.017 -1.900 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.066 -2.557 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.815 -1.445 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.267 -3.252 -2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.367 -4.390 -3.291 1.00 0.00 H new ATOM 366 N LEU A 28 1.914 0.111 -3.123 1.00 0.00 N ATOM 367 CA LEU A 28 1.260 1.320 -3.612 1.00 0.00 C ATOM 368 C LEU A 28 2.223 2.503 -3.602 1.00 0.00 C ATOM 369 O LEU A 28 2.398 3.164 -2.578 1.00 0.00 O ATOM 370 CB LEU A 28 0.031 1.640 -2.759 1.00 0.00 C ATOM 371 CG LEU A 28 -1.056 0.565 -2.718 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.825 0.634 -1.407 1.00 0.00 C ATOM 373 CD2 LEU A 28 -2.000 0.717 -3.901 1.00 0.00 C ATOM 0 H LEU A 28 2.144 0.129 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 28 0.944 1.142 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.362 1.833 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.413 2.564 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.578 -0.412 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.594 -0.138 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.140 0.476 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.293 1.614 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.767 -0.056 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.472 1.699 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.438 0.617 -4.830 1.00 0.00 H new ATOM 385 N ARG A 29 2.843 2.764 -4.747 1.00 0.00 N ATOM 386 CA ARG A 29 3.787 3.868 -4.870 1.00 0.00 C ATOM 387 C ARG A 29 3.076 5.147 -5.302 1.00 0.00 C ATOM 388 O ARG A 29 2.038 5.099 -5.964 1.00 0.00 O ATOM 389 CB ARG A 29 4.885 3.519 -5.876 1.00 0.00 C ATOM 390 CG ARG A 29 6.001 2.669 -5.290 1.00 0.00 C ATOM 391 CD ARG A 29 6.797 1.966 -6.378 1.00 0.00 C ATOM 392 NE ARG A 29 5.964 1.063 -7.168 1.00 0.00 N ATOM 393 CZ ARG A 29 6.451 0.195 -8.048 1.00 0.00 C ATOM 394 NH1 ARG A 29 7.758 0.112 -8.249 1.00 0.00 N ATOM 395 NH2 ARG A 29 5.628 -0.593 -8.729 1.00 0.00 N ATOM 0 H ARG A 29 2.709 2.226 -5.603 1.00 0.00 H new ATOM 0 HA ARG A 29 4.239 4.036 -3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.440 2.989 -6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.311 4.441 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.667 3.298 -4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.578 1.928 -4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.249 2.710 -7.034 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.613 1.403 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 29 4.953 1.101 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.394 0.716 -7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.129 -0.556 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.621 -0.532 -8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.002 -1.259 -9.405 1.00 0.00 H new ATOM 409 N CYS A 30 3.639 6.288 -4.922 1.00 0.00 N ATOM 410 CA CYS A 30 3.058 7.581 -5.269 1.00 0.00 C ATOM 411 C CYS A 30 4.146 8.588 -5.624 1.00 0.00 C ATOM 412 O CYS A 30 5.333 8.264 -5.614 1.00 0.00 O ATOM 413 CB CYS A 30 2.214 8.111 -4.109 1.00 0.00 C ATOM 414 SG CYS A 30 3.153 9.051 -2.882 1.00 0.00 S ATOM 0 H CYS A 30 4.497 6.345 -4.374 1.00 0.00 H new ATOM 0 HA CYS A 30 2.419 7.443 -6.141 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.423 8.745 -4.509 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.728 7.270 -3.613 1.00 0.00 H new ATOM 0 HG CYS A 30 2.353 9.459 -1.942 1.00 0.00 H new ATOM 420 N GLU A 31 3.732 9.812 -5.940 1.00 0.00 N ATOM 421 CA GLU A 31 4.672 10.866 -6.302 1.00 0.00 C ATOM 422 C GLU A 31 4.353 12.159 -5.557 1.00 0.00 C ATOM 423 O GLU A 31 3.188 12.518 -5.385 1.00 0.00 O ATOM 424 CB GLU A 31 4.640 11.113 -7.811 1.00 0.00 C ATOM 425 CG GLU A 31 5.841 11.888 -8.327 1.00 0.00 C ATOM 426 CD GLU A 31 7.012 10.988 -8.672 1.00 0.00 C ATOM 427 OE1 GLU A 31 7.584 10.376 -7.745 1.00 0.00 O ATOM 428 OE2 GLU A 31 7.356 10.895 -9.869 1.00 0.00 O ATOM 0 H GLU A 31 2.753 10.097 -5.952 1.00 0.00 H new ATOM 0 HA GLU A 31 5.672 10.539 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.588 10.154 -8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.731 11.659 -8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.550 12.455 -9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.153 12.611 -7.574 1.00 0.00 H new ATOM 435 N LEU A 32 5.396 12.854 -5.117 1.00 0.00 N ATOM 436 CA LEU A 32 5.228 14.107 -4.389 1.00 0.00 C ATOM 437 C LEU A 32 6.037 15.226 -5.039 1.00 0.00 C ATOM 438 O LEU A 32 7.164 15.012 -5.485 1.00 0.00 O ATOM 439 CB LEU A 32 5.656 13.934 -2.931 1.00 0.00 C ATOM 440 CG LEU A 32 5.273 12.608 -2.272 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.252 12.262 -1.161 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.852 12.671 -1.732 1.00 0.00 C ATOM 0 H LEU A 32 6.367 12.571 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 32 4.173 14.379 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.739 14.045 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.222 14.746 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 32 5.319 11.823 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.964 11.316 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.256 12.174 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.239 13.048 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.597 11.719 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.779 13.468 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.160 12.872 -2.550 1.00 0.00 H new ATOM 454 N SER A 33 5.454 16.420 -5.086 1.00 0.00 N ATOM 455 CA SER A 33 6.119 17.572 -5.682 1.00 0.00 C ATOM 456 C SER A 33 7.369 17.947 -4.891 1.00 0.00 C ATOM 457 O SER A 33 8.182 18.755 -5.340 1.00 0.00 O ATOM 458 CB SER A 33 5.163 18.765 -5.741 1.00 0.00 C ATOM 459 OG SER A 33 5.844 19.945 -6.133 1.00 0.00 O ATOM 0 H SER A 33 4.523 16.614 -4.718 1.00 0.00 H new ATOM 0 HA SER A 33 6.418 17.304 -6.695 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.358 18.555 -6.445 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.702 18.915 -4.765 1.00 0.00 H new ATOM 0 HG SER A 33 6.811 19.796 -6.084 1.00 0.00 H new ATOM 465 N ARG A 34 7.516 17.352 -3.712 1.00 0.00 N ATOM 466 CA ARG A 34 8.665 17.623 -2.857 1.00 0.00 C ATOM 467 C ARG A 34 8.962 16.432 -1.951 1.00 0.00 C ATOM 468 O ARG A 34 8.062 15.884 -1.315 1.00 0.00 O ATOM 469 CB ARG A 34 8.415 18.872 -2.010 1.00 0.00 C ATOM 470 CG ARG A 34 9.531 19.173 -1.023 1.00 0.00 C ATOM 471 CD ARG A 34 9.017 19.946 0.181 1.00 0.00 C ATOM 472 NE ARG A 34 10.105 20.516 0.971 1.00 0.00 N ATOM 473 CZ ARG A 34 9.935 21.060 2.171 1.00 0.00 C ATOM 474 NH1 ARG A 34 8.727 21.108 2.716 1.00 0.00 N ATOM 475 NH2 ARG A 34 10.975 21.558 2.829 1.00 0.00 N ATOM 0 H ARG A 34 6.853 16.679 -3.327 1.00 0.00 H new ATOM 0 HA ARG A 34 9.530 17.794 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.286 19.729 -2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.481 18.748 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.985 18.240 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.312 19.749 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.357 20.745 -0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.421 19.284 0.809 1.00 0.00 H new ATOM 0 HE ARG A 34 11.047 20.495 0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.925 20.727 2.214 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.600 21.526 3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.906 21.523 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.843 21.975 3.750 1.00 0.00 H new ATOM 489 N ALA A 35 10.230 16.037 -1.898 1.00 0.00 N ATOM 490 CA ALA A 35 10.646 14.913 -1.069 1.00 0.00 C ATOM 491 C ALA A 35 10.827 15.339 0.384 1.00 0.00 C ATOM 492 O ALA A 35 11.228 16.467 0.665 1.00 0.00 O ATOM 493 CB ALA A 35 11.933 14.307 -1.608 1.00 0.00 C ATOM 0 H ALA A 35 10.987 16.479 -2.420 1.00 0.00 H new ATOM 0 HA ALA A 35 9.860 14.158 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.232 13.469 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.771 13.956 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.720 15.061 -1.605 1.00 0.00 H new ATOM 499 N GLY A 36 10.528 14.428 1.305 1.00 0.00 N ATOM 500 CA GLY A 36 10.663 14.729 2.718 1.00 0.00 C ATOM 501 C GLY A 36 9.330 14.738 3.440 1.00 0.00 C ATOM 502 O GLY A 36 9.236 14.314 4.592 1.00 0.00 O ATOM 0 H GLY A 36 10.195 13.487 1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.319 13.992 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.142 15.701 2.835 1.00 0.00 H new ATOM 506 N THR A 37 8.295 15.224 2.762 1.00 0.00 N ATOM 507 CA THR A 37 6.961 15.290 3.346 1.00 0.00 C ATOM 508 C THR A 37 6.382 13.895 3.550 1.00 0.00 C ATOM 509 O THR A 37 6.187 13.132 2.603 1.00 0.00 O ATOM 510 CB THR A 37 6.001 16.108 2.463 1.00 0.00 C ATOM 511 OG1 THR A 37 6.442 17.468 2.388 1.00 0.00 O ATOM 512 CG2 THR A 37 4.584 16.059 3.015 1.00 0.00 C ATOM 0 H THR A 37 8.355 15.578 1.807 1.00 0.00 H new ATOM 0 HA THR A 37 7.063 15.784 4.312 1.00 0.00 H new ATOM 0 HB THR A 37 6.001 15.671 1.464 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.743 18.058 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.924 16.644 2.375 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.240 15.025 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.572 16.473 4.023 1.00 0.00 H new ATOM 520 N PRO A 38 6.098 13.550 4.815 1.00 0.00 N ATOM 521 CA PRO A 38 5.535 12.245 5.173 1.00 0.00 C ATOM 522 C PRO A 38 4.093 12.087 4.703 1.00 0.00 C ATOM 523 O PRO A 38 3.338 13.058 4.646 1.00 0.00 O ATOM 524 CB PRO A 38 5.603 12.236 6.702 1.00 0.00 C ATOM 525 CG PRO A 38 5.584 13.674 7.090 1.00 0.00 C ATOM 526 CD PRO A 38 6.305 14.409 5.993 1.00 0.00 C ATOM 0 HA PRO A 38 6.078 11.425 4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.758 11.698 7.133 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.508 11.742 7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.561 14.036 7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.077 13.826 8.050 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.894 15.407 5.840 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.364 14.532 6.220 1.00 0.00 H new ATOM 534 N VAL A 39 3.716 10.858 4.367 1.00 0.00 N ATOM 535 CA VAL A 39 2.363 10.573 3.904 1.00 0.00 C ATOM 536 C VAL A 39 1.549 9.868 4.983 1.00 0.00 C ATOM 537 O VAL A 39 2.090 9.107 5.786 1.00 0.00 O ATOM 538 CB VAL A 39 2.376 9.700 2.635 1.00 0.00 C ATOM 539 CG1 VAL A 39 2.639 8.244 2.990 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.066 9.844 1.876 1.00 0.00 C ATOM 0 H VAL A 39 4.328 10.043 4.407 1.00 0.00 H new ATOM 0 HA VAL A 39 1.900 11.532 3.672 1.00 0.00 H new ATOM 0 HB VAL A 39 3.184 10.042 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.644 7.643 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.606 8.159 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.856 7.885 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.093 9.220 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.240 9.529 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.925 10.886 1.587 1.00 0.00 H new ATOM 550 N HIS A 40 0.245 10.126 4.997 1.00 0.00 N ATOM 551 CA HIS A 40 -0.645 9.515 5.978 1.00 0.00 C ATOM 552 C HIS A 40 -1.510 8.438 5.331 1.00 0.00 C ATOM 553 O HIS A 40 -2.425 8.741 4.565 1.00 0.00 O ATOM 554 CB HIS A 40 -1.533 10.579 6.624 1.00 0.00 C ATOM 555 CG HIS A 40 -1.966 10.233 8.016 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.239 11.184 8.977 1.00 0.00 N ATOM 557 CD2 HIS A 40 -2.174 9.033 8.606 1.00 0.00 C ATOM 558 CE1 HIS A 40 -2.595 10.583 10.098 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.564 9.277 9.900 1.00 0.00 N ATOM 0 H HIS A 40 -0.219 10.754 4.340 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.031 9.048 6.748 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.994 11.526 6.645 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.417 10.728 6.004 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.055 8.064 8.145 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.866 11.076 11.020 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.792 8.566 10.595 1.00 0.00 H new ATOM 568 N TRP A 41 -1.213 7.182 5.642 1.00 0.00 N ATOM 569 CA TRP A 41 -1.964 6.060 5.090 1.00 0.00 C ATOM 570 C TRP A 41 -3.181 5.742 5.951 1.00 0.00 C ATOM 571 O TRP A 41 -3.050 5.402 7.128 1.00 0.00 O ATOM 572 CB TRP A 41 -1.067 4.826 4.977 1.00 0.00 C ATOM 573 CG TRP A 41 0.043 4.988 3.984 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.319 5.402 4.242 1.00 0.00 C ATOM 575 CD2 TRP A 41 -0.023 4.739 2.576 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.049 5.427 3.078 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.249 5.024 2.042 1.00 0.00 C ATOM 578 CE3 TRP A 41 -1.033 4.303 1.714 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.535 4.886 0.686 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.748 4.167 0.368 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.528 4.457 -0.135 1.00 0.00 C ATOM 0 H TRP A 41 -0.458 6.914 6.273 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.310 6.341 4.096 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.640 4.605 5.955 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.676 3.968 4.694 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.698 5.670 5.217 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.028 5.701 2.998 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.019 4.076 2.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.517 5.110 0.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.521 3.832 -0.307 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.720 4.339 -1.191 1.00 0.00 H new ATOM 592 N LEU A 42 -4.365 5.855 5.359 1.00 0.00 N ATOM 593 CA LEU A 42 -5.607 5.579 6.073 1.00 0.00 C ATOM 594 C LEU A 42 -6.372 4.436 5.414 1.00 0.00 C ATOM 595 O LEU A 42 -6.560 4.421 4.197 1.00 0.00 O ATOM 596 CB LEU A 42 -6.481 6.833 6.119 1.00 0.00 C ATOM 597 CG LEU A 42 -5.888 8.039 6.850 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.359 9.335 6.210 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.260 8.004 8.325 1.00 0.00 C ATOM 0 H LEU A 42 -4.491 6.136 4.387 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.354 5.282 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.709 7.130 5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.427 6.575 6.594 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.802 7.992 6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.927 10.182 6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.042 9.362 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.446 9.391 6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.830 8.869 8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.345 8.027 8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.872 7.091 8.776 1.00 0.00 H new ATOM 611 N LYS A 43 -6.814 3.481 6.225 1.00 0.00 N ATOM 612 CA LYS A 43 -7.562 2.335 5.722 1.00 0.00 C ATOM 613 C LYS A 43 -8.994 2.347 6.247 1.00 0.00 C ATOM 614 O LYS A 43 -9.241 2.030 7.411 1.00 0.00 O ATOM 615 CB LYS A 43 -6.870 1.031 6.127 1.00 0.00 C ATOM 616 CG LYS A 43 -7.125 -0.116 5.164 1.00 0.00 C ATOM 617 CD LYS A 43 -6.640 -1.439 5.734 1.00 0.00 C ATOM 618 CE LYS A 43 -7.456 -2.607 5.201 1.00 0.00 C ATOM 619 NZ LYS A 43 -8.637 -2.897 6.061 1.00 0.00 N ATOM 0 H LYS A 43 -6.667 3.478 7.234 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.592 2.401 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.796 1.205 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.210 0.742 7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.191 -0.181 4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.619 0.082 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.589 -1.582 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.706 -1.414 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.791 -2.384 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.825 -3.493 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.167 -3.699 5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.317 -3.135 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.253 -2.060 6.099 1.00 0.00 H new ATOM 633 N ASP A 44 -9.933 2.714 5.382 1.00 0.00 N ATOM 634 CA ASP A 44 -11.341 2.765 5.758 1.00 0.00 C ATOM 635 C ASP A 44 -11.576 3.809 6.846 1.00 0.00 C ATOM 636 O ASP A 44 -12.278 3.553 7.824 1.00 0.00 O ATOM 637 CB ASP A 44 -11.812 1.392 6.242 1.00 0.00 C ATOM 638 CG ASP A 44 -11.850 0.367 5.126 1.00 0.00 C ATOM 639 OD1 ASP A 44 -12.823 0.378 4.342 1.00 0.00 O ATOM 640 OD2 ASP A 44 -10.907 -0.446 5.034 1.00 0.00 O ATOM 0 H ASP A 44 -9.745 2.981 4.416 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.916 3.049 4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.148 1.041 7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.806 1.485 6.680 1.00 0.00 H new ATOM 645 N ARG A 45 -10.983 4.985 6.668 1.00 0.00 N ATOM 646 CA ARG A 45 -11.126 6.066 7.634 1.00 0.00 C ATOM 647 C ARG A 45 -10.407 5.729 8.938 1.00 0.00 C ATOM 648 O ARG A 45 -10.771 6.221 10.006 1.00 0.00 O ATOM 649 CB ARG A 45 -12.605 6.340 7.911 1.00 0.00 C ATOM 650 CG ARG A 45 -13.426 6.580 6.655 1.00 0.00 C ATOM 651 CD ARG A 45 -14.583 7.530 6.918 1.00 0.00 C ATOM 652 NE ARG A 45 -15.821 6.815 7.217 1.00 0.00 N ATOM 653 CZ ARG A 45 -16.115 6.326 8.417 1.00 0.00 C ATOM 654 NH1 ARG A 45 -15.265 6.474 9.424 1.00 0.00 N ATOM 655 NH2 ARG A 45 -17.262 5.687 8.611 1.00 0.00 N ATOM 0 H ARG A 45 -10.399 5.213 5.863 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.672 6.961 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.027 5.494 8.454 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.689 7.211 8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.786 6.992 5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.811 5.630 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.332 8.185 7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.734 8.167 6.047 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.496 6.684 6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.383 6.964 9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.494 6.097 10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.918 5.571 7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.487 5.312 9.532 1.00 0.00 H new ATOM 669 N LYS A 46 -9.385 4.885 8.842 1.00 0.00 N ATOM 670 CA LYS A 46 -8.614 4.481 10.012 1.00 0.00 C ATOM 671 C LYS A 46 -7.182 4.998 9.925 1.00 0.00 C ATOM 672 O LYS A 46 -6.694 5.323 8.842 1.00 0.00 O ATOM 673 CB LYS A 46 -8.611 2.957 10.145 1.00 0.00 C ATOM 674 CG LYS A 46 -7.380 2.297 9.547 1.00 0.00 C ATOM 675 CD LYS A 46 -7.323 0.816 9.881 1.00 0.00 C ATOM 676 CE LYS A 46 -8.587 0.096 9.438 1.00 0.00 C ATOM 677 NZ LYS A 46 -8.586 -1.334 9.856 1.00 0.00 N ATOM 0 H LYS A 46 -9.071 4.467 7.966 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.085 4.915 10.894 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.678 2.693 11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.500 2.556 9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.386 2.427 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.483 2.790 9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.457 0.366 9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.188 0.689 10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.458 0.597 9.861 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.679 0.157 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.464 -1.790 9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.769 -1.819 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.524 -1.393 10.892 1.00 0.00 H new ATOM 691 N ALA A 47 -6.512 5.070 11.071 1.00 0.00 N ATOM 692 CA ALA A 47 -5.135 5.543 11.122 1.00 0.00 C ATOM 693 C ALA A 47 -4.151 4.379 11.059 1.00 0.00 C ATOM 694 O ALA A 47 -4.100 3.548 11.965 1.00 0.00 O ATOM 695 CB ALA A 47 -4.905 6.362 12.383 1.00 0.00 C ATOM 0 H ALA A 47 -6.901 4.807 11.976 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.963 6.177 10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.872 6.709 12.408 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.576 7.221 12.387 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.101 5.744 13.259 1.00 0.00 H new ATOM 701 N ILE A 48 -3.373 4.326 9.983 1.00 0.00 N ATOM 702 CA ILE A 48 -2.392 3.264 9.802 1.00 0.00 C ATOM 703 C ILE A 48 -1.039 3.661 10.385 1.00 0.00 C ATOM 704 O ILE A 48 -0.624 4.816 10.287 1.00 0.00 O ATOM 705 CB ILE A 48 -2.213 2.910 8.314 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.569 2.611 7.672 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.275 1.721 8.162 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.469 2.147 6.236 1.00 0.00 C ATOM 0 H ILE A 48 -3.403 5.006 9.224 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.772 2.390 10.331 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.771 3.765 7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.078 1.846 8.258 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.187 3.508 7.713 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.158 1.482 7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.303 1.968 8.588 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.692 0.860 8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.468 1.954 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.988 2.920 5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.878 1.232 6.190 1.00 0.00 H new ATOM 720 N ARG A 49 -0.356 2.695 10.990 1.00 0.00 N ATOM 721 CA ARG A 49 0.951 2.943 11.588 1.00 0.00 C ATOM 722 C ARG A 49 1.998 1.990 11.020 1.00 0.00 C ATOM 723 O ARG A 49 1.780 0.780 10.947 1.00 0.00 O ATOM 724 CB ARG A 49 0.877 2.788 13.108 1.00 0.00 C ATOM 725 CG ARG A 49 0.001 3.830 13.784 1.00 0.00 C ATOM 726 CD ARG A 49 0.353 3.984 15.256 1.00 0.00 C ATOM 727 NE ARG A 49 -0.736 4.586 16.019 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.631 4.943 17.295 1.00 0.00 C ATOM 729 NH1 ARG A 49 0.509 4.758 17.946 1.00 0.00 N ATOM 730 NH2 ARG A 49 -1.667 5.485 17.921 1.00 0.00 N ATOM 0 H ARG A 49 -0.685 1.734 11.079 1.00 0.00 H new ATOM 0 HA ARG A 49 1.245 3.965 11.347 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.495 1.795 13.345 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.884 2.849 13.521 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.118 4.789 13.279 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.046 3.544 13.687 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.593 3.007 15.676 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.247 4.600 15.352 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.627 4.741 15.547 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.308 4.341 17.468 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.588 5.033 18.925 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.546 5.628 17.423 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.585 5.758 18.900 1.00 0.00 H new ATOM 744 N LYS A 50 3.137 2.544 10.616 1.00 0.00 N ATOM 745 CA LYS A 50 4.220 1.745 10.055 1.00 0.00 C ATOM 746 C LYS A 50 4.554 0.566 10.963 1.00 0.00 C ATOM 747 O LYS A 50 4.943 0.750 12.117 1.00 0.00 O ATOM 748 CB LYS A 50 5.464 2.611 9.846 1.00 0.00 C ATOM 749 CG LYS A 50 6.677 1.828 9.371 1.00 0.00 C ATOM 750 CD LYS A 50 7.806 2.753 8.947 1.00 0.00 C ATOM 751 CE LYS A 50 8.667 3.160 10.132 1.00 0.00 C ATOM 752 NZ LYS A 50 9.630 2.089 10.512 1.00 0.00 N ATOM 0 H LYS A 50 3.334 3.544 10.667 1.00 0.00 H new ATOM 0 HA LYS A 50 3.890 1.356 9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.236 3.390 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.709 3.112 10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.023 1.172 10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.394 1.190 8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.425 2.255 8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.391 3.643 8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.214 4.070 9.888 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.027 3.392 10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.198 2.405 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.107 1.228 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.258 1.885 9.708 1.00 0.00 H new ATOM 766 N SER A 51 4.402 -0.644 10.435 1.00 0.00 N ATOM 767 CA SER A 51 4.686 -1.853 11.199 1.00 0.00 C ATOM 768 C SER A 51 5.146 -2.981 10.281 1.00 0.00 C ATOM 769 O SER A 51 5.063 -2.872 9.058 1.00 0.00 O ATOM 770 CB SER A 51 3.445 -2.291 11.981 1.00 0.00 C ATOM 771 OG SER A 51 3.416 -1.695 13.266 1.00 0.00 O ATOM 0 H SER A 51 4.084 -0.813 9.481 1.00 0.00 H new ATOM 0 HA SER A 51 5.489 -1.629 11.901 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.547 -2.015 11.428 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.438 -3.376 12.080 1.00 0.00 H new ATOM 0 HG SER A 51 3.893 -0.839 13.241 1.00 0.00 H new ATOM 777 N GLN A 52 5.631 -4.063 10.881 1.00 0.00 N ATOM 778 CA GLN A 52 6.105 -5.211 10.117 1.00 0.00 C ATOM 779 C GLN A 52 5.203 -5.478 8.917 1.00 0.00 C ATOM 780 O GLN A 52 5.678 -5.805 7.830 1.00 0.00 O ATOM 781 CB GLN A 52 6.168 -6.453 11.009 1.00 0.00 C ATOM 782 CG GLN A 52 7.088 -6.294 12.209 1.00 0.00 C ATOM 783 CD GLN A 52 8.527 -6.031 11.811 1.00 0.00 C ATOM 784 OE1 GLN A 52 8.929 -6.299 10.678 1.00 0.00 O ATOM 785 NE2 GLN A 52 9.312 -5.503 12.742 1.00 0.00 N ATOM 0 H GLN A 52 5.706 -4.169 11.893 1.00 0.00 H new ATOM 0 HA GLN A 52 7.106 -4.983 9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.164 -6.689 11.360 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.505 -7.301 10.413 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.731 -5.472 12.829 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.043 -7.196 12.819 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.937 -5.297 13.668 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.290 -5.304 12.531 1.00 0.00 H new ATOM 794 N LYS A 53 3.898 -5.336 9.122 1.00 0.00 N ATOM 795 CA LYS A 53 2.927 -5.561 8.058 1.00 0.00 C ATOM 796 C LYS A 53 2.974 -4.432 7.032 1.00 0.00 C ATOM 797 O LYS A 53 3.239 -4.663 5.852 1.00 0.00 O ATOM 798 CB LYS A 53 1.517 -5.676 8.641 1.00 0.00 C ATOM 799 CG LYS A 53 0.416 -5.487 7.612 1.00 0.00 C ATOM 800 CD LYS A 53 0.324 -6.675 6.669 1.00 0.00 C ATOM 801 CE LYS A 53 -0.373 -7.856 7.326 1.00 0.00 C ATOM 802 NZ LYS A 53 0.577 -8.700 8.102 1.00 0.00 N ATOM 0 H LYS A 53 3.488 -5.066 10.016 1.00 0.00 H new ATOM 0 HA LYS A 53 3.183 -6.495 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.404 -6.655 9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.397 -4.933 9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.539 -5.350 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.605 -4.580 7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.219 -6.385 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.325 -6.971 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.159 -7.492 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.857 -8.463 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.387 -9.704 7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.552 -8.472 7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.457 -8.514 9.118 1.00 0.00 H new ATOM 816 N TYR A 54 2.715 -3.213 7.490 1.00 0.00 N ATOM 817 CA TYR A 54 2.727 -2.049 6.612 1.00 0.00 C ATOM 818 C TYR A 54 4.092 -1.368 6.628 1.00 0.00 C ATOM 819 O TYR A 54 4.409 -0.608 7.543 1.00 0.00 O ATOM 820 CB TYR A 54 1.644 -1.054 7.034 1.00 0.00 C ATOM 821 CG TYR A 54 0.257 -1.654 7.084 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.319 -2.220 5.953 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.477 -1.657 8.264 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.586 -2.768 5.995 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.744 -2.205 8.315 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.294 -2.759 7.178 1.00 0.00 C ATOM 827 OH TYR A 54 -3.556 -3.306 7.224 1.00 0.00 O ATOM 0 H TYR A 54 2.494 -3.005 8.464 1.00 0.00 H new ATOM 0 HA TYR A 54 2.523 -2.390 5.597 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.893 -0.654 8.017 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.643 -0.215 6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.234 -2.232 5.025 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.050 -1.224 9.156 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.020 -3.201 5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.301 -2.200 9.240 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.917 -3.220 8.131 1.00 0.00 H new ATOM 837 N ASP A 55 4.896 -1.647 5.608 1.00 0.00 N ATOM 838 CA ASP A 55 6.228 -1.061 5.502 1.00 0.00 C ATOM 839 C ASP A 55 6.184 0.249 4.721 1.00 0.00 C ATOM 840 O ASP A 55 5.990 0.253 3.505 1.00 0.00 O ATOM 841 CB ASP A 55 7.187 -2.041 4.825 1.00 0.00 C ATOM 842 CG ASP A 55 7.028 -3.457 5.343 1.00 0.00 C ATOM 843 OD1 ASP A 55 6.656 -3.619 6.524 1.00 0.00 O ATOM 844 OD2 ASP A 55 7.276 -4.403 4.567 1.00 0.00 O ATOM 0 H ASP A 55 4.649 -2.275 4.843 1.00 0.00 H new ATOM 0 HA ASP A 55 6.587 -0.851 6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.014 -2.029 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.213 -1.711 4.987 1.00 0.00 H new ATOM 849 N VAL A 56 6.366 1.360 5.428 1.00 0.00 N ATOM 850 CA VAL A 56 6.347 2.676 4.801 1.00 0.00 C ATOM 851 C VAL A 56 7.719 3.038 4.243 1.00 0.00 C ATOM 852 O VAL A 56 8.663 3.281 4.994 1.00 0.00 O ATOM 853 CB VAL A 56 5.907 3.766 5.797 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.862 5.125 5.116 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.556 3.418 6.403 1.00 0.00 C ATOM 0 H VAL A 56 6.528 1.375 6.435 1.00 0.00 H new ATOM 0 HA VAL A 56 5.626 2.628 3.985 1.00 0.00 H new ATOM 0 HB VAL A 56 6.639 3.815 6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.549 5.882 5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.852 5.374 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.152 5.094 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.260 4.198 7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.811 3.340 5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.627 2.466 6.929 1.00 0.00 H new ATOM 865 N VAL A 57 7.822 3.073 2.918 1.00 0.00 N ATOM 866 CA VAL A 57 9.078 3.407 2.257 1.00 0.00 C ATOM 867 C VAL A 57 9.018 4.796 1.633 1.00 0.00 C ATOM 868 O VAL A 57 8.630 4.951 0.474 1.00 0.00 O ATOM 869 CB VAL A 57 9.428 2.379 1.164 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.775 2.704 0.538 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.422 0.970 1.737 1.00 0.00 C ATOM 0 H VAL A 57 7.050 2.874 2.281 1.00 0.00 H new ATOM 0 HA VAL A 57 9.853 3.390 3.023 1.00 0.00 H new ATOM 0 HB VAL A 57 8.670 2.432 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.006 1.967 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.738 3.697 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.548 2.681 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.671 0.257 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.158 0.900 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.432 0.742 2.133 1.00 0.00 H new ATOM 881 N CYS A 58 9.405 5.804 2.407 1.00 0.00 N ATOM 882 CA CYS A 58 9.395 7.182 1.930 1.00 0.00 C ATOM 883 C CYS A 58 10.718 7.535 1.258 1.00 0.00 C ATOM 884 O CYS A 58 11.672 7.943 1.920 1.00 0.00 O ATOM 885 CB CYS A 58 9.126 8.143 3.089 1.00 0.00 C ATOM 886 SG CYS A 58 9.262 9.891 2.646 1.00 0.00 S ATOM 0 H CYS A 58 9.730 5.693 3.368 1.00 0.00 H new ATOM 0 HA CYS A 58 8.597 7.279 1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.125 7.955 3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.827 7.928 3.895 1.00 0.00 H new ATOM 0 HG CYS A 58 9.015 10.624 3.691 1.00 0.00 H new ATOM 892 N GLU A 59 10.768 7.372 -0.060 1.00 0.00 N ATOM 893 CA GLU A 59 11.976 7.670 -0.821 1.00 0.00 C ATOM 894 C GLU A 59 11.820 8.973 -1.600 1.00 0.00 C ATOM 895 O GLU A 59 10.773 9.617 -1.550 1.00 0.00 O ATOM 896 CB GLU A 59 12.297 6.524 -1.782 1.00 0.00 C ATOM 897 CG GLU A 59 12.703 5.238 -1.081 1.00 0.00 C ATOM 898 CD GLU A 59 14.187 5.185 -0.773 1.00 0.00 C ATOM 899 OE1 GLU A 59 14.635 5.940 0.115 1.00 0.00 O ATOM 900 OE2 GLU A 59 14.899 4.389 -1.420 1.00 0.00 O ATOM 0 H GLU A 59 9.987 7.035 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 59 12.799 7.784 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.424 6.328 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.102 6.834 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.139 5.141 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.435 4.387 -1.707 1.00 0.00 H new ATOM 907 N GLY A 60 12.871 9.355 -2.320 1.00 0.00 N ATOM 908 CA GLY A 60 12.831 10.578 -3.099 1.00 0.00 C ATOM 909 C GLY A 60 11.482 10.807 -3.752 1.00 0.00 C ATOM 910 O GLY A 60 11.209 10.282 -4.832 1.00 0.00 O ATOM 0 H GLY A 60 13.749 8.839 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.067 11.424 -2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.602 10.540 -3.869 1.00 0.00 H new ATOM 914 N THR A 61 10.634 11.592 -3.094 1.00 0.00 N ATOM 915 CA THR A 61 9.305 11.886 -3.615 1.00 0.00 C ATOM 916 C THR A 61 8.594 10.613 -4.059 1.00 0.00 C ATOM 917 O THR A 61 7.994 10.568 -5.133 1.00 0.00 O ATOM 918 CB THR A 61 9.371 12.864 -4.803 1.00 0.00 C ATOM 919 OG1 THR A 61 10.259 12.358 -5.806 1.00 0.00 O ATOM 920 CG2 THR A 61 9.843 14.237 -4.348 1.00 0.00 C ATOM 0 H THR A 61 10.844 12.035 -2.200 1.00 0.00 H new ATOM 0 HA THR A 61 8.743 12.349 -2.804 1.00 0.00 H new ATOM 0 HB THR A 61 8.369 12.961 -5.221 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.326 11.384 -5.723 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.882 14.911 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.150 14.633 -3.606 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.836 14.153 -3.907 1.00 0.00 H new ATOM 928 N MET A 62 8.663 9.580 -3.225 1.00 0.00 N ATOM 929 CA MET A 62 8.024 8.306 -3.532 1.00 0.00 C ATOM 930 C MET A 62 7.582 7.598 -2.255 1.00 0.00 C ATOM 931 O MET A 62 8.406 7.062 -1.515 1.00 0.00 O ATOM 932 CB MET A 62 8.978 7.409 -4.323 1.00 0.00 C ATOM 933 CG MET A 62 8.382 6.059 -4.687 1.00 0.00 C ATOM 934 SD MET A 62 9.626 4.759 -4.802 1.00 0.00 S ATOM 935 CE MET A 62 9.744 4.250 -3.089 1.00 0.00 C ATOM 0 H MET A 62 9.155 9.601 -2.332 1.00 0.00 H new ATOM 0 HA MET A 62 7.141 8.508 -4.139 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.274 7.924 -5.237 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.884 7.251 -3.738 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.639 5.781 -3.939 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.860 6.142 -5.640 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.724 3.808 -2.908 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.612 5.117 -2.442 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.968 3.515 -2.874 1.00 0.00 H new ATOM 945 N ALA A 63 6.277 7.601 -2.004 1.00 0.00 N ATOM 946 CA ALA A 63 5.726 6.957 -0.818 1.00 0.00 C ATOM 947 C ALA A 63 5.103 5.610 -1.164 1.00 0.00 C ATOM 948 O ALA A 63 4.009 5.547 -1.725 1.00 0.00 O ATOM 949 CB ALA A 63 4.698 7.863 -0.155 1.00 0.00 C ATOM 0 H ALA A 63 5.582 8.042 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 63 6.543 6.780 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.295 7.370 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.173 8.800 0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.889 8.069 -0.856 1.00 0.00 H new ATOM 955 N MET A 64 5.805 4.533 -0.825 1.00 0.00 N ATOM 956 CA MET A 64 5.319 3.186 -1.101 1.00 0.00 C ATOM 957 C MET A 64 4.906 2.483 0.189 1.00 0.00 C ATOM 958 O MET A 64 5.583 2.594 1.212 1.00 0.00 O ATOM 959 CB MET A 64 6.395 2.369 -1.819 1.00 0.00 C ATOM 960 CG MET A 64 5.910 1.009 -2.292 1.00 0.00 C ATOM 961 SD MET A 64 7.108 0.173 -3.349 1.00 0.00 S ATOM 962 CE MET A 64 8.295 -0.394 -2.133 1.00 0.00 C ATOM 0 H MET A 64 6.712 4.567 -0.359 1.00 0.00 H new ATOM 0 HA MET A 64 4.444 3.267 -1.746 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.757 2.935 -2.677 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.243 2.230 -1.148 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.696 0.383 -1.426 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.974 1.131 -2.836 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.100 -0.932 -2.634 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.707 0.463 -1.600 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.801 -1.059 -1.424 1.00 0.00 H new ATOM 972 N LEU A 65 3.793 1.761 0.133 1.00 0.00 N ATOM 973 CA LEU A 65 3.290 1.039 1.297 1.00 0.00 C ATOM 974 C LEU A 65 3.161 -0.451 1.000 1.00 0.00 C ATOM 975 O LEU A 65 2.259 -0.875 0.277 1.00 0.00 O ATOM 976 CB LEU A 65 1.935 1.605 1.726 1.00 0.00 C ATOM 977 CG LEU A 65 1.225 0.862 2.858 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.833 1.230 4.202 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.266 1.166 2.844 1.00 0.00 C ATOM 0 H LEU A 65 3.221 1.660 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 65 4.004 1.167 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.077 2.642 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.277 1.616 0.857 1.00 0.00 H new ATOM 0 HG LEU A 65 1.358 -0.209 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.315 0.692 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.889 0.960 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.732 2.303 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.755 0.628 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.420 2.237 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.693 0.850 1.892 1.00 0.00 H new ATOM 991 N VAL A 66 4.067 -1.243 1.565 1.00 0.00 N ATOM 992 CA VAL A 66 4.052 -2.687 1.364 1.00 0.00 C ATOM 993 C VAL A 66 3.048 -3.361 2.292 1.00 0.00 C ATOM 994 O VAL A 66 3.054 -3.130 3.502 1.00 0.00 O ATOM 995 CB VAL A 66 5.445 -3.301 1.599 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.462 -4.763 1.181 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.508 -2.511 0.850 1.00 0.00 C ATOM 0 H VAL A 66 4.821 -0.909 2.166 1.00 0.00 H new ATOM 0 HA VAL A 66 3.757 -2.859 0.329 1.00 0.00 H new ATOM 0 HB VAL A 66 5.670 -3.251 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.454 -5.179 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.728 -5.317 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.216 -4.842 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.486 -2.958 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.289 -2.528 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.511 -1.480 1.203 1.00 0.00 H new ATOM 1007 N ILE A 67 2.188 -4.196 1.719 1.00 0.00 N ATOM 1008 CA ILE A 67 1.179 -4.905 2.496 1.00 0.00 C ATOM 1009 C ILE A 67 1.466 -6.402 2.533 1.00 0.00 C ATOM 1010 O ILE A 67 0.796 -7.190 1.864 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.233 -4.678 1.925 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.570 -3.186 1.916 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.262 -5.454 2.734 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.502 -2.783 0.795 1.00 0.00 C ATOM 0 H ILE A 67 2.170 -4.398 0.719 1.00 0.00 H new ATOM 0 HA ILE A 67 1.221 -4.504 3.509 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.256 -5.042 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.025 -2.919 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.354 -2.614 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.255 -5.284 2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.029 -6.518 2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.240 -5.117 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.697 -1.712 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.041 -3.018 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.441 -3.328 0.889 1.00 0.00 H new ATOM 1026 N ARG A 68 2.465 -6.789 3.320 1.00 0.00 N ATOM 1027 CA ARG A 68 2.840 -8.192 3.445 1.00 0.00 C ATOM 1028 C ARG A 68 1.605 -9.074 3.598 1.00 0.00 C ATOM 1029 O ARG A 68 0.669 -8.729 4.318 1.00 0.00 O ATOM 1030 CB ARG A 68 3.772 -8.388 4.642 1.00 0.00 C ATOM 1031 CG ARG A 68 5.181 -7.869 4.409 1.00 0.00 C ATOM 1032 CD ARG A 68 6.004 -8.844 3.581 1.00 0.00 C ATOM 1033 NE ARG A 68 7.424 -8.504 3.586 1.00 0.00 N ATOM 1034 CZ ARG A 68 8.365 -9.266 3.040 1.00 0.00 C ATOM 1035 NH1 ARG A 68 8.037 -10.407 2.448 1.00 0.00 N ATOM 1036 NH2 ARG A 68 9.636 -8.889 3.085 1.00 0.00 N ATOM 0 H ARG A 68 3.029 -6.150 3.881 1.00 0.00 H new ATOM 0 HA ARG A 68 3.363 -8.485 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.347 -7.883 5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.820 -9.450 4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.136 -6.906 3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.671 -7.700 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.872 -9.853 3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.636 -8.849 2.555 1.00 0.00 H new ATOM 0 HE ARG A 68 7.709 -7.633 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.061 -10.700 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.761 -10.991 2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.892 -8.013 3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.357 -9.476 2.665 1.00 0.00 H new ATOM 1050 N GLY A 69 1.609 -10.214 2.915 1.00 0.00 N ATOM 1051 CA GLY A 69 0.483 -11.127 2.988 1.00 0.00 C ATOM 1052 C GLY A 69 -0.850 -10.407 2.968 1.00 0.00 C ATOM 1053 O GLY A 69 -1.461 -10.188 4.014 1.00 0.00 O ATOM 0 H GLY A 69 2.372 -10.522 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.529 -11.823 2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.558 -11.720 3.900 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.302 -10.034 1.775 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.571 -9.334 1.624 1.00 0.00 C ATOM 1059 C ALA A 70 -3.722 -10.317 1.436 1.00 0.00 C ATOM 1060 O ALA A 70 -3.914 -10.862 0.349 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.504 -8.367 0.451 1.00 0.00 C ATOM 0 H ALA A 70 -0.808 -10.205 0.899 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.756 -8.769 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.459 -7.851 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.714 -7.637 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.291 -8.919 -0.464 1.00 0.00 H new ATOM 1067 N SER A 71 -4.483 -10.541 2.503 1.00 0.00 N ATOM 1068 CA SER A 71 -5.612 -11.463 2.456 1.00 0.00 C ATOM 1069 C SER A 71 -6.917 -10.711 2.213 1.00 0.00 C ATOM 1070 O SER A 71 -6.960 -9.482 2.275 1.00 0.00 O ATOM 1071 CB SER A 71 -5.703 -12.257 3.761 1.00 0.00 C ATOM 1072 OG SER A 71 -4.640 -13.188 3.866 1.00 0.00 O ATOM 0 H SER A 71 -4.338 -10.097 3.410 1.00 0.00 H new ATOM 0 HA SER A 71 -5.452 -12.154 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.677 -11.573 4.609 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.657 -12.783 3.805 1.00 0.00 H new ATOM 0 HG SER A 71 -4.719 -13.682 4.709 1.00 0.00 H new ATOM 1078 N LEU A 72 -7.980 -11.459 1.935 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.288 -10.865 1.682 1.00 0.00 C ATOM 1080 C LEU A 72 -9.551 -9.701 2.632 1.00 0.00 C ATOM 1081 O LEU A 72 -10.132 -8.687 2.245 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.386 -11.919 1.833 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.184 -13.216 1.048 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.265 -14.226 1.399 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.177 -12.938 -0.448 1.00 0.00 C ATOM 0 H LEU A 72 -7.961 -12.477 1.879 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.295 -10.485 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.480 -12.168 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.333 -11.475 1.525 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.218 -13.638 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.105 -15.142 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.223 -14.448 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.243 -13.813 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.032 -13.872 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.128 -12.492 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.366 -12.250 -0.686 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.117 -9.852 3.879 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.301 -8.814 4.886 1.00 0.00 C ATOM 1099 C LYS A 73 -8.549 -7.544 4.501 1.00 0.00 C ATOM 1100 O LYS A 73 -9.133 -6.463 4.427 1.00 0.00 O ATOM 1101 CB LYS A 73 -8.823 -9.308 6.253 1.00 0.00 C ATOM 1102 CG LYS A 73 -9.508 -8.621 7.422 1.00 0.00 C ATOM 1103 CD LYS A 73 -8.809 -7.323 7.792 1.00 0.00 C ATOM 1104 CE LYS A 73 -9.719 -6.411 8.600 1.00 0.00 C ATOM 1105 NZ LYS A 73 -10.864 -5.911 7.789 1.00 0.00 N ATOM 0 H LYS A 73 -8.635 -10.685 4.217 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.365 -8.583 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.995 -10.382 6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.747 -9.152 6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.548 -8.416 7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.517 -9.289 8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.910 -7.544 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.489 -6.809 6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.097 -6.951 9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.144 -5.565 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.226 -5.030 8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.546 -5.728 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.620 -6.625 7.778 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.250 -7.683 4.256 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.418 -6.547 3.876 1.00 0.00 C ATOM 1121 C ASP A 74 -7.160 -5.629 2.910 1.00 0.00 C ATOM 1122 O ASP A 74 -7.105 -4.406 3.035 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.115 -7.032 3.239 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.175 -7.658 4.250 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -4.409 -8.823 4.637 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.204 -6.984 4.653 1.00 0.00 O ATOM 0 H ASP A 74 -6.751 -8.571 4.314 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.184 -5.982 4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.343 -7.760 2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.616 -6.193 2.754 1.00 0.00 H new ATOM 1131 N ALA A 75 -7.853 -6.227 1.947 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.607 -5.463 0.960 1.00 0.00 C ATOM 1133 C ALA A 75 -9.304 -4.271 1.605 1.00 0.00 C ATOM 1134 O ALA A 75 -10.137 -4.434 2.497 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.621 -6.358 0.264 1.00 0.00 C ATOM 0 H ALA A 75 -7.908 -7.239 1.829 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.906 -5.082 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.177 -5.775 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.102 -7.174 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.312 -6.767 1.001 1.00 0.00 H new ATOM 1141 N GLY A 76 -8.958 -3.071 1.149 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.561 -1.868 1.694 1.00 0.00 C ATOM 1143 C GLY A 76 -9.115 -0.615 0.966 1.00 0.00 C ATOM 1144 O GLY A 76 -8.184 -0.656 0.163 1.00 0.00 O ATOM 0 H GLY A 76 -8.271 -2.910 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.646 -1.951 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.303 -1.782 2.750 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.782 0.500 1.247 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.450 1.769 0.611 1.00 0.00 C ATOM 1150 C GLU A 77 -8.252 2.422 1.292 1.00 0.00 C ATOM 1151 O GLU A 77 -8.230 2.585 2.513 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.652 2.715 0.651 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.707 3.679 -0.522 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.490 3.125 -1.696 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -12.118 2.057 -1.539 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -11.473 3.758 -2.773 1.00 0.00 O ATOM 0 H GLU A 77 -10.555 0.550 1.911 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.190 1.568 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.568 2.124 0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.623 3.286 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.161 4.615 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.692 3.912 -0.844 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.256 2.794 0.496 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.052 3.427 1.021 1.00 0.00 C ATOM 1165 C TYR A 78 -6.016 4.910 0.664 1.00 0.00 C ATOM 1166 O TYR A 78 -5.841 5.277 -0.499 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.805 2.729 0.477 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.521 1.396 1.133 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -5.061 0.221 0.626 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.713 1.313 2.260 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -4.806 -0.998 1.223 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.451 0.098 2.863 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.000 -1.055 2.341 1.00 0.00 C ATOM 1174 OH TYR A 78 -3.742 -2.268 2.938 1.00 0.00 O ATOM 0 H TYR A 78 -7.259 2.668 -0.516 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.067 3.334 2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.922 2.578 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.944 3.383 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.691 0.261 -0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.282 2.214 2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.235 -1.902 0.817 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.820 0.051 3.738 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.157 -2.134 3.713 1.00 0.00 H new ATOM 1184 N THR A 79 -6.181 5.759 1.673 1.00 0.00 N ATOM 1185 CA THR A 79 -6.168 7.202 1.467 1.00 0.00 C ATOM 1186 C THR A 79 -4.849 7.811 1.929 1.00 0.00 C ATOM 1187 O THR A 79 -4.554 7.842 3.125 1.00 0.00 O ATOM 1188 CB THR A 79 -7.327 7.887 2.216 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.580 7.362 1.764 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.295 9.392 2.001 1.00 0.00 C ATOM 0 H THR A 79 -6.325 5.472 2.641 1.00 0.00 H new ATOM 0 HA THR A 79 -6.288 7.370 0.397 1.00 0.00 H new ATOM 0 HB THR A 79 -7.212 7.686 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.312 7.801 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.123 9.854 2.539 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.352 9.793 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.388 9.610 0.937 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.060 8.295 0.976 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.772 8.904 1.286 1.00 0.00 C ATOM 1200 C CYS A 80 -2.927 10.397 1.555 1.00 0.00 C ATOM 1201 O CYS A 80 -2.734 11.221 0.662 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.788 8.680 0.137 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.778 7.190 0.310 1.00 0.00 S ATOM 0 H CYS A 80 -4.290 8.277 -0.018 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.382 8.430 2.186 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.345 8.622 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.130 9.546 0.063 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.536 6.188 0.645 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.278 10.738 2.791 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.461 12.132 3.176 1.00 0.00 C ATOM 1211 C GLU A 81 -2.116 12.839 3.318 1.00 0.00 C ATOM 1212 O GLU A 81 -1.401 12.645 4.301 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.239 12.224 4.490 1.00 0.00 C ATOM 1214 CG GLU A 81 -5.087 13.480 4.609 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.534 13.748 6.033 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -5.797 12.773 6.767 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -5.621 14.935 6.413 1.00 0.00 O ATOM 0 H GLU A 81 -3.441 10.068 3.542 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.031 12.627 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.884 11.350 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.536 12.190 5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.517 14.335 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.964 13.384 3.969 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.777 13.659 2.328 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.519 14.395 2.342 1.00 0.00 C ATOM 1226 C VAL A 82 -0.704 15.789 2.933 1.00 0.00 C ATOM 1227 O VAL A 82 -1.815 16.179 3.290 1.00 0.00 O ATOM 1228 CB VAL A 82 0.071 14.525 0.926 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.616 15.646 0.161 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.573 14.757 0.994 1.00 0.00 C ATOM 0 H VAL A 82 -2.356 13.830 1.506 1.00 0.00 H new ATOM 0 HA VAL A 82 0.172 13.828 2.965 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.106 13.592 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.185 15.722 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.682 15.432 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.474 16.588 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.973 14.847 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.775 15.674 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.048 13.917 1.500 1.00 0.00 H new ATOM 1240 N GLU A 83 0.393 16.534 3.033 1.00 0.00 N ATOM 1241 CA GLU A 83 0.350 17.884 3.582 1.00 0.00 C ATOM 1242 C GLU A 83 -1.008 18.532 3.328 1.00 0.00 C ATOM 1243 O GLU A 83 -1.785 18.752 4.257 1.00 0.00 O ATOM 1244 CB GLU A 83 1.459 18.742 2.969 1.00 0.00 C ATOM 1245 CG GLU A 83 1.893 18.280 1.588 1.00 0.00 C ATOM 1246 CD GLU A 83 2.373 19.423 0.715 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.507 19.899 0.932 1.00 0.00 O ATOM 1248 OE2 GLU A 83 1.616 19.842 -0.186 1.00 0.00 O ATOM 0 H GLU A 83 1.321 16.226 2.741 1.00 0.00 H new ATOM 0 HA GLU A 83 0.505 17.816 4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.115 19.774 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.323 18.734 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.691 17.545 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.058 17.779 1.098 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.286 18.835 2.065 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.550 19.456 1.688 1.00 0.00 C ATOM 1257 C ALA A 84 -3.355 18.547 0.767 1.00 0.00 C ATOM 1258 O ALA A 84 -4.578 18.462 0.877 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.299 20.800 1.020 1.00 0.00 C ATOM 0 H ALA A 84 -0.653 18.661 1.285 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.132 19.617 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.251 21.252 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.772 21.457 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.694 20.654 0.125 1.00 0.00 H new ATOM 1265 N SER A 85 -2.662 17.869 -0.142 1.00 0.00 N ATOM 1266 CA SER A 85 -3.314 16.969 -1.086 1.00 0.00 C ATOM 1267 C SER A 85 -3.676 15.647 -0.415 1.00 0.00 C ATOM 1268 O SER A 85 -3.485 15.476 0.789 1.00 0.00 O ATOM 1269 CB SER A 85 -2.404 16.710 -2.289 1.00 0.00 C ATOM 1270 OG SER A 85 -2.638 17.656 -3.318 1.00 0.00 O ATOM 0 H SER A 85 -1.649 17.926 -0.245 1.00 0.00 H new ATOM 0 HA SER A 85 -4.232 17.446 -1.429 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.361 16.758 -1.977 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.577 15.703 -2.670 1.00 0.00 H new ATOM 0 HG SER A 85 -2.164 17.380 -4.130 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.200 14.715 -1.204 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.589 13.407 -0.689 1.00 0.00 C ATOM 1278 C LYS A 86 -5.074 12.501 -1.816 1.00 0.00 C ATOM 1279 O LYS A 86 -5.743 12.953 -2.745 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.688 13.558 0.366 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.423 12.263 0.667 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.722 12.521 1.412 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.894 12.672 0.454 1.00 0.00 C ATOM 1284 NZ LYS A 86 -10.148 13.043 1.165 1.00 0.00 N ATOM 0 H LYS A 86 -4.365 14.841 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.713 12.950 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.246 13.938 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.407 14.304 0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.635 11.738 -0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.784 11.611 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.917 11.699 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.624 13.424 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.659 13.434 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.045 11.737 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.922 13.136 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.386 12.304 1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.012 13.948 1.658 1.00 0.00 H new ATOM 1298 N SER A 87 -4.731 11.220 -1.728 1.00 0.00 N ATOM 1299 CA SER A 87 -5.130 10.250 -2.742 1.00 0.00 C ATOM 1300 C SER A 87 -6.079 9.210 -2.156 1.00 0.00 C ATOM 1301 O SER A 87 -6.249 9.122 -0.939 1.00 0.00 O ATOM 1302 CB SER A 87 -3.897 9.560 -3.329 1.00 0.00 C ATOM 1303 OG SER A 87 -4.256 8.692 -4.391 1.00 0.00 O ATOM 0 H SER A 87 -4.178 10.829 -0.965 1.00 0.00 H new ATOM 0 HA SER A 87 -5.652 10.784 -3.536 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.194 10.310 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.387 8.994 -2.549 1.00 0.00 H new ATOM 0 HG SER A 87 -4.283 7.769 -4.064 1.00 0.00 H new ATOM 1309 N THR A 88 -6.696 8.422 -3.030 1.00 0.00 N ATOM 1310 CA THR A 88 -7.629 7.387 -2.602 1.00 0.00 C ATOM 1311 C THR A 88 -7.682 6.243 -3.607 1.00 0.00 C ATOM 1312 O THR A 88 -7.944 6.456 -4.791 1.00 0.00 O ATOM 1313 CB THR A 88 -9.049 7.955 -2.413 1.00 0.00 C ATOM 1314 OG1 THR A 88 -8.993 9.177 -1.668 1.00 0.00 O ATOM 1315 CG2 THR A 88 -9.939 6.955 -1.690 1.00 0.00 C ATOM 0 H THR A 88 -6.566 8.481 -4.040 1.00 0.00 H new ATOM 0 HA THR A 88 -7.265 7.010 -1.646 1.00 0.00 H new ATOM 0 HB THR A 88 -9.473 8.150 -3.398 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.899 9.532 -1.554 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.936 7.377 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.003 6.037 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.516 6.734 -0.710 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.431 5.029 -3.128 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.453 3.850 -3.986 1.00 0.00 C ATOM 1325 C ALA A 89 -8.119 2.672 -3.282 1.00 0.00 C ATOM 1326 O ALA A 89 -8.197 2.633 -2.054 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.040 3.482 -4.413 1.00 0.00 C ATOM 0 H ALA A 89 -7.210 4.836 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.039 4.087 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.071 2.600 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.598 4.313 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.437 3.268 -3.530 1.00 0.00 H new ATOM 1333 N SER A 90 -8.597 1.713 -4.069 1.00 0.00 N ATOM 1334 CA SER A 90 -9.260 0.535 -3.521 1.00 0.00 C ATOM 1335 C SER A 90 -8.497 -0.735 -3.883 1.00 0.00 C ATOM 1336 O SER A 90 -8.114 -0.936 -5.036 1.00 0.00 O ATOM 1337 CB SER A 90 -10.697 0.446 -4.039 1.00 0.00 C ATOM 1338 OG SER A 90 -11.183 -0.883 -3.969 1.00 0.00 O ATOM 0 H SER A 90 -8.538 1.729 -5.087 1.00 0.00 H new ATOM 0 HA SER A 90 -9.278 0.630 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.340 1.103 -3.453 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.738 0.798 -5.070 1.00 0.00 H new ATOM 0 HG SER A 90 -11.166 -1.285 -4.862 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.281 -1.590 -2.889 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.563 -2.843 -3.101 1.00 0.00 C ATOM 1346 C LEU A 91 -8.533 -4.017 -3.191 1.00 0.00 C ATOM 1347 O LEU A 91 -9.500 -4.097 -2.433 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.563 -3.078 -1.967 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.097 -4.522 -1.772 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.208 -4.956 -2.927 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.364 -4.671 -0.447 1.00 0.00 C ATOM 0 H LEU A 91 -8.592 -1.439 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.022 -2.769 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.687 -2.456 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.012 -2.733 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.975 -5.168 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.886 -5.986 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.766 -4.888 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.334 -4.306 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.040 -5.704 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.494 -4.014 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.032 -4.401 0.371 1.00 0.00 H new ATOM 1363 N HIS A 92 -8.266 -4.928 -4.122 1.00 0.00 N ATOM 1364 CA HIS A 92 -9.113 -6.100 -4.310 1.00 0.00 C ATOM 1365 C HIS A 92 -8.334 -7.383 -4.036 1.00 0.00 C ATOM 1366 O HIS A 92 -7.155 -7.489 -4.373 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.678 -6.125 -5.730 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.163 -4.791 -6.206 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -9.601 -3.893 -7.049 1.00 0.00 N flip ATOM 1370 CD2 HIS A 92 -11.364 -4.242 -5.810 1.00 0.00 C flip ATOM 1371 CE1 HIS A 92 -10.464 -2.830 -7.146 1.00 0.00 C flip ATOM 1372 NE2 HIS A 92 -11.521 -3.065 -6.389 1.00 0.00 N flip ATOM 0 H HIS A 92 -7.470 -4.877 -4.758 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.938 -6.039 -3.601 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.908 -6.487 -6.412 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.502 -6.838 -5.772 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -8.703 -3.989 -7.524 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.067 -4.703 -5.132 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.305 -1.945 -7.744 1.00 0.00 H new ATOM 1381 N VAL A 93 -9.001 -8.355 -3.423 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.372 -9.631 -3.104 1.00 0.00 C ATOM 1383 C VAL A 93 -9.332 -10.792 -3.339 1.00 0.00 C ATOM 1384 O VAL A 93 -10.371 -10.891 -2.687 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.887 -9.668 -1.643 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.388 -11.059 -1.280 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.801 -8.627 -1.416 1.00 0.00 C ATOM 0 H VAL A 93 -9.977 -8.283 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.513 -9.734 -3.767 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.729 -9.430 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.050 -11.065 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.197 -11.779 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.559 -11.330 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.470 -8.667 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.957 -8.832 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.197 -7.635 -1.632 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.977 -11.667 -4.274 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.809 -12.821 -4.595 1.00 0.00 C ATOM 1399 C GLU A 94 -8.952 -14.066 -4.807 1.00 0.00 C ATOM 1400 O GLU A 94 -7.958 -14.032 -5.531 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.644 -12.544 -5.846 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.727 -11.499 -5.636 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.869 -11.635 -6.624 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.668 -11.310 -7.813 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -13.964 -12.068 -6.208 1.00 0.00 O ATOM 0 H GLU A 94 -8.120 -11.599 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.478 -13.000 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.983 -12.214 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.107 -13.474 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.117 -11.584 -4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.290 -10.505 -5.727 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.347 -15.164 -4.170 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.615 -16.420 -4.288 1.00 0.00 C ATOM 1414 C GLU A 95 -8.941 -17.118 -5.605 1.00 0.00 C ATOM 1415 O GLU A 95 -10.079 -17.086 -6.073 1.00 0.00 O ATOM 1416 CB GLU A 95 -8.948 -17.342 -3.113 1.00 0.00 C ATOM 1417 CG GLU A 95 -7.829 -18.309 -2.763 1.00 0.00 C ATOM 1418 CD GLU A 95 -8.313 -19.486 -1.938 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.538 -19.723 -1.902 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -7.465 -20.171 -1.328 1.00 0.00 O ATOM 0 H GLU A 95 -10.169 -15.209 -3.568 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.549 -16.193 -4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.178 -16.734 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.847 -17.910 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.371 -18.677 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.054 -17.778 -2.211 1.00 0.00 H new ATOM 1427 N LYS A 96 -7.933 -17.748 -6.199 1.00 0.00 N ATOM 1428 CA LYS A 96 -8.110 -18.455 -7.462 1.00 0.00 C ATOM 1429 C LYS A 96 -9.081 -19.620 -7.302 1.00 0.00 C ATOM 1430 O LYS A 96 -9.359 -20.060 -6.186 1.00 0.00 O ATOM 1431 CB LYS A 96 -6.763 -18.966 -7.977 1.00 0.00 C ATOM 1432 CG LYS A 96 -6.218 -20.145 -7.188 1.00 0.00 C ATOM 1433 CD LYS A 96 -5.522 -19.691 -5.916 1.00 0.00 C ATOM 1434 CE LYS A 96 -4.491 -20.708 -5.452 1.00 0.00 C ATOM 1435 NZ LYS A 96 -5.090 -21.732 -4.551 1.00 0.00 N ATOM 0 H LYS A 96 -6.984 -17.783 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.527 -17.755 -8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.870 -19.257 -9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.039 -18.152 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.033 -20.823 -6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.517 -20.705 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.036 -18.731 -6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.262 -19.537 -5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.050 -21.200 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.683 -20.194 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.356 -22.407 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.488 -21.265 -3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.845 -22.240 -5.056 1.00 0.00 H new ATOM 1449 N ALA A 97 -9.592 -20.117 -8.423 1.00 0.00 N ATOM 1450 CA ALA A 97 -10.528 -21.234 -8.407 1.00 0.00 C ATOM 1451 C ALA A 97 -10.791 -21.752 -9.817 1.00 0.00 C ATOM 1452 O ALA A 97 -10.444 -21.100 -10.802 1.00 0.00 O ATOM 1453 CB ALA A 97 -11.833 -20.819 -7.744 1.00 0.00 C ATOM 0 H ALA A 97 -9.373 -19.763 -9.354 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.080 -22.042 -7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -12.523 -21.663 -7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.636 -20.505 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.276 -19.992 -8.299 1.00 0.00 H new ATOM 1459 N SER A 98 -11.404 -22.928 -9.906 1.00 0.00 N ATOM 1460 CA SER A 98 -11.709 -23.535 -11.197 1.00 0.00 C ATOM 1461 C SER A 98 -13.191 -23.393 -11.528 1.00 0.00 C ATOM 1462 O SER A 98 -14.020 -24.175 -11.065 1.00 0.00 O ATOM 1463 CB SER A 98 -11.314 -25.013 -11.195 1.00 0.00 C ATOM 1464 OG SER A 98 -11.949 -25.708 -10.135 1.00 0.00 O ATOM 0 H SER A 98 -11.699 -23.479 -9.100 1.00 0.00 H new ATOM 0 HA SER A 98 -11.133 -23.013 -11.961 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.587 -25.467 -12.147 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.232 -25.104 -11.097 1.00 0.00 H new ATOM 0 HG SER A 98 -12.882 -25.416 -10.065 1.00 0.00 H new ATOM 1470 N GLY A 99 -13.518 -22.386 -12.333 1.00 0.00 N ATOM 1471 CA GLY A 99 -14.900 -22.158 -12.713 1.00 0.00 C ATOM 1472 C GLY A 99 -15.787 -21.861 -11.521 1.00 0.00 C ATOM 1473 O GLY A 99 -15.425 -22.115 -10.372 1.00 0.00 O ATOM 0 H GLY A 99 -12.850 -21.724 -12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.948 -21.325 -13.414 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.280 -23.036 -13.235 1.00 0.00 H new ATOM 1477 N PRO A 100 -16.980 -21.309 -11.789 1.00 0.00 N ATOM 1478 CA PRO A 100 -17.945 -20.963 -10.742 1.00 0.00 C ATOM 1479 C PRO A 100 -18.555 -22.198 -10.086 1.00 0.00 C ATOM 1480 O PRO A 100 -19.311 -22.090 -9.120 1.00 0.00 O ATOM 1481 CB PRO A 100 -19.018 -20.173 -11.495 1.00 0.00 C ATOM 1482 CG PRO A 100 -18.927 -20.657 -12.901 1.00 0.00 C ATOM 1483 CD PRO A 100 -17.477 -20.979 -13.135 1.00 0.00 C ATOM 0 HA PRO A 100 -17.481 -20.407 -9.927 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -20.009 -20.353 -11.077 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -18.836 -19.100 -11.433 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -19.552 -21.538 -13.052 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -19.275 -19.896 -13.599 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -17.357 -21.815 -13.824 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -16.942 -20.132 -13.565 1.00 0.00 H new ATOM 1491 N SER A 101 -18.221 -23.370 -10.616 1.00 0.00 N ATOM 1492 CA SER A 101 -18.739 -24.625 -10.083 1.00 0.00 C ATOM 1493 C SER A 101 -17.604 -25.507 -9.571 1.00 0.00 C ATOM 1494 O SER A 101 -17.039 -26.306 -10.317 1.00 0.00 O ATOM 1495 CB SER A 101 -19.534 -25.370 -11.157 1.00 0.00 C ATOM 1496 OG SER A 101 -20.820 -24.801 -11.327 1.00 0.00 O ATOM 0 H SER A 101 -17.594 -23.477 -11.414 1.00 0.00 H new ATOM 0 HA SER A 101 -19.400 -24.392 -9.248 1.00 0.00 H new ATOM 0 HB2 SER A 101 -18.992 -25.339 -12.102 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.631 -26.420 -10.879 1.00 0.00 H new ATOM 0 HG SER A 101 -21.307 -25.294 -12.020 1.00 0.00 H new ATOM 1502 N SER A 102 -17.276 -25.354 -8.292 1.00 0.00 N ATOM 1503 CA SER A 102 -16.207 -26.133 -7.679 1.00 0.00 C ATOM 1504 C SER A 102 -16.753 -27.030 -6.572 1.00 0.00 C ATOM 1505 O SER A 102 -16.958 -26.587 -5.443 1.00 0.00 O ATOM 1506 CB SER A 102 -15.130 -25.204 -7.113 1.00 0.00 C ATOM 1507 OG SER A 102 -14.074 -25.945 -6.528 1.00 0.00 O ATOM 0 H SER A 102 -17.735 -24.698 -7.660 1.00 0.00 H new ATOM 0 HA SER A 102 -15.765 -26.765 -8.449 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.737 -24.571 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 102 -15.571 -24.543 -6.367 1.00 0.00 H new ATOM 0 HG SER A 102 -13.398 -25.329 -6.175 1.00 0.00 H new ATOM 1513 N GLY A 103 -16.988 -28.295 -6.906 1.00 0.00 N ATOM 1514 CA GLY A 103 -17.508 -29.235 -5.931 1.00 0.00 C ATOM 1515 C GLY A 103 -16.459 -30.223 -5.460 1.00 0.00 C ATOM 1516 O GLY A 103 -15.944 -31.015 -6.250 1.00 0.00 O ATOM 0 H GLY A 103 -16.827 -28.685 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.897 -28.686 -5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.346 -29.780 -6.367 1.00 0.00 H new TER 1520 GLY A 103