USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 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 23 LYS NZ :NH3+ -143:sc= 0.0712 (180deg=0) USER MOD Single : A 25 MET CE :methyl -149:sc= -2.09! (180deg=-2.43) USER MOD Single : A 26 GLN : amide:sc= -0.7 K(o=-0.7,f=-3.6!) USER MOD Single : A 28 ASN : amide:sc= 0.0914 X(o=0.091,f=0) USER MOD Single : A 34 MET CE :methyl 149:sc= -0.537 (180deg=-1.86!) USER MOD Single : A 42 ASN : amide:sc= -0.691 K(o=-0.69,f=-3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 86:sc= 0.227 USER MOD Single : A 51 GLN : amide:sc=-0.00511 K(o=-0.0051,f=-0.71) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -0.483 K(o=-0.48,f=-5.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= -0.0319 (180deg=-0.0319) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.564 -1.840 -0.793 1.00 53.10 N ATOM 19 CA LYS A 2 5.016 -1.930 -0.695 1.00 53.33 C ATOM 20 C LYS A 2 5.581 -2.821 -1.796 1.00 61.32 C ATOM 21 O LYS A 2 6.393 -3.709 -1.533 1.00 54.14 O ATOM 22 CB LYS A 2 5.422 -2.474 0.676 1.00 64.21 C ATOM 23 CG LYS A 2 4.843 -3.844 0.983 1.00 74.13 C ATOM 24 CD LYS A 2 5.334 -4.371 2.321 1.00 53.42 C ATOM 25 CE LYS A 2 4.939 -5.825 2.526 1.00 23.12 C ATOM 26 NZ LYS A 2 3.751 -5.958 3.413 1.00 15.42 N ATOM 0 HA LYS A 2 5.427 -0.928 -0.817 1.00 53.33 H new ATOM 0 HB2 LYS A 2 6.509 -2.528 0.728 1.00 64.21 H new ATOM 0 HB3 LYS A 2 5.101 -1.772 1.446 1.00 64.21 H new ATOM 0 HG2 LYS A 2 3.755 -3.786 0.991 1.00 74.13 H new ATOM 0 HG3 LYS A 2 5.119 -4.542 0.193 1.00 74.13 H new ATOM 0 HD2 LYS A 2 6.419 -4.276 2.375 1.00 53.42 H new ATOM 0 HD3 LYS A 2 4.921 -3.764 3.126 1.00 53.42 H new ATOM 0 HE2 LYS A 2 4.724 -6.282 1.560 1.00 23.12 H new ATOM 0 HE3 LYS A 2 5.777 -6.371 2.958 1.00 23.12 H new ATOM 0 HZ1 LYS A 2 3.514 -6.964 3.527 1.00 15.42 H new ATOM 0 HZ2 LYS A 2 3.964 -5.545 4.343 1.00 15.42 H new ATOM 0 HZ3 LYS A 2 2.943 -5.458 2.989 1.00 15.42 H new ATOM 40 N ARG A 3 5.148 -2.578 -3.029 1.00 22.10 N ATOM 41 CA ARG A 3 5.612 -3.359 -4.169 1.00 72.14 C ATOM 42 C ARG A 3 5.775 -2.476 -5.403 1.00 54.01 C ATOM 43 O ARG A 3 5.213 -1.383 -5.475 1.00 43.42 O ATOM 44 CB ARG A 3 4.632 -4.496 -4.468 1.00 44.33 C ATOM 45 CG ARG A 3 3.331 -4.028 -5.099 1.00 70.11 C ATOM 46 CD ARG A 3 2.129 -4.428 -4.258 1.00 70.51 C ATOM 47 NE ARG A 3 2.135 -5.853 -3.938 1.00 61.40 N ATOM 48 CZ ARG A 3 1.879 -6.807 -4.826 1.00 73.23 C ATOM 49 NH1 ARG A 3 1.598 -6.490 -6.083 1.00 11.35 N ATOM 50 NH2 ARG A 3 1.903 -8.082 -4.459 1.00 5.14 N ATOM 0 H ARG A 3 4.477 -1.847 -3.264 1.00 22.10 H new ATOM 0 HA ARG A 3 6.584 -3.783 -3.916 1.00 72.14 H new ATOM 0 HB2 ARG A 3 5.112 -5.212 -5.135 1.00 44.33 H new ATOM 0 HB3 ARG A 3 4.407 -5.024 -3.541 1.00 44.33 H new ATOM 0 HG2 ARG A 3 3.351 -2.944 -5.215 1.00 70.11 H new ATOM 0 HG3 ARG A 3 3.236 -4.454 -6.098 1.00 70.11 H new ATOM 0 HD2 ARG A 3 2.124 -3.849 -3.334 1.00 70.51 H new ATOM 0 HD3 ARG A 3 1.213 -4.181 -4.794 1.00 70.51 H new ATOM 0 HE ARG A 3 2.347 -6.131 -2.980 1.00 61.40 H new ATOM 0 HH11 ARG A 3 1.578 -5.511 -6.370 1.00 11.35 H new ATOM 0 HH12 ARG A 3 1.402 -7.225 -6.763 1.00 11.35 H new ATOM 0 HH21 ARG A 3 2.118 -8.331 -3.494 1.00 5.14 H new ATOM 0 HH22 ARG A 3 1.706 -8.813 -5.142 1.00 5.14 H new ATOM 64 N PHE A 4 6.547 -2.958 -6.371 1.00 51.54 N ATOM 65 CA PHE A 4 6.785 -2.212 -7.602 1.00 2.45 C ATOM 66 C PHE A 4 6.525 -3.084 -8.826 1.00 21.32 C ATOM 67 O PHE A 4 7.219 -4.075 -9.054 1.00 20.53 O ATOM 68 CB PHE A 4 8.221 -1.684 -7.633 1.00 40.11 C ATOM 69 CG PHE A 4 8.315 -0.222 -7.964 1.00 42.21 C ATOM 70 CD1 PHE A 4 7.636 0.719 -7.206 1.00 71.44 C ATOM 71 CD2 PHE A 4 9.083 0.212 -9.032 1.00 44.13 C ATOM 72 CE1 PHE A 4 7.720 2.064 -7.509 1.00 43.45 C ATOM 73 CE2 PHE A 4 9.172 1.557 -9.340 1.00 30.21 C ATOM 74 CZ PHE A 4 8.490 2.484 -8.577 1.00 2.23 C ATOM 0 H PHE A 4 7.019 -3.861 -6.327 1.00 51.54 H new ATOM 0 HA PHE A 4 6.094 -1.369 -7.626 1.00 2.45 H new ATOM 0 HB2 PHE A 4 8.685 -1.859 -6.662 1.00 40.11 H new ATOM 0 HB3 PHE A 4 8.793 -2.252 -8.367 1.00 40.11 H new ATOM 0 HD1 PHE A 4 7.034 0.397 -6.369 1.00 71.44 H new ATOM 0 HD2 PHE A 4 9.619 -0.509 -9.631 1.00 44.13 H new ATOM 0 HE1 PHE A 4 7.184 2.787 -6.912 1.00 43.45 H new ATOM 0 HE2 PHE A 4 9.774 1.882 -10.176 1.00 30.21 H new ATOM 0 HZ PHE A 4 8.558 3.535 -8.814 1.00 2.23 H new ATOM 84 N ASP A 5 5.521 -2.709 -9.610 1.00 13.21 N ATOM 85 CA ASP A 5 5.168 -3.456 -10.812 1.00 21.05 C ATOM 86 C ASP A 5 6.069 -3.065 -11.979 1.00 2.14 C ATOM 87 O ASP A 5 5.736 -2.176 -12.763 1.00 42.32 O ATOM 88 CB ASP A 5 3.703 -3.212 -11.178 1.00 63.20 C ATOM 89 CG ASP A 5 2.849 -4.453 -11.006 1.00 2.11 C ATOM 90 OD1 ASP A 5 2.746 -5.240 -11.970 1.00 12.13 O ATOM 91 OD2 ASP A 5 2.283 -4.636 -9.908 1.00 24.45 O ATOM 0 H ASP A 5 4.936 -1.892 -9.435 1.00 13.21 H new ATOM 0 HA ASP A 5 5.311 -4.517 -10.606 1.00 21.05 H new ATOM 0 HB2 ASP A 5 3.304 -2.411 -10.555 1.00 63.20 H new ATOM 0 HB3 ASP A 5 3.641 -2.873 -12.212 1.00 63.20 H new ATOM 96 N LEU A 6 7.212 -3.734 -12.087 1.00 10.52 N ATOM 97 CA LEU A 6 8.163 -3.455 -13.158 1.00 33.52 C ATOM 98 C LEU A 6 7.745 -4.148 -14.451 1.00 35.54 C ATOM 99 O LEU A 6 8.350 -3.940 -15.502 1.00 61.31 O ATOM 100 CB LEU A 6 9.565 -3.911 -12.752 1.00 65.12 C ATOM 101 CG LEU A 6 10.383 -2.915 -11.929 1.00 50.12 C ATOM 102 CD1 LEU A 6 10.264 -1.516 -12.513 1.00 43.32 C ATOM 103 CD2 LEU A 6 9.933 -2.928 -10.476 1.00 20.05 C ATOM 0 H LEU A 6 7.503 -4.473 -11.447 1.00 10.52 H new ATOM 0 HA LEU A 6 8.173 -2.379 -13.331 1.00 33.52 H new ATOM 0 HB2 LEU A 6 9.474 -4.835 -12.181 1.00 65.12 H new ATOM 0 HB3 LEU A 6 10.124 -4.150 -13.657 1.00 65.12 H new ATOM 0 HG LEU A 6 11.430 -3.215 -11.967 1.00 50.12 H new ATOM 0 HD11 LEU A 6 10.852 -0.821 -11.914 1.00 43.32 H new ATOM 0 HD12 LEU A 6 10.635 -1.517 -13.538 1.00 43.32 H new ATOM 0 HD13 LEU A 6 9.219 -1.206 -12.506 1.00 43.32 H new ATOM 0 HD21 LEU A 6 10.526 -2.213 -9.905 1.00 20.05 H new ATOM 0 HD22 LEU A 6 8.880 -2.653 -10.419 1.00 20.05 H new ATOM 0 HD23 LEU A 6 10.071 -3.927 -10.061 1.00 20.05 H new ATOM 115 N ARG A 7 6.704 -4.971 -14.365 1.00 64.32 N ATOM 116 CA ARG A 7 6.204 -5.694 -15.528 1.00 64.14 C ATOM 117 C ARG A 7 6.029 -4.755 -16.718 1.00 44.12 C ATOM 118 O ARG A 7 6.687 -4.891 -17.750 1.00 70.21 O ATOM 119 CB ARG A 7 4.873 -6.373 -15.200 1.00 41.45 C ATOM 120 CG ARG A 7 4.950 -7.890 -15.187 1.00 61.51 C ATOM 121 CD ARG A 7 4.042 -8.485 -14.122 1.00 75.05 C ATOM 122 NE ARG A 7 2.864 -9.124 -14.703 1.00 34.12 N ATOM 123 CZ ARG A 7 1.762 -8.464 -15.042 1.00 73.41 C ATOM 124 NH1 ARG A 7 1.688 -7.153 -14.860 1.00 74.13 N ATOM 125 NH2 ARG A 7 0.731 -9.116 -15.565 1.00 60.40 N ATOM 0 H ARG A 7 6.191 -5.153 -13.502 1.00 64.32 H new ATOM 0 HA ARG A 7 6.937 -6.456 -15.793 1.00 64.14 H new ATOM 0 HB2 ARG A 7 4.529 -6.027 -14.225 1.00 41.45 H new ATOM 0 HB3 ARG A 7 4.126 -6.062 -15.931 1.00 41.45 H new ATOM 0 HG2 ARG A 7 4.668 -8.278 -16.166 1.00 61.51 H new ATOM 0 HG3 ARG A 7 5.979 -8.202 -15.005 1.00 61.51 H new ATOM 0 HD2 ARG A 7 4.600 -9.216 -13.537 1.00 75.05 H new ATOM 0 HD3 ARG A 7 3.727 -7.700 -13.434 1.00 75.05 H new ATOM 0 HE ARG A 7 2.889 -10.132 -14.857 1.00 34.12 H new ATOM 0 HH11 ARG A 7 2.478 -6.648 -14.459 1.00 74.13 H new ATOM 0 HH12 ARG A 7 0.841 -6.649 -15.121 1.00 74.13 H new ATOM 0 HH21 ARG A 7 0.784 -10.125 -15.707 1.00 60.40 H new ATOM 0 HH22 ARG A 7 -0.115 -8.608 -15.825 1.00 60.40 H new ATOM 139 N PRO A 8 5.121 -3.778 -16.573 1.00 64.41 N ATOM 140 CA PRO A 8 4.839 -2.798 -17.625 1.00 54.42 C ATOM 141 C PRO A 8 5.994 -1.826 -17.837 1.00 42.52 C ATOM 142 O PRO A 8 5.963 -0.997 -18.748 1.00 70.24 O ATOM 143 CB PRO A 8 3.607 -2.057 -17.098 1.00 71.21 C ATOM 144 CG PRO A 8 3.677 -2.211 -15.618 1.00 2.21 C ATOM 145 CD PRO A 8 4.301 -3.556 -15.370 1.00 62.34 C ATOM 0 HA PRO A 8 4.686 -3.273 -18.594 1.00 54.42 H new ATOM 0 HB2 PRO A 8 3.623 -1.006 -17.388 1.00 71.21 H new ATOM 0 HB3 PRO A 8 2.687 -2.484 -17.497 1.00 71.21 H new ATOM 0 HG2 PRO A 8 4.274 -1.416 -15.171 1.00 2.21 H new ATOM 0 HG3 PRO A 8 2.684 -2.154 -15.172 1.00 2.21 H new ATOM 0 HD2 PRO A 8 4.908 -3.557 -14.464 1.00 62.34 H new ATOM 0 HD3 PRO A 8 3.546 -4.333 -15.249 1.00 62.34 H new ATOM 153 N LEU A 9 7.013 -1.932 -16.992 1.00 1.35 N ATOM 154 CA LEU A 9 8.180 -1.062 -17.087 1.00 3.32 C ATOM 155 C LEU A 9 9.247 -1.678 -17.987 1.00 12.04 C ATOM 156 O LEU A 9 10.426 -1.336 -17.895 1.00 11.24 O ATOM 157 CB LEU A 9 8.760 -0.799 -15.696 1.00 20.02 C ATOM 158 CG LEU A 9 8.557 0.611 -15.139 1.00 74.52 C ATOM 159 CD1 LEU A 9 7.522 0.600 -14.025 1.00 12.22 C ATOM 160 CD2 LEU A 9 9.876 1.182 -14.639 1.00 55.05 C ATOM 0 H LEU A 9 7.055 -2.612 -16.233 1.00 1.35 H new ATOM 0 HA LEU A 9 7.862 -0.116 -17.526 1.00 3.32 H new ATOM 0 HB2 LEU A 9 8.317 -1.510 -14.999 1.00 20.02 H new ATOM 0 HB3 LEU A 9 9.830 -1.006 -15.725 1.00 20.02 H new ATOM 0 HG LEU A 9 8.189 1.249 -15.942 1.00 74.52 H new ATOM 0 HD11 LEU A 9 7.390 1.611 -13.641 1.00 12.22 H new ATOM 0 HD12 LEU A 9 6.572 0.233 -14.414 1.00 12.22 H new ATOM 0 HD13 LEU A 9 7.860 -0.053 -13.220 1.00 12.22 H new ATOM 0 HD21 LEU A 9 9.712 2.186 -14.246 1.00 55.05 H new ATOM 0 HD22 LEU A 9 10.273 0.544 -13.850 1.00 55.05 H new ATOM 0 HD23 LEU A 9 10.589 1.226 -15.462 1.00 55.05 H new ATOM 172 N LYS A 10 8.824 -2.587 -18.858 1.00 65.53 N ATOM 173 CA LYS A 10 9.741 -3.250 -19.778 1.00 45.13 C ATOM 174 C LYS A 10 11.039 -3.631 -19.073 1.00 30.31 C ATOM 175 O LYS A 10 11.102 -3.664 -17.844 1.00 71.13 O ATOM 176 CB LYS A 10 10.045 -2.340 -20.971 1.00 63.40 C ATOM 177 CG LYS A 10 10.947 -1.168 -20.627 1.00 44.34 C ATOM 178 CD LYS A 10 11.393 -0.423 -21.875 1.00 1.24 C ATOM 179 CE LYS A 10 10.551 0.822 -22.111 1.00 64.21 C ATOM 180 NZ LYS A 10 10.620 1.277 -23.527 1.00 44.13 N ATOM 0 H LYS A 10 7.852 -2.882 -18.947 1.00 65.53 H new ATOM 0 HA LYS A 10 9.261 -4.161 -20.136 1.00 45.13 H new ATOM 0 HB2 LYS A 10 10.515 -2.931 -21.757 1.00 63.40 H new ATOM 0 HB3 LYS A 10 9.107 -1.959 -21.375 1.00 63.40 H new ATOM 0 HG2 LYS A 10 10.419 -0.484 -19.963 1.00 44.34 H new ATOM 0 HG3 LYS A 10 11.821 -1.527 -20.085 1.00 44.34 H new ATOM 0 HD2 LYS A 10 12.441 -0.141 -21.777 1.00 1.24 H new ATOM 0 HD3 LYS A 10 11.320 -1.083 -22.740 1.00 1.24 H new ATOM 0 HE2 LYS A 10 9.514 0.615 -21.846 1.00 64.21 H new ATOM 0 HE3 LYS A 10 10.894 1.622 -21.455 1.00 64.21 H new ATOM 0 HZ1 LYS A 10 10.033 2.127 -23.647 1.00 44.13 H new ATOM 0 HZ2 LYS A 10 11.606 1.499 -23.773 1.00 44.13 H new ATOM 0 HZ3 LYS A 10 10.269 0.523 -24.151 1.00 44.13 H new ATOM 194 N ALA A 11 12.072 -3.917 -19.858 1.00 62.32 N ATOM 195 CA ALA A 11 13.369 -4.293 -19.308 1.00 52.32 C ATOM 196 C ALA A 11 14.409 -3.208 -19.566 1.00 63.23 C ATOM 197 O ALA A 11 14.284 -2.425 -20.506 1.00 54.43 O ATOM 198 CB ALA A 11 13.828 -5.618 -19.897 1.00 62.31 C ATOM 0 H ALA A 11 12.036 -3.896 -20.877 1.00 62.32 H new ATOM 0 HA ALA A 11 13.260 -4.406 -18.229 1.00 52.32 H new ATOM 0 HB1 ALA A 11 14.798 -5.886 -19.477 1.00 62.31 H new ATOM 0 HB2 ALA A 11 13.101 -6.394 -19.657 1.00 62.31 H new ATOM 0 HB3 ALA A 11 13.914 -5.524 -20.980 1.00 62.31 H new ATOM 204 N GLY A 12 15.438 -3.168 -18.724 1.00 74.41 N ATOM 205 CA GLY A 12 16.485 -2.175 -18.878 1.00 75.30 C ATOM 206 C GLY A 12 16.288 -0.980 -17.967 1.00 53.54 C ATOM 207 O GLY A 12 17.209 -0.572 -17.260 1.00 1.24 O ATOM 0 H GLY A 12 15.565 -3.806 -17.938 1.00 74.41 H new ATOM 0 HA2 GLY A 12 17.451 -2.634 -18.667 1.00 75.30 H new ATOM 0 HA3 GLY A 12 16.512 -1.838 -19.914 1.00 75.30 H new ATOM 211 N ILE A 13 15.085 -0.415 -17.986 1.00 72.31 N ATOM 212 CA ILE A 13 14.771 0.741 -17.156 1.00 41.12 C ATOM 213 C ILE A 13 14.135 0.315 -15.837 1.00 62.13 C ATOM 214 O ILE A 13 14.139 1.067 -14.862 1.00 73.14 O ATOM 215 CB ILE A 13 13.821 1.713 -17.881 1.00 2.02 C ATOM 216 CG1 ILE A 13 14.187 1.808 -19.363 1.00 44.23 C ATOM 217 CG2 ILE A 13 13.870 3.086 -17.228 1.00 40.52 C ATOM 218 CD1 ILE A 13 13.328 2.784 -20.136 1.00 43.14 C ATOM 0 H ILE A 13 14.312 -0.739 -18.567 1.00 72.31 H new ATOM 0 HA ILE A 13 15.714 1.250 -16.954 1.00 41.12 H new ATOM 0 HB ILE A 13 12.803 1.331 -17.802 1.00 2.02 H new ATOM 0 HG12 ILE A 13 15.232 2.106 -19.453 1.00 44.23 H new ATOM 0 HG13 ILE A 13 14.097 0.820 -19.815 1.00 44.23 H new ATOM 0 HG21 ILE A 13 13.194 3.762 -17.751 1.00 40.52 H new ATOM 0 HG22 ILE A 13 13.566 3.004 -16.185 1.00 40.52 H new ATOM 0 HG23 ILE A 13 14.886 3.477 -17.280 1.00 40.52 H new ATOM 0 HD11 ILE A 13 13.644 2.800 -21.179 1.00 43.14 H new ATOM 0 HD12 ILE A 13 12.284 2.476 -20.077 1.00 43.14 H new ATOM 0 HD13 ILE A 13 13.436 3.781 -19.709 1.00 43.14 H new ATOM 230 N PHE A 14 13.591 -0.897 -15.814 1.00 21.34 N ATOM 231 CA PHE A 14 12.952 -1.425 -14.614 1.00 13.11 C ATOM 232 C PHE A 14 13.957 -1.551 -13.473 1.00 32.13 C ATOM 233 O PHE A 14 13.600 -1.426 -12.302 1.00 2.53 O ATOM 234 CB PHE A 14 12.319 -2.788 -14.905 1.00 4.54 C ATOM 235 CG PHE A 14 13.299 -3.925 -14.860 1.00 3.03 C ATOM 236 CD1 PHE A 14 14.367 -3.973 -15.742 1.00 15.40 C ATOM 237 CD2 PHE A 14 13.153 -4.947 -13.935 1.00 51.24 C ATOM 238 CE1 PHE A 14 15.270 -5.018 -15.703 1.00 43.32 C ATOM 239 CE2 PHE A 14 14.054 -5.994 -13.892 1.00 34.14 C ATOM 240 CZ PHE A 14 15.113 -6.030 -14.777 1.00 71.33 C ATOM 0 H PHE A 14 13.580 -1.532 -16.612 1.00 21.34 H new ATOM 0 HA PHE A 14 12.171 -0.727 -14.311 1.00 13.11 H new ATOM 0 HB2 PHE A 14 11.526 -2.973 -14.181 1.00 4.54 H new ATOM 0 HB3 PHE A 14 11.852 -2.760 -15.889 1.00 4.54 H new ATOM 0 HD1 PHE A 14 14.495 -3.184 -16.468 1.00 15.40 H new ATOM 0 HD2 PHE A 14 12.326 -4.925 -13.240 1.00 51.24 H new ATOM 0 HE1 PHE A 14 16.098 -5.043 -16.396 1.00 43.32 H new ATOM 0 HE2 PHE A 14 13.930 -6.784 -13.166 1.00 34.14 H new ATOM 0 HZ PHE A 14 15.817 -6.848 -14.745 1.00 71.33 H new ATOM 250 N GLU A 15 15.214 -1.801 -13.824 1.00 43.24 N ATOM 251 CA GLU A 15 16.271 -1.945 -12.830 1.00 34.54 C ATOM 252 C GLU A 15 16.748 -0.581 -12.340 1.00 74.12 C ATOM 253 O GLU A 15 17.405 -0.476 -11.305 1.00 23.53 O ATOM 254 CB GLU A 15 17.447 -2.730 -13.413 1.00 64.23 C ATOM 255 CG GLU A 15 18.661 -2.776 -12.500 1.00 71.41 C ATOM 256 CD GLU A 15 19.742 -1.798 -12.917 1.00 21.33 C ATOM 257 OE1 GLU A 15 20.043 -1.727 -14.127 1.00 32.41 O ATOM 258 OE2 GLU A 15 20.288 -1.104 -12.033 1.00 74.45 O ATOM 0 H GLU A 15 15.525 -1.908 -14.789 1.00 43.24 H new ATOM 0 HA GLU A 15 15.863 -2.494 -11.981 1.00 34.54 H new ATOM 0 HB2 GLU A 15 17.123 -3.749 -13.625 1.00 64.23 H new ATOM 0 HB3 GLU A 15 17.735 -2.283 -14.364 1.00 64.23 H new ATOM 0 HG2 GLU A 15 18.351 -2.555 -11.478 1.00 71.41 H new ATOM 0 HG3 GLU A 15 19.071 -3.786 -12.498 1.00 71.41 H new ATOM 265 N ARG A 16 16.412 0.462 -13.093 1.00 32.52 N ATOM 266 CA ARG A 16 16.807 1.819 -12.737 1.00 52.15 C ATOM 267 C ARG A 16 15.761 2.472 -11.839 1.00 12.13 C ATOM 268 O ARG A 16 16.097 3.199 -10.903 1.00 23.12 O ATOM 269 CB ARG A 16 17.008 2.661 -13.999 1.00 2.13 C ATOM 270 CG ARG A 16 18.465 2.810 -14.406 1.00 21.52 C ATOM 271 CD ARG A 16 18.636 2.699 -15.913 1.00 25.23 C ATOM 272 NE ARG A 16 19.332 3.855 -16.471 1.00 10.31 N ATOM 273 CZ ARG A 16 20.642 4.048 -16.363 1.00 31.23 C ATOM 274 NH1 ARG A 16 21.394 3.165 -15.721 1.00 23.21 N ATOM 275 NH2 ARG A 16 21.202 5.125 -16.898 1.00 13.32 N ATOM 0 H ARG A 16 15.868 0.393 -13.953 1.00 32.52 H new ATOM 0 HA ARG A 16 17.748 1.765 -12.190 1.00 52.15 H new ATOM 0 HB2 ARG A 16 16.455 2.206 -14.821 1.00 2.13 H new ATOM 0 HB3 ARG A 16 16.582 3.651 -13.837 1.00 2.13 H new ATOM 0 HG2 ARG A 16 18.842 3.774 -14.066 1.00 21.52 H new ATOM 0 HG3 ARG A 16 19.062 2.043 -13.913 1.00 21.52 H new ATOM 0 HD2 ARG A 16 19.193 1.792 -16.149 1.00 25.23 H new ATOM 0 HD3 ARG A 16 17.657 2.604 -16.383 1.00 25.23 H new ATOM 0 HE ARG A 16 18.782 4.553 -16.971 1.00 10.31 H new ATOM 0 HH11 ARG A 16 20.967 2.335 -15.309 1.00 23.21 H new ATOM 0 HH12 ARG A 16 22.400 3.315 -15.639 1.00 23.21 H new ATOM 0 HH21 ARG A 16 20.627 5.806 -17.393 1.00 13.32 H new ATOM 0 HH22 ARG A 16 22.208 5.272 -16.814 1.00 13.32 H new ATOM 289 N LEU A 17 14.492 2.209 -12.129 1.00 74.13 N ATOM 290 CA LEU A 17 13.395 2.771 -11.348 1.00 4.01 C ATOM 291 C LEU A 17 13.292 2.090 -9.987 1.00 12.42 C ATOM 292 O LEU A 17 12.865 2.702 -9.008 1.00 31.30 O ATOM 293 CB LEU A 17 12.075 2.624 -12.106 1.00 51.21 C ATOM 294 CG LEU A 17 11.410 3.926 -12.554 1.00 13.22 C ATOM 295 CD1 LEU A 17 11.157 4.834 -11.360 1.00 42.55 C ATOM 296 CD2 LEU A 17 12.268 4.634 -13.593 1.00 35.42 C ATOM 0 H LEU A 17 14.197 1.610 -12.900 1.00 74.13 H new ATOM 0 HA LEU A 17 13.599 3.830 -11.190 1.00 4.01 H new ATOM 0 HB2 LEU A 17 12.252 2.008 -12.987 1.00 51.21 H new ATOM 0 HB3 LEU A 17 11.374 2.081 -11.473 1.00 51.21 H new ATOM 0 HG LEU A 17 10.450 3.683 -13.010 1.00 13.22 H new ATOM 0 HD11 LEU A 17 10.683 5.756 -11.698 1.00 42.55 H new ATOM 0 HD12 LEU A 17 10.502 4.328 -10.651 1.00 42.55 H new ATOM 0 HD13 LEU A 17 12.104 5.070 -10.875 1.00 42.55 H new ATOM 0 HD21 LEU A 17 11.779 5.558 -13.900 1.00 35.42 H new ATOM 0 HD22 LEU A 17 13.243 4.865 -13.164 1.00 35.42 H new ATOM 0 HD23 LEU A 17 12.397 3.987 -14.460 1.00 35.42 H new ATOM 308 N GLU A 18 13.687 0.822 -9.933 1.00 44.33 N ATOM 309 CA GLU A 18 13.640 0.060 -8.691 1.00 71.23 C ATOM 310 C GLU A 18 14.423 0.767 -7.589 1.00 22.43 C ATOM 311 O GLU A 18 14.112 0.628 -6.406 1.00 62.33 O ATOM 312 CB GLU A 18 14.201 -1.347 -8.909 1.00 33.12 C ATOM 313 CG GLU A 18 13.353 -2.443 -8.286 1.00 31.32 C ATOM 314 CD GLU A 18 13.367 -3.724 -9.097 1.00 61.24 C ATOM 315 OE1 GLU A 18 12.675 -3.777 -10.135 1.00 61.43 O ATOM 316 OE2 GLU A 18 14.071 -4.674 -8.694 1.00 3.52 O ATOM 0 H GLU A 18 14.043 0.301 -10.734 1.00 44.33 H new ATOM 0 HA GLU A 18 12.598 -0.016 -8.380 1.00 71.23 H new ATOM 0 HB2 GLU A 18 14.290 -1.532 -9.980 1.00 33.12 H new ATOM 0 HB3 GLU A 18 15.207 -1.397 -8.493 1.00 33.12 H new ATOM 0 HG2 GLU A 18 13.717 -2.651 -7.280 1.00 31.32 H new ATOM 0 HG3 GLU A 18 12.326 -2.091 -8.188 1.00 31.32 H new ATOM 323 N GLU A 19 15.441 1.524 -7.986 1.00 70.12 N ATOM 324 CA GLU A 19 16.270 2.251 -7.032 1.00 34.03 C ATOM 325 C GLU A 19 15.585 3.541 -6.589 1.00 43.23 C ATOM 326 O GLU A 19 15.755 3.990 -5.455 1.00 11.02 O ATOM 327 CB GLU A 19 17.634 2.569 -7.646 1.00 3.30 C ATOM 328 CG GLU A 19 18.432 3.594 -6.858 1.00 3.40 C ATOM 329 CD GLU A 19 18.458 4.954 -7.528 1.00 44.24 C ATOM 330 OE1 GLU A 19 18.944 5.042 -8.676 1.00 33.35 O ATOM 331 OE2 GLU A 19 17.993 5.931 -6.905 1.00 53.31 O ATOM 0 H GLU A 19 15.711 1.650 -8.961 1.00 70.12 H new ATOM 0 HA GLU A 19 16.413 1.617 -6.157 1.00 34.03 H new ATOM 0 HB2 GLU A 19 18.213 1.649 -7.720 1.00 3.30 H new ATOM 0 HB3 GLU A 19 17.489 2.937 -8.662 1.00 3.30 H new ATOM 0 HG2 GLU A 19 18.004 3.693 -5.860 1.00 3.40 H new ATOM 0 HG3 GLU A 19 19.454 3.235 -6.733 1.00 3.40 H new ATOM 338 N LEU A 20 14.812 4.133 -7.493 1.00 0.43 N ATOM 339 CA LEU A 20 14.102 5.373 -7.197 1.00 74.22 C ATOM 340 C LEU A 20 13.078 5.162 -6.086 1.00 4.33 C ATOM 341 O LEU A 20 12.788 6.077 -5.314 1.00 43.35 O ATOM 342 CB LEU A 20 13.405 5.897 -8.454 1.00 64.24 C ATOM 343 CG LEU A 20 13.995 7.167 -9.068 1.00 13.41 C ATOM 344 CD1 LEU A 20 14.955 6.820 -10.195 1.00 53.31 C ATOM 345 CD2 LEU A 20 12.886 8.080 -9.571 1.00 41.41 C ATOM 0 H LEU A 20 14.661 3.775 -8.436 1.00 0.43 H new ATOM 0 HA LEU A 20 14.832 6.109 -6.859 1.00 74.22 H new ATOM 0 HB2 LEU A 20 13.421 5.111 -9.209 1.00 64.24 H new ATOM 0 HB3 LEU A 20 12.359 6.086 -8.213 1.00 64.24 H new ATOM 0 HG LEU A 20 14.552 7.696 -8.295 1.00 13.41 H new ATOM 0 HD11 LEU A 20 15.365 7.737 -10.619 1.00 53.31 H new ATOM 0 HD12 LEU A 20 15.767 6.206 -9.805 1.00 53.31 H new ATOM 0 HD13 LEU A 20 14.423 6.268 -10.969 1.00 53.31 H new ATOM 0 HD21 LEU A 20 13.324 8.979 -10.005 1.00 41.41 H new ATOM 0 HD22 LEU A 20 12.301 7.559 -10.329 1.00 41.41 H new ATOM 0 HD23 LEU A 20 12.238 8.357 -8.740 1.00 41.41 H new ATOM 357 N ILE A 21 12.537 3.951 -6.009 1.00 0.33 N ATOM 358 CA ILE A 21 11.549 3.620 -4.989 1.00 41.24 C ATOM 359 C ILE A 21 12.222 3.150 -3.704 1.00 53.11 C ATOM 360 O ILE A 21 11.691 3.338 -2.610 1.00 74.32 O ATOM 361 CB ILE A 21 10.581 2.527 -5.478 1.00 55.22 C ATOM 362 CG1 ILE A 21 9.530 2.229 -4.406 1.00 40.53 C ATOM 363 CG2 ILE A 21 11.347 1.264 -5.842 1.00 0.24 C ATOM 364 CD1 ILE A 21 8.733 3.445 -3.987 1.00 71.15 C ATOM 0 H ILE A 21 12.766 3.183 -6.640 1.00 0.33 H new ATOM 0 HA ILE A 21 10.985 4.531 -4.788 1.00 41.24 H new ATOM 0 HB ILE A 21 10.070 2.888 -6.371 1.00 55.22 H new ATOM 0 HG12 ILE A 21 8.846 1.468 -4.781 1.00 40.53 H new ATOM 0 HG13 ILE A 21 10.025 1.809 -3.530 1.00 40.53 H new ATOM 0 HG21 ILE A 21 10.648 0.501 -6.186 1.00 0.24 H new ATOM 0 HG22 ILE A 21 12.060 1.487 -6.636 1.00 0.24 H new ATOM 0 HG23 ILE A 21 11.882 0.898 -4.966 1.00 0.24 H new ATOM 0 HD11 ILE A 21 8.007 3.160 -3.225 1.00 71.15 H new ATOM 0 HD12 ILE A 21 9.407 4.200 -3.582 1.00 71.15 H new ATOM 0 HD13 ILE A 21 8.210 3.853 -4.852 1.00 71.15 H new ATOM 376 N GLU A 22 13.394 2.540 -3.845 1.00 62.32 N ATOM 377 CA GLU A 22 14.140 2.044 -2.694 1.00 72.34 C ATOM 378 C GLU A 22 14.442 3.173 -1.714 1.00 43.42 C ATOM 379 O GLU A 22 14.583 2.947 -0.512 1.00 43.12 O ATOM 380 CB GLU A 22 15.444 1.385 -3.149 1.00 0.20 C ATOM 381 CG GLU A 22 15.554 -0.080 -2.761 1.00 54.22 C ATOM 382 CD GLU A 22 14.304 -0.868 -3.102 1.00 30.53 C ATOM 383 OE1 GLU A 22 13.581 -0.462 -4.035 1.00 63.13 O ATOM 384 OE2 GLU A 22 14.049 -1.893 -2.434 1.00 4.31 O ATOM 0 H GLU A 22 13.848 2.377 -4.744 1.00 62.32 H new ATOM 0 HA GLU A 22 13.524 1.301 -2.187 1.00 72.34 H new ATOM 0 HB2 GLU A 22 15.526 1.472 -4.232 1.00 0.20 H new ATOM 0 HB3 GLU A 22 16.285 1.930 -2.720 1.00 0.20 H new ATOM 0 HG2 GLU A 22 16.409 -0.524 -3.270 1.00 54.22 H new ATOM 0 HG3 GLU A 22 15.746 -0.155 -1.691 1.00 54.22 H new ATOM 391 N LYS A 23 14.541 4.391 -2.236 1.00 44.14 N ATOM 392 CA LYS A 23 14.826 5.558 -1.410 1.00 25.24 C ATOM 393 C LYS A 23 13.668 5.849 -0.461 1.00 20.51 C ATOM 394 O LYS A 23 13.873 6.324 0.655 1.00 21.44 O ATOM 395 CB LYS A 23 15.097 6.779 -2.291 1.00 54.40 C ATOM 396 CG LYS A 23 16.573 7.089 -2.465 1.00 64.04 C ATOM 397 CD LYS A 23 16.788 8.484 -3.029 1.00 70.41 C ATOM 398 CE LYS A 23 16.331 8.576 -4.477 1.00 21.01 C ATOM 399 NZ LYS A 23 17.476 8.770 -5.409 1.00 4.13 N ATOM 0 H LYS A 23 14.428 4.596 -3.229 1.00 44.14 H new ATOM 0 HA LYS A 23 15.714 5.343 -0.816 1.00 25.24 H new ATOM 0 HB2 LYS A 23 14.651 6.615 -3.272 1.00 54.40 H new ATOM 0 HB3 LYS A 23 14.601 7.647 -1.857 1.00 54.40 H new ATOM 0 HG2 LYS A 23 17.080 7.002 -1.504 1.00 64.04 H new ATOM 0 HG3 LYS A 23 17.024 6.353 -3.131 1.00 64.04 H new ATOM 0 HD2 LYS A 23 16.241 9.209 -2.427 1.00 70.41 H new ATOM 0 HD3 LYS A 23 17.844 8.746 -2.962 1.00 70.41 H new ATOM 0 HE2 LYS A 23 15.793 7.667 -4.747 1.00 21.01 H new ATOM 0 HE3 LYS A 23 15.631 9.404 -4.585 1.00 21.01 H new ATOM 0 HZ1 LYS A 23 17.193 9.410 -6.178 1.00 4.13 H new ATOM 0 HZ2 LYS A 23 18.278 9.183 -4.892 1.00 4.13 H new ATOM 0 HZ3 LYS A 23 17.758 7.852 -5.809 1.00 4.13 H new ATOM 413 N GLU A 24 12.452 5.559 -0.913 1.00 32.43 N ATOM 414 CA GLU A 24 11.262 5.789 -0.102 1.00 74.04 C ATOM 415 C GLU A 24 11.041 4.641 0.879 1.00 2.41 C ATOM 416 O GLU A 24 10.709 4.862 2.043 1.00 31.13 O ATOM 417 CB GLU A 24 10.032 5.952 -0.998 1.00 14.12 C ATOM 418 CG GLU A 24 9.208 7.189 -0.682 1.00 3.45 C ATOM 419 CD GLU A 24 7.913 6.861 0.035 1.00 71.32 C ATOM 420 OE1 GLU A 24 7.111 6.080 -0.520 1.00 13.25 O ATOM 421 OE2 GLU A 24 7.701 7.383 1.149 1.00 40.52 O ATOM 0 H GLU A 24 12.265 5.165 -1.835 1.00 32.43 H new ATOM 0 HA GLU A 24 11.413 6.706 0.467 1.00 74.04 H new ATOM 0 HB2 GLU A 24 10.354 5.996 -2.038 1.00 14.12 H new ATOM 0 HB3 GLU A 24 9.400 5.069 -0.897 1.00 14.12 H new ATOM 0 HG2 GLU A 24 9.799 7.866 -0.065 1.00 3.45 H new ATOM 0 HG3 GLU A 24 8.982 7.717 -1.609 1.00 3.45 H new ATOM 428 N MET A 25 11.228 3.416 0.399 1.00 1.24 N ATOM 429 CA MET A 25 11.050 2.234 1.234 1.00 24.22 C ATOM 430 C MET A 25 11.848 2.357 2.529 1.00 53.43 C ATOM 431 O MET A 25 12.921 2.960 2.551 1.00 33.44 O ATOM 432 CB MET A 25 11.481 0.977 0.474 1.00 13.55 C ATOM 433 CG MET A 25 10.678 0.728 -0.792 1.00 12.30 C ATOM 434 SD MET A 25 8.924 0.467 -0.463 1.00 4.03 S ATOM 435 CE MET A 25 8.999 -0.873 0.723 1.00 33.05 C ATOM 0 H MET A 25 11.502 3.216 -0.563 1.00 1.24 H new ATOM 0 HA MET A 25 9.992 2.154 1.486 1.00 24.22 H new ATOM 0 HB2 MET A 25 12.536 1.063 0.214 1.00 13.55 H new ATOM 0 HB3 MET A 25 11.384 0.113 1.132 1.00 13.55 H new ATOM 0 HG2 MET A 25 10.795 1.578 -1.465 1.00 12.30 H new ATOM 0 HG3 MET A 25 11.081 -0.144 -1.307 1.00 12.30 H new ATOM 0 HE1 MET A 25 8.113 -1.500 0.620 1.00 33.05 H new ATOM 0 HE2 MET A 25 9.891 -1.472 0.539 1.00 33.05 H new ATOM 0 HE3 MET A 25 9.039 -0.464 1.732 1.00 33.05 H new ATOM 445 N GLN A 26 11.316 1.784 3.603 1.00 33.03 N ATOM 446 CA GLN A 26 11.978 1.832 4.901 1.00 24.22 C ATOM 447 C GLN A 26 13.279 1.036 4.878 1.00 31.50 C ATOM 448 O GLN A 26 13.505 0.195 4.008 1.00 60.44 O ATOM 449 CB GLN A 26 11.053 1.288 5.991 1.00 73.45 C ATOM 450 CG GLN A 26 10.481 2.365 6.898 1.00 44.32 C ATOM 451 CD GLN A 26 10.412 1.931 8.348 1.00 21.44 C ATOM 452 OE1 GLN A 26 11.408 1.977 9.071 1.00 42.22 O ATOM 453 NE2 GLN A 26 9.232 1.504 8.783 1.00 10.53 N ATOM 0 H GLN A 26 10.429 1.281 3.600 1.00 33.03 H new ATOM 0 HA GLN A 26 12.213 2.873 5.122 1.00 24.22 H new ATOM 0 HB2 GLN A 26 10.232 0.746 5.522 1.00 73.45 H new ATOM 0 HB3 GLN A 26 11.604 0.569 6.597 1.00 73.45 H new ATOM 0 HG2 GLN A 26 11.094 3.263 6.820 1.00 44.32 H new ATOM 0 HG3 GLN A 26 9.481 2.631 6.554 1.00 44.32 H new ATOM 0 HE21 GLN A 26 8.432 1.482 8.150 1.00 10.53 H new ATOM 0 HE22 GLN A 26 9.125 1.198 9.750 1.00 10.53 H new ATOM 462 N PRO A 27 14.156 1.305 5.856 1.00 11.14 N ATOM 463 CA PRO A 27 15.449 0.624 5.970 1.00 1.12 C ATOM 464 C PRO A 27 15.300 -0.839 6.373 1.00 62.01 C ATOM 465 O PRO A 27 16.280 -1.581 6.424 1.00 21.01 O ATOM 466 CB PRO A 27 16.169 1.411 7.069 1.00 73.44 C ATOM 467 CG PRO A 27 15.075 2.008 7.885 1.00 22.34 C ATOM 468 CD PRO A 27 13.952 2.295 6.927 1.00 4.13 C ATOM 0 HA PRO A 27 15.984 0.604 5.021 1.00 1.12 H new ATOM 0 HB2 PRO A 27 16.803 0.760 7.672 1.00 73.44 H new ATOM 0 HB3 PRO A 27 16.814 2.182 6.647 1.00 73.44 H new ATOM 0 HG2 PRO A 27 14.754 1.322 8.668 1.00 22.34 H new ATOM 0 HG3 PRO A 27 15.410 2.921 8.378 1.00 22.34 H new ATOM 0 HD2 PRO A 27 12.978 2.178 7.403 1.00 4.13 H new ATOM 0 HD3 PRO A 27 14.000 3.315 6.546 1.00 4.13 H new ATOM 476 N ASN A 28 14.068 -1.247 6.658 1.00 72.34 N ATOM 477 CA ASN A 28 13.791 -2.623 7.056 1.00 2.30 C ATOM 478 C ASN A 28 12.401 -3.053 6.597 1.00 65.15 C ATOM 479 O ASN A 28 11.699 -3.773 7.305 1.00 73.12 O ATOM 480 CB ASN A 28 13.906 -2.769 8.575 1.00 44.43 C ATOM 481 CG ASN A 28 14.657 -4.023 8.980 1.00 52.33 C ATOM 482 OD1 ASN A 28 15.739 -3.951 9.563 1.00 72.03 O ATOM 483 ND2 ASN A 28 14.084 -5.180 8.671 1.00 31.33 N ATOM 0 H ASN A 28 13.245 -0.645 6.621 1.00 72.34 H new ATOM 0 HA ASN A 28 14.528 -3.268 6.578 1.00 2.30 H new ATOM 0 HB2 ASN A 28 14.415 -1.896 8.984 1.00 44.43 H new ATOM 0 HB3 ASN A 28 12.908 -2.790 9.012 1.00 44.43 H new ATOM 0 HD21 ASN A 28 14.542 -6.058 8.917 1.00 31.33 H new ATOM 0 HD22 ASN A 28 13.186 -5.191 8.187 1.00 31.33 H new ATOM 490 N GLU A 29 12.013 -2.607 5.406 1.00 1.20 N ATOM 491 CA GLU A 29 10.707 -2.946 4.853 1.00 64.14 C ATOM 492 C GLU A 29 10.849 -3.902 3.671 1.00 12.05 C ATOM 493 O GLU A 29 11.938 -4.075 3.125 1.00 4.12 O ATOM 494 CB GLU A 29 9.971 -1.679 4.412 1.00 33.32 C ATOM 495 CG GLU A 29 8.770 -1.340 5.280 1.00 25.52 C ATOM 496 CD GLU A 29 7.741 -0.501 4.550 1.00 52.53 C ATOM 497 OE1 GLU A 29 7.102 -1.025 3.614 1.00 64.15 O ATOM 498 OE2 GLU A 29 7.573 0.682 4.915 1.00 24.01 O ATOM 0 H GLU A 29 12.584 -2.011 4.806 1.00 1.20 H new ATOM 0 HA GLU A 29 10.128 -3.441 5.632 1.00 64.14 H new ATOM 0 HB2 GLU A 29 10.667 -0.841 4.426 1.00 33.32 H new ATOM 0 HB3 GLU A 29 9.640 -1.801 3.381 1.00 33.32 H new ATOM 0 HG2 GLU A 29 8.303 -2.263 5.624 1.00 25.52 H new ATOM 0 HG3 GLU A 29 9.107 -0.804 6.167 1.00 25.52 H new ATOM 505 N VAL A 30 9.739 -4.521 3.283 1.00 74.32 N ATOM 506 CA VAL A 30 9.737 -5.459 2.167 1.00 64.53 C ATOM 507 C VAL A 30 9.305 -4.776 0.875 1.00 51.34 C ATOM 508 O VAL A 30 8.455 -3.886 0.886 1.00 73.14 O ATOM 509 CB VAL A 30 8.805 -6.655 2.439 1.00 12.42 C ATOM 510 CG1 VAL A 30 7.831 -6.846 1.286 1.00 21.14 C ATOM 511 CG2 VAL A 30 9.616 -7.919 2.678 1.00 31.14 C ATOM 0 H VAL A 30 8.829 -4.390 3.725 1.00 74.32 H new ATOM 0 HA VAL A 30 10.759 -5.822 2.058 1.00 64.53 H new ATOM 0 HB VAL A 30 8.228 -6.446 3.340 1.00 12.42 H new ATOM 0 HG11 VAL A 30 7.181 -7.695 1.496 1.00 21.14 H new ATOM 0 HG12 VAL A 30 7.227 -5.947 1.168 1.00 21.14 H new ATOM 0 HG13 VAL A 30 8.387 -7.033 0.367 1.00 21.14 H new ATOM 0 HG21 VAL A 30 8.941 -8.754 2.868 1.00 31.14 H new ATOM 0 HG22 VAL A 30 10.221 -8.135 1.797 1.00 31.14 H new ATOM 0 HG23 VAL A 30 10.268 -7.776 3.540 1.00 31.14 H new ATOM 521 N ALA A 31 9.896 -5.198 -0.238 1.00 50.03 N ATOM 522 CA ALA A 31 9.570 -4.628 -1.540 1.00 21.22 C ATOM 523 C ALA A 31 9.483 -5.713 -2.608 1.00 35.23 C ATOM 524 O ALA A 31 10.485 -6.340 -2.952 1.00 73.41 O ATOM 525 CB ALA A 31 10.603 -3.582 -1.931 1.00 52.33 C ATOM 0 H ALA A 31 10.603 -5.933 -0.264 1.00 50.03 H new ATOM 0 HA ALA A 31 8.594 -4.149 -1.466 1.00 21.22 H new ATOM 0 HB1 ALA A 31 10.348 -3.165 -2.905 1.00 52.33 H new ATOM 0 HB2 ALA A 31 10.614 -2.786 -1.187 1.00 52.33 H new ATOM 0 HB3 ALA A 31 11.588 -4.045 -1.982 1.00 52.33 H new ATOM 531 N ILE A 32 8.279 -5.930 -3.127 1.00 51.22 N ATOM 532 CA ILE A 32 8.062 -6.939 -4.156 1.00 72.11 C ATOM 533 C ILE A 32 8.107 -6.322 -5.550 1.00 2.12 C ATOM 534 O ILE A 32 7.214 -5.567 -5.936 1.00 20.52 O ATOM 535 CB ILE A 32 6.711 -7.654 -3.967 1.00 71.13 C ATOM 536 CG1 ILE A 32 6.824 -8.725 -2.881 1.00 34.44 C ATOM 537 CG2 ILE A 32 6.249 -8.270 -5.280 1.00 4.32 C ATOM 538 CD1 ILE A 32 5.763 -8.612 -1.808 1.00 73.33 C ATOM 0 H ILE A 32 7.439 -5.421 -2.852 1.00 51.22 H new ATOM 0 HA ILE A 32 8.867 -7.668 -4.058 1.00 72.11 H new ATOM 0 HB ILE A 32 5.969 -6.920 -3.652 1.00 71.13 H new ATOM 0 HG12 ILE A 32 6.757 -9.709 -3.344 1.00 34.44 H new ATOM 0 HG13 ILE A 32 7.808 -8.658 -2.416 1.00 34.44 H new ATOM 0 HG21 ILE A 32 5.293 -8.772 -5.130 1.00 4.32 H new ATOM 0 HG22 ILE A 32 6.134 -7.486 -6.029 1.00 4.32 H new ATOM 0 HG23 ILE A 32 6.989 -8.994 -5.623 1.00 4.32 H new ATOM 0 HD11 ILE A 32 5.905 -9.403 -1.072 1.00 73.33 H new ATOM 0 HD12 ILE A 32 5.843 -7.642 -1.318 1.00 73.33 H new ATOM 0 HD13 ILE A 32 4.776 -8.710 -2.260 1.00 73.33 H new ATOM 550 N PHE A 33 9.153 -6.649 -6.302 1.00 13.00 N ATOM 551 CA PHE A 33 9.315 -6.128 -7.654 1.00 53.42 C ATOM 552 C PHE A 33 9.023 -7.207 -8.692 1.00 71.40 C ATOM 553 O PHE A 33 9.841 -8.097 -8.925 1.00 3.51 O ATOM 554 CB PHE A 33 10.733 -5.587 -7.849 1.00 31.22 C ATOM 555 CG PHE A 33 11.188 -4.684 -6.738 1.00 52.24 C ATOM 556 CD1 PHE A 33 10.312 -3.778 -6.162 1.00 42.30 C ATOM 557 CD2 PHE A 33 12.491 -4.741 -6.271 1.00 33.14 C ATOM 558 CE1 PHE A 33 10.729 -2.945 -5.141 1.00 15.13 C ATOM 559 CE2 PHE A 33 12.913 -3.911 -5.249 1.00 54.11 C ATOM 560 CZ PHE A 33 12.030 -3.012 -4.683 1.00 31.42 C ATOM 0 H PHE A 33 9.901 -7.272 -5.998 1.00 13.00 H new ATOM 0 HA PHE A 33 8.602 -5.315 -7.791 1.00 53.42 H new ATOM 0 HB2 PHE A 33 11.425 -6.425 -7.932 1.00 31.22 H new ATOM 0 HB3 PHE A 33 10.779 -5.042 -8.792 1.00 31.22 H new ATOM 0 HD1 PHE A 33 9.293 -3.722 -6.515 1.00 42.30 H new ATOM 0 HD2 PHE A 33 13.185 -5.442 -6.710 1.00 33.14 H new ATOM 0 HE1 PHE A 33 10.037 -2.242 -4.701 1.00 15.13 H new ATOM 0 HE2 PHE A 33 13.931 -3.965 -4.894 1.00 54.11 H new ATOM 0 HZ PHE A 33 12.356 -2.363 -3.884 1.00 31.42 H new ATOM 570 N MET A 34 7.850 -7.123 -9.312 1.00 3.32 N ATOM 571 CA MET A 34 7.450 -8.092 -10.325 1.00 42.13 C ATOM 572 C MET A 34 8.084 -7.762 -11.673 1.00 71.21 C ATOM 573 O MET A 34 8.222 -6.594 -12.036 1.00 53.21 O ATOM 574 CB MET A 34 5.926 -8.123 -10.459 1.00 5.32 C ATOM 575 CG MET A 34 5.241 -8.972 -9.401 1.00 72.43 C ATOM 576 SD MET A 34 3.483 -8.603 -9.246 1.00 73.43 S ATOM 577 CE MET A 34 2.964 -8.701 -10.958 1.00 2.41 C ATOM 0 H MET A 34 7.160 -6.394 -9.130 1.00 3.32 H new ATOM 0 HA MET A 34 7.800 -9.075 -10.010 1.00 42.13 H new ATOM 0 HB2 MET A 34 5.543 -7.104 -10.400 1.00 5.32 H new ATOM 0 HB3 MET A 34 5.664 -8.505 -11.446 1.00 5.32 H new ATOM 0 HG2 MET A 34 5.367 -10.026 -9.649 1.00 72.43 H new ATOM 0 HG3 MET A 34 5.728 -8.811 -8.439 1.00 72.43 H new ATOM 0 HE1 MET A 34 1.930 -9.044 -11.006 1.00 2.41 H new ATOM 0 HE2 MET A 34 3.042 -7.716 -11.419 1.00 2.41 H new ATOM 0 HE3 MET A 34 3.604 -9.403 -11.493 1.00 2.41 H new ATOM 587 N PHE A 35 8.468 -8.799 -12.411 1.00 1.43 N ATOM 588 CA PHE A 35 9.089 -8.618 -13.718 1.00 75.40 C ATOM 589 C PHE A 35 8.672 -9.731 -14.676 1.00 24.35 C ATOM 590 O PHE A 35 8.769 -10.913 -14.348 1.00 73.41 O ATOM 591 CB PHE A 35 10.612 -8.589 -13.583 1.00 64.43 C ATOM 592 CG PHE A 35 11.201 -9.901 -13.147 1.00 14.33 C ATOM 593 CD1 PHE A 35 10.939 -10.406 -11.883 1.00 43.13 C ATOM 594 CD2 PHE A 35 12.015 -10.628 -14.000 1.00 4.34 C ATOM 595 CE1 PHE A 35 11.479 -11.612 -11.478 1.00 72.45 C ATOM 596 CE2 PHE A 35 12.557 -11.835 -13.600 1.00 42.15 C ATOM 597 CZ PHE A 35 12.290 -12.327 -12.338 1.00 74.30 C ATOM 0 H PHE A 35 8.360 -9.772 -12.126 1.00 1.43 H new ATOM 0 HA PHE A 35 8.750 -7.666 -14.126 1.00 75.40 H new ATOM 0 HB2 PHE A 35 11.048 -8.304 -14.541 1.00 64.43 H new ATOM 0 HB3 PHE A 35 10.890 -7.818 -12.864 1.00 64.43 H new ATOM 0 HD1 PHE A 35 10.306 -9.851 -11.207 1.00 43.13 H new ATOM 0 HD2 PHE A 35 12.228 -10.248 -14.988 1.00 4.34 H new ATOM 0 HE1 PHE A 35 11.267 -11.995 -10.491 1.00 72.45 H new ATOM 0 HE2 PHE A 35 13.189 -12.393 -14.275 1.00 42.15 H new ATOM 0 HZ PHE A 35 12.714 -13.269 -12.024 1.00 74.30 H new ATOM 607 N GLU A 36 8.209 -9.343 -15.859 1.00 41.35 N ATOM 608 CA GLU A 36 7.777 -10.307 -16.864 1.00 31.41 C ATOM 609 C GLU A 36 8.727 -10.312 -18.058 1.00 55.54 C ATOM 610 O GLU A 36 8.641 -11.175 -18.931 1.00 75.52 O ATOM 611 CB GLU A 36 6.355 -9.989 -17.330 1.00 73.11 C ATOM 612 CG GLU A 36 6.250 -8.702 -18.131 1.00 65.10 C ATOM 613 CD GLU A 36 6.570 -8.902 -19.600 1.00 14.40 C ATOM 614 OE1 GLU A 36 6.578 -10.065 -20.053 1.00 64.11 O ATOM 615 OE2 GLU A 36 6.810 -7.893 -20.296 1.00 63.24 O ATOM 0 H GLU A 36 8.123 -8.368 -16.146 1.00 41.35 H new ATOM 0 HA GLU A 36 7.789 -11.297 -16.409 1.00 31.41 H new ATOM 0 HB2 GLU A 36 5.987 -10.816 -17.937 1.00 73.11 H new ATOM 0 HB3 GLU A 36 5.703 -9.919 -16.459 1.00 73.11 H new ATOM 0 HG2 GLU A 36 5.242 -8.299 -18.034 1.00 65.10 H new ATOM 0 HG3 GLU A 36 6.931 -7.961 -17.712 1.00 65.10 H new ATOM 688 N ASN A 42 19.489 -8.941 -13.593 1.00 13.10 N ATOM 689 CA ASN A 42 19.522 -7.530 -13.226 1.00 50.21 C ATOM 690 C ASN A 42 18.658 -7.267 -11.996 1.00 65.00 C ATOM 691 O ASN A 42 18.881 -6.302 -11.264 1.00 31.42 O ATOM 692 CB ASN A 42 19.042 -6.666 -14.394 1.00 74.22 C ATOM 693 CG ASN A 42 20.143 -5.786 -14.954 1.00 34.14 C ATOM 694 OD1 ASN A 42 21.051 -5.375 -14.232 1.00 22.34 O ATOM 695 ND2 ASN A 42 20.066 -5.492 -16.246 1.00 75.23 N ATOM 0 HA ASN A 42 20.552 -7.267 -12.987 1.00 50.21 H new ATOM 0 HB2 ASN A 42 18.658 -7.310 -15.185 1.00 74.22 H new ATOM 0 HB3 ASN A 42 18.214 -6.040 -14.063 1.00 74.22 H new ATOM 0 HD21 ASN A 42 20.778 -4.903 -16.678 1.00 75.23 H new ATOM 0 HD22 ASN A 42 19.295 -5.855 -16.807 1.00 75.23 H new ATOM 702 N ILE A 43 17.674 -8.132 -11.776 1.00 11.45 N ATOM 703 CA ILE A 43 16.778 -7.994 -10.634 1.00 5.13 C ATOM 704 C ILE A 43 17.559 -7.721 -9.353 1.00 23.15 C ATOM 705 O ILE A 43 17.352 -6.717 -8.671 1.00 53.24 O ATOM 706 CB ILE A 43 15.918 -9.256 -10.438 1.00 14.20 C ATOM 707 CG1 ILE A 43 14.646 -9.168 -11.284 1.00 34.11 C ATOM 708 CG2 ILE A 43 15.571 -9.438 -8.968 1.00 0.22 C ATOM 709 CD1 ILE A 43 13.707 -8.064 -10.850 1.00 74.34 C ATOM 0 H ILE A 43 17.477 -8.935 -12.373 1.00 11.45 H new ATOM 0 HA ILE A 43 16.124 -7.148 -10.846 1.00 5.13 H new ATOM 0 HB ILE A 43 16.491 -10.123 -10.766 1.00 14.20 H new ATOM 0 HG12 ILE A 43 14.923 -9.010 -12.326 1.00 34.11 H new ATOM 0 HG13 ILE A 43 14.120 -10.121 -11.235 1.00 34.11 H new ATOM 0 HG21 ILE A 43 14.963 -10.334 -8.846 1.00 0.22 H new ATOM 0 HG22 ILE A 43 16.488 -9.540 -8.388 1.00 0.22 H new ATOM 0 HG23 ILE A 43 15.013 -8.570 -8.616 1.00 0.22 H new ATOM 0 HD11 ILE A 43 12.827 -8.061 -11.494 1.00 74.34 H new ATOM 0 HD12 ILE A 43 13.401 -8.232 -9.818 1.00 74.34 H new ATOM 0 HD13 ILE A 43 14.216 -7.103 -10.926 1.00 74.34 H new ATOM 721 N PRO A 44 18.481 -8.635 -9.016 1.00 25.12 N ATOM 722 CA PRO A 44 19.314 -8.514 -7.816 1.00 24.14 C ATOM 723 C PRO A 44 20.333 -7.385 -7.928 1.00 52.21 C ATOM 724 O PRO A 44 20.896 -6.941 -6.928 1.00 3.34 O ATOM 725 CB PRO A 44 20.024 -9.868 -7.738 1.00 70.33 C ATOM 726 CG PRO A 44 20.045 -10.366 -9.142 1.00 41.54 C ATOM 727 CD PRO A 44 18.782 -9.857 -9.781 1.00 44.40 C ATOM 0 HA PRO A 44 18.722 -8.276 -6.932 1.00 24.14 H new ATOM 0 HB2 PRO A 44 21.033 -9.763 -7.340 1.00 70.33 H new ATOM 0 HB3 PRO A 44 19.492 -10.557 -7.082 1.00 70.33 H new ATOM 0 HG2 PRO A 44 20.925 -10.002 -9.672 1.00 41.54 H new ATOM 0 HG3 PRO A 44 20.085 -11.455 -9.169 1.00 41.54 H new ATOM 0 HD2 PRO A 44 18.926 -9.643 -10.840 1.00 44.40 H new ATOM 0 HD3 PRO A 44 17.974 -10.585 -9.710 1.00 44.40 H new ATOM 735 N LYS A 45 20.565 -6.923 -9.152 1.00 74.23 N ATOM 736 CA LYS A 45 21.514 -5.844 -9.397 1.00 1.14 C ATOM 737 C LYS A 45 20.927 -4.499 -8.982 1.00 53.54 C ATOM 738 O LYS A 45 21.650 -3.603 -8.547 1.00 52.50 O ATOM 739 CB LYS A 45 21.907 -5.807 -10.875 1.00 71.52 C ATOM 740 CG LYS A 45 23.345 -5.381 -11.112 1.00 42.21 C ATOM 741 CD LYS A 45 23.430 -4.230 -12.101 1.00 71.20 C ATOM 742 CE LYS A 45 24.815 -4.129 -12.721 1.00 2.23 C ATOM 743 NZ LYS A 45 25.810 -3.568 -11.765 1.00 45.04 N ATOM 0 H LYS A 45 20.108 -7.280 -9.991 1.00 74.23 H new ATOM 0 HA LYS A 45 22.404 -6.033 -8.796 1.00 1.14 H new ATOM 0 HB2 LYS A 45 21.754 -6.796 -11.308 1.00 71.52 H new ATOM 0 HB3 LYS A 45 21.243 -5.122 -11.402 1.00 71.52 H new ATOM 0 HG2 LYS A 45 23.798 -5.083 -10.166 1.00 42.21 H new ATOM 0 HG3 LYS A 45 23.919 -6.228 -11.488 1.00 42.21 H new ATOM 0 HD2 LYS A 45 22.688 -4.369 -12.887 1.00 71.20 H new ATOM 0 HD3 LYS A 45 23.188 -3.295 -11.595 1.00 71.20 H new ATOM 0 HE2 LYS A 45 25.141 -5.117 -13.046 1.00 2.23 H new ATOM 0 HE3 LYS A 45 24.770 -3.500 -13.610 1.00 2.23 H new ATOM 0 HZ1 LYS A 45 26.741 -3.515 -12.225 1.00 45.04 H new ATOM 0 HZ2 LYS A 45 25.513 -2.615 -11.474 1.00 45.04 H new ATOM 0 HZ3 LYS A 45 25.872 -4.182 -10.928 1.00 45.04 H new ATOM 757 N SER A 46 19.611 -4.365 -9.120 1.00 4.43 N ATOM 758 CA SER A 46 18.928 -3.127 -8.762 1.00 35.52 C ATOM 759 C SER A 46 19.042 -2.857 -7.265 1.00 5.33 C ATOM 760 O SER A 46 19.522 -1.802 -6.849 1.00 35.44 O ATOM 761 CB SER A 46 17.454 -3.199 -9.167 1.00 10.20 C ATOM 762 OG SER A 46 17.249 -4.172 -10.177 1.00 2.05 O ATOM 0 H SER A 46 18.998 -5.098 -9.477 1.00 4.43 H new ATOM 0 HA SER A 46 19.407 -2.308 -9.299 1.00 35.52 H new ATOM 0 HB2 SER A 46 16.846 -3.441 -8.296 1.00 10.20 H new ATOM 0 HB3 SER A 46 17.124 -2.224 -9.525 1.00 10.20 H new ATOM 0 HG SER A 46 17.123 -5.051 -9.763 1.00 2.05 H new ATOM 768 N ALA A 47 18.599 -3.817 -6.460 1.00 61.34 N ATOM 769 CA ALA A 47 18.653 -3.685 -5.010 1.00 5.32 C ATOM 770 C ALA A 47 20.087 -3.482 -4.530 1.00 52.35 C ATOM 771 O ALA A 47 20.318 -2.934 -3.453 1.00 44.02 O ATOM 772 CB ALA A 47 18.041 -4.908 -4.345 1.00 33.23 C ATOM 0 H ALA A 47 18.198 -4.696 -6.788 1.00 61.34 H new ATOM 0 HA ALA A 47 18.075 -2.805 -4.729 1.00 5.32 H new ATOM 0 HB1 ALA A 47 18.088 -4.795 -3.262 1.00 33.23 H new ATOM 0 HB2 ALA A 47 17.001 -5.008 -4.654 1.00 33.23 H new ATOM 0 HB3 ALA A 47 18.595 -5.799 -4.642 1.00 33.23 H new ATOM 778 N GLU A 48 21.045 -3.927 -5.337 1.00 74.54 N ATOM 779 CA GLU A 48 22.455 -3.795 -4.993 1.00 64.32 C ATOM 780 C GLU A 48 22.926 -2.355 -5.171 1.00 1.42 C ATOM 781 O GLU A 48 23.786 -1.875 -4.431 1.00 71.04 O ATOM 782 CB GLU A 48 23.304 -4.731 -5.857 1.00 52.21 C ATOM 783 CG GLU A 48 24.728 -4.899 -5.354 1.00 73.51 C ATOM 784 CD GLU A 48 25.722 -4.049 -6.120 1.00 53.43 C ATOM 785 OE1 GLU A 48 25.287 -3.090 -6.793 1.00 31.21 O ATOM 786 OE2 GLU A 48 26.934 -4.341 -6.048 1.00 15.31 O ATOM 0 H GLU A 48 20.870 -4.382 -6.233 1.00 74.54 H new ATOM 0 HA GLU A 48 22.574 -4.071 -3.945 1.00 64.32 H new ATOM 0 HB2 GLU A 48 22.824 -5.709 -5.898 1.00 52.21 H new ATOM 0 HB3 GLU A 48 23.331 -4.346 -6.876 1.00 52.21 H new ATOM 0 HG2 GLU A 48 24.769 -4.636 -4.297 1.00 73.51 H new ATOM 0 HG3 GLU A 48 25.016 -5.947 -5.433 1.00 73.51 H new ATOM 793 N PHE A 49 22.357 -1.670 -6.157 1.00 52.30 N ATOM 794 CA PHE A 49 22.718 -0.284 -6.434 1.00 24.42 C ATOM 795 C PHE A 49 22.619 0.566 -5.171 1.00 53.51 C ATOM 796 O PHE A 49 23.345 1.548 -5.013 1.00 13.33 O ATOM 797 CB PHE A 49 21.814 0.293 -7.524 1.00 55.02 C ATOM 798 CG PHE A 49 22.566 1.003 -8.614 1.00 34.24 C ATOM 799 CD1 PHE A 49 22.980 2.314 -8.446 1.00 42.31 C ATOM 800 CD2 PHE A 49 22.858 0.358 -9.805 1.00 4.53 C ATOM 801 CE1 PHE A 49 23.672 2.970 -9.447 1.00 74.23 C ATOM 802 CE2 PHE A 49 23.550 1.009 -10.809 1.00 71.14 C ATOM 803 CZ PHE A 49 23.958 2.316 -10.630 1.00 11.02 C ATOM 0 H PHE A 49 21.644 -2.052 -6.778 1.00 52.30 H new ATOM 0 HA PHE A 49 23.751 -0.266 -6.782 1.00 24.42 H new ATOM 0 HB2 PHE A 49 21.229 -0.514 -7.964 1.00 55.02 H new ATOM 0 HB3 PHE A 49 21.108 0.988 -7.069 1.00 55.02 H new ATOM 0 HD1 PHE A 49 22.760 2.829 -7.523 1.00 42.31 H new ATOM 0 HD2 PHE A 49 22.542 -0.664 -9.950 1.00 4.53 H new ATOM 0 HE1 PHE A 49 23.989 3.993 -9.304 1.00 74.23 H new ATOM 0 HE2 PHE A 49 23.771 0.496 -11.733 1.00 71.14 H new ATOM 0 HZ PHE A 49 24.500 2.826 -11.413 1.00 11.02 H new ATOM 813 N ILE A 50 21.714 0.183 -4.276 1.00 65.23 N ATOM 814 CA ILE A 50 21.520 0.909 -3.028 1.00 12.41 C ATOM 815 C ILE A 50 22.624 0.588 -2.027 1.00 31.45 C ATOM 816 O ILE A 50 23.466 1.433 -1.724 1.00 34.31 O ATOM 817 CB ILE A 50 20.155 0.582 -2.393 1.00 42.40 C ATOM 818 CG1 ILE A 50 19.035 0.762 -3.419 1.00 74.12 C ATOM 819 CG2 ILE A 50 19.913 1.463 -1.176 1.00 74.32 C ATOM 820 CD1 ILE A 50 18.854 2.194 -3.872 1.00 71.23 C ATOM 0 H ILE A 50 21.104 -0.626 -4.393 1.00 65.23 H new ATOM 0 HA ILE A 50 21.553 1.971 -3.273 1.00 12.41 H new ATOM 0 HB ILE A 50 20.161 -0.459 -2.069 1.00 42.40 H new ATOM 0 HG12 ILE A 50 19.246 0.139 -4.288 1.00 74.12 H new ATOM 0 HG13 ILE A 50 18.099 0.404 -2.990 1.00 74.12 H new ATOM 0 HG21 ILE A 50 18.945 1.221 -0.738 1.00 74.32 H new ATOM 0 HG22 ILE A 50 20.698 1.290 -0.440 1.00 74.32 H new ATOM 0 HG23 ILE A 50 19.923 2.510 -1.477 1.00 74.32 H new ATOM 0 HD11 ILE A 50 18.043 2.246 -4.599 1.00 71.23 H new ATOM 0 HD12 ILE A 50 18.612 2.820 -3.013 1.00 71.23 H new ATOM 0 HD13 ILE A 50 19.776 2.550 -4.331 1.00 71.23 H new ATOM 832 N GLN A 51 22.614 -0.640 -1.518 1.00 23.32 N ATOM 833 CA GLN A 51 23.616 -1.074 -0.551 1.00 42.12 C ATOM 834 C GLN A 51 24.139 -2.464 -0.896 1.00 64.32 C ATOM 835 O GLN A 51 23.383 -3.435 -0.916 1.00 64.52 O ATOM 836 CB GLN A 51 23.027 -1.074 0.861 1.00 43.55 C ATOM 837 CG GLN A 51 24.013 -1.513 1.931 1.00 1.31 C ATOM 838 CD GLN A 51 25.110 -0.494 2.168 1.00 42.34 C ATOM 839 OE1 GLN A 51 24.877 0.714 2.100 1.00 22.42 O ATOM 840 NE2 GLN A 51 26.316 -0.975 2.447 1.00 73.30 N ATOM 0 H GLN A 51 21.924 -1.351 -1.759 1.00 23.32 H new ATOM 0 HA GLN A 51 24.449 -0.372 -0.589 1.00 42.12 H new ATOM 0 HB2 GLN A 51 22.670 -0.071 1.097 1.00 43.55 H new ATOM 0 HB3 GLN A 51 22.160 -1.735 0.884 1.00 43.55 H new ATOM 0 HG2 GLN A 51 23.477 -1.687 2.864 1.00 1.31 H new ATOM 0 HG3 GLN A 51 24.461 -2.462 1.639 1.00 1.31 H new ATOM 0 HE21 GLN A 51 26.465 -1.983 2.493 1.00 73.30 H new ATOM 0 HE22 GLN A 51 27.093 -0.336 2.615 1.00 73.30 H new ATOM 849 N SER A 52 25.438 -2.552 -1.168 1.00 34.23 N ATOM 850 CA SER A 52 26.061 -3.823 -1.516 1.00 64.32 C ATOM 851 C SER A 52 25.686 -4.907 -0.510 1.00 13.21 C ATOM 852 O SER A 52 25.423 -6.051 -0.881 1.00 34.05 O ATOM 853 CB SER A 52 27.583 -3.670 -1.574 1.00 35.31 C ATOM 854 OG SER A 52 28.191 -4.824 -2.127 1.00 74.53 O ATOM 0 H SER A 52 26.078 -1.758 -1.154 1.00 34.23 H new ATOM 0 HA SER A 52 25.694 -4.121 -2.498 1.00 64.32 H new ATOM 0 HB2 SER A 52 27.841 -2.797 -2.173 1.00 35.31 H new ATOM 0 HB3 SER A 52 27.972 -3.495 -0.571 1.00 35.31 H new ATOM 0 HG SER A 52 29.163 -4.700 -2.154 1.00 74.53 H new ATOM 860 N LYS A 53 25.663 -4.538 0.766 1.00 13.42 N ATOM 861 CA LYS A 53 25.318 -5.475 1.828 1.00 24.34 C ATOM 862 C LYS A 53 24.089 -5.000 2.596 1.00 31.40 C ATOM 863 O LYS A 53 24.027 -5.114 3.819 1.00 12.14 O ATOM 864 CB LYS A 53 26.498 -5.646 2.789 1.00 51.34 C ATOM 865 CG LYS A 53 26.601 -7.039 3.383 1.00 25.44 C ATOM 866 CD LYS A 53 27.656 -7.872 2.674 1.00 44.41 C ATOM 867 CE LYS A 53 28.792 -8.249 3.612 1.00 24.12 C ATOM 868 NZ LYS A 53 29.760 -7.131 3.790 1.00 13.01 N ATOM 0 H LYS A 53 25.880 -3.595 1.090 1.00 13.42 H new ATOM 0 HA LYS A 53 25.088 -6.436 1.369 1.00 24.34 H new ATOM 0 HB2 LYS A 53 27.423 -5.416 2.260 1.00 51.34 H new ATOM 0 HB3 LYS A 53 26.405 -4.921 3.598 1.00 51.34 H new ATOM 0 HG2 LYS A 53 26.845 -6.966 4.443 1.00 25.44 H new ATOM 0 HG3 LYS A 53 25.634 -7.538 3.312 1.00 25.44 H new ATOM 0 HD2 LYS A 53 27.198 -8.776 2.273 1.00 44.41 H new ATOM 0 HD3 LYS A 53 28.053 -7.313 1.826 1.00 44.41 H new ATOM 0 HE2 LYS A 53 28.383 -8.533 4.582 1.00 24.12 H new ATOM 0 HE3 LYS A 53 29.313 -9.121 3.218 1.00 24.12 H new ATOM 0 HZ1 LYS A 53 30.519 -7.428 4.436 1.00 13.01 H new ATOM 0 HZ2 LYS A 53 30.170 -6.877 2.869 1.00 13.01 H new ATOM 0 HZ3 LYS A 53 29.268 -6.306 4.190 1.00 13.01 H new ATOM 882 N GLY A 54 23.111 -4.469 1.868 1.00 20.04 N ATOM 883 CA GLY A 54 21.896 -3.986 2.498 1.00 31.42 C ATOM 884 C GLY A 54 20.645 -4.509 1.821 1.00 73.40 C ATOM 885 O GLY A 54 19.531 -4.281 2.295 1.00 25.03 O ATOM 0 H GLY A 54 23.139 -4.365 0.854 1.00 20.04 H new ATOM 0 HA2 GLY A 54 21.890 -4.285 3.546 1.00 31.42 H new ATOM 0 HA3 GLY A 54 21.888 -2.896 2.477 1.00 31.42 H new ATOM 889 N HIS A 55 20.826 -5.212 0.707 1.00 21.23 N ATOM 890 CA HIS A 55 19.702 -5.768 -0.037 1.00 70.34 C ATOM 891 C HIS A 55 19.694 -7.292 0.048 1.00 10.41 C ATOM 892 O HIS A 55 20.633 -7.952 -0.394 1.00 44.22 O ATOM 893 CB HIS A 55 19.765 -5.328 -1.500 1.00 75.44 C ATOM 894 CG HIS A 55 20.892 -5.951 -2.265 1.00 51.53 C ATOM 895 ND1 HIS A 55 22.219 -5.690 -1.995 1.00 52.23 N ATOM 896 CD2 HIS A 55 20.885 -6.828 -3.296 1.00 55.31 C ATOM 897 CE1 HIS A 55 22.979 -6.378 -2.828 1.00 73.31 C ATOM 898 NE2 HIS A 55 22.194 -7.077 -3.628 1.00 35.54 N ATOM 0 H HIS A 55 21.740 -5.410 0.300 1.00 21.23 H new ATOM 0 HA HIS A 55 18.781 -5.392 0.409 1.00 70.34 H new ATOM 0 HB2 HIS A 55 18.823 -5.580 -1.987 1.00 75.44 H new ATOM 0 HB3 HIS A 55 19.865 -4.243 -1.541 1.00 75.44 H new ATOM 0 HD1 HIS A 55 22.560 -5.064 -1.266 1.00 52.23 H new ATOM 0 HD2 HIS A 55 20.012 -7.253 -3.769 1.00 55.31 H new ATOM 0 HE1 HIS A 55 24.059 -6.370 -2.851 1.00 73.31 H new ATOM 906 N GLU A 56 18.628 -7.842 0.621 1.00 53.15 N ATOM 907 CA GLU A 56 18.500 -9.287 0.765 1.00 74.21 C ATOM 908 C GLU A 56 17.181 -9.778 0.174 1.00 64.44 C ATOM 909 O GLU A 56 16.103 -9.365 0.603 1.00 61.43 O ATOM 910 CB GLU A 56 18.589 -9.685 2.240 1.00 40.42 C ATOM 911 CG GLU A 56 19.484 -10.886 2.493 1.00 2.03 C ATOM 912 CD GLU A 56 18.700 -12.173 2.662 1.00 12.31 C ATOM 913 OE1 GLU A 56 17.701 -12.358 1.935 1.00 10.54 O ATOM 914 OE2 GLU A 56 19.084 -12.994 3.520 1.00 31.24 O ATOM 0 H GLU A 56 17.842 -7.309 0.993 1.00 53.15 H new ATOM 0 HA GLU A 56 19.320 -9.754 0.219 1.00 74.21 H new ATOM 0 HB2 GLU A 56 18.962 -8.837 2.815 1.00 40.42 H new ATOM 0 HB3 GLU A 56 17.587 -9.905 2.609 1.00 40.42 H new ATOM 0 HG2 GLU A 56 20.181 -10.996 1.662 1.00 2.03 H new ATOM 0 HG3 GLU A 56 20.080 -10.708 3.388 1.00 2.03 H new ATOM 921 N LEU A 57 17.276 -10.662 -0.814 1.00 53.31 N ATOM 922 CA LEU A 57 16.091 -11.210 -1.466 1.00 44.21 C ATOM 923 C LEU A 57 15.543 -12.401 -0.687 1.00 10.12 C ATOM 924 O LEU A 57 16.076 -13.508 -0.768 1.00 25.25 O ATOM 925 CB LEU A 57 16.423 -11.632 -2.898 1.00 51.05 C ATOM 926 CG LEU A 57 16.785 -10.503 -3.864 1.00 53.02 C ATOM 927 CD1 LEU A 57 15.785 -9.363 -3.751 1.00 11.30 C ATOM 928 CD2 LEU A 57 18.197 -10.005 -3.597 1.00 4.43 C ATOM 0 H LEU A 57 18.160 -11.014 -1.181 1.00 53.31 H new ATOM 0 HA LEU A 57 15.327 -10.433 -1.490 1.00 44.21 H new ATOM 0 HB2 LEU A 57 17.255 -12.335 -2.864 1.00 51.05 H new ATOM 0 HB3 LEU A 57 15.567 -12.170 -3.305 1.00 51.05 H new ATOM 0 HG LEU A 57 16.746 -10.894 -4.881 1.00 53.02 H new ATOM 0 HD11 LEU A 57 16.059 -8.569 -4.446 1.00 11.30 H new ATOM 0 HD12 LEU A 57 14.787 -9.729 -3.993 1.00 11.30 H new ATOM 0 HD13 LEU A 57 15.791 -8.973 -2.733 1.00 11.30 H new ATOM 0 HD21 LEU A 57 18.437 -9.202 -4.294 1.00 4.43 H new ATOM 0 HD22 LEU A 57 18.264 -9.631 -2.575 1.00 4.43 H new ATOM 0 HD23 LEU A 57 18.903 -10.825 -3.730 1.00 4.43 H new ATOM 940 N LEU A 58 14.474 -12.167 0.066 1.00 54.03 N ATOM 941 CA LEU A 58 13.850 -13.221 0.858 1.00 24.24 C ATOM 942 C LEU A 58 13.546 -14.443 -0.003 1.00 42.41 C ATOM 943 O LEU A 58 13.813 -15.576 0.393 1.00 23.14 O ATOM 944 CB LEU A 58 12.564 -12.707 1.506 1.00 13.51 C ATOM 945 CG LEU A 58 12.553 -12.661 3.034 1.00 21.54 C ATOM 946 CD1 LEU A 58 12.639 -11.225 3.527 1.00 72.13 C ATOM 947 CD2 LEU A 58 11.305 -13.340 3.579 1.00 31.44 C ATOM 0 H LEU A 58 14.021 -11.256 0.145 1.00 54.03 H new ATOM 0 HA LEU A 58 14.550 -13.516 1.640 1.00 24.24 H new ATOM 0 HB2 LEU A 58 12.369 -11.702 1.131 1.00 13.51 H new ATOM 0 HB3 LEU A 58 11.738 -13.337 1.176 1.00 13.51 H new ATOM 0 HG LEU A 58 13.426 -13.201 3.400 1.00 21.54 H new ATOM 0 HD11 LEU A 58 12.630 -11.213 4.617 1.00 72.13 H new ATOM 0 HD12 LEU A 58 13.562 -10.771 3.167 1.00 72.13 H new ATOM 0 HD13 LEU A 58 11.786 -10.660 3.151 1.00 72.13 H new ATOM 0 HD21 LEU A 58 11.314 -13.298 4.668 1.00 31.44 H new ATOM 0 HD22 LEU A 58 10.419 -12.828 3.203 1.00 31.44 H new ATOM 0 HD23 LEU A 58 11.287 -14.381 3.256 1.00 31.44 H new ATOM 1088 N ASP A 67 6.140 -14.054 -15.505 1.00 3.43 N ATOM 1089 CA ASP A 67 6.243 -12.875 -14.652 1.00 41.12 C ATOM 1090 C ASP A 67 6.174 -13.263 -13.178 1.00 44.54 C ATOM 1091 O ASP A 67 5.117 -13.642 -12.675 1.00 60.12 O ATOM 1092 CB ASP A 67 5.129 -11.881 -14.983 1.00 51.14 C ATOM 1093 CG ASP A 67 3.773 -12.346 -14.490 1.00 52.14 C ATOM 1094 OD1 ASP A 67 3.165 -13.213 -15.153 1.00 43.13 O ATOM 1095 OD2 ASP A 67 3.319 -11.844 -13.441 1.00 42.41 O ATOM 0 HA ASP A 67 7.208 -12.404 -14.840 1.00 41.12 H new ATOM 0 HB2 ASP A 67 5.363 -10.915 -14.536 1.00 51.14 H new ATOM 0 HB3 ASP A 67 5.088 -11.731 -16.062 1.00 51.14 H new ATOM 1100 N TRP A 68 7.308 -13.165 -12.493 1.00 72.32 N ATOM 1101 CA TRP A 68 7.376 -13.507 -11.077 1.00 3.01 C ATOM 1102 C TRP A 68 7.556 -12.257 -10.223 1.00 45.43 C ATOM 1103 O TRP A 68 7.581 -11.138 -10.739 1.00 20.42 O ATOM 1104 CB TRP A 68 8.525 -14.484 -10.822 1.00 4.32 C ATOM 1105 CG TRP A 68 8.183 -15.560 -9.836 1.00 53.34 C ATOM 1106 CD1 TRP A 68 8.669 -15.694 -8.567 1.00 55.51 C ATOM 1107 CD2 TRP A 68 7.281 -16.653 -10.041 1.00 25.35 C ATOM 1108 NE1 TRP A 68 8.124 -16.805 -7.970 1.00 14.42 N ATOM 1109 CE2 TRP A 68 7.269 -17.410 -8.853 1.00 31.15 C ATOM 1110 CE3 TRP A 68 6.482 -17.066 -11.110 1.00 44.32 C ATOM 1111 CZ2 TRP A 68 6.489 -18.555 -8.708 1.00 5.33 C ATOM 1112 CZ3 TRP A 68 5.710 -18.202 -10.965 1.00 33.10 C ATOM 1113 CH2 TRP A 68 5.717 -18.936 -9.771 1.00 51.50 C ATOM 0 H TRP A 68 8.192 -12.852 -12.895 1.00 72.32 H new ATOM 0 HA TRP A 68 6.436 -13.982 -10.798 1.00 3.01 H new ATOM 0 HB2 TRP A 68 8.816 -14.945 -11.766 1.00 4.32 H new ATOM 0 HB3 TRP A 68 9.390 -13.929 -10.458 1.00 4.32 H new ATOM 0 HD1 TRP A 68 9.378 -15.025 -8.101 1.00 55.51 H new ATOM 0 HE1 TRP A 68 8.324 -17.127 -7.023 1.00 14.42 H new ATOM 0 HE3 TRP A 68 6.468 -16.507 -12.034 1.00 44.32 H new ATOM 0 HZ2 TRP A 68 6.494 -19.122 -7.789 1.00 5.33 H new ATOM 0 HZ3 TRP A 68 5.090 -18.530 -11.786 1.00 33.10 H new ATOM 0 HH2 TRP A 68 5.101 -19.819 -9.689 1.00 51.50 H new ATOM 1124 N THR A 69 7.683 -12.452 -8.914 1.00 53.33 N ATOM 1125 CA THR A 69 7.860 -11.340 -7.989 1.00 52.53 C ATOM 1126 C THR A 69 9.068 -11.562 -7.086 1.00 73.35 C ATOM 1127 O THR A 69 9.290 -12.669 -6.594 1.00 3.43 O ATOM 1128 CB THR A 69 6.610 -11.133 -7.113 1.00 53.35 C ATOM 1129 OG1 THR A 69 6.875 -11.560 -5.773 1.00 34.12 O ATOM 1130 CG2 THR A 69 5.424 -11.904 -7.672 1.00 72.52 C ATOM 0 H THR A 69 7.666 -13.370 -8.471 1.00 53.33 H new ATOM 0 HA THR A 69 8.022 -10.448 -8.595 1.00 52.53 H new ATOM 0 HB THR A 69 6.365 -10.071 -7.113 1.00 53.35 H new ATOM 0 HG1 THR A 69 6.076 -11.424 -5.222 1.00 34.12 H new ATOM 0 HG21 THR A 69 4.553 -11.743 -7.037 1.00 72.52 H new ATOM 0 HG22 THR A 69 5.207 -11.555 -8.682 1.00 72.52 H new ATOM 0 HG23 THR A 69 5.661 -12.968 -7.699 1.00 72.52 H new ATOM 1138 N ILE A 70 9.844 -10.505 -6.873 1.00 71.21 N ATOM 1139 CA ILE A 70 11.028 -10.586 -6.027 1.00 63.14 C ATOM 1140 C ILE A 70 10.905 -9.664 -4.819 1.00 42.12 C ATOM 1141 O ILE A 70 10.779 -8.448 -4.963 1.00 50.22 O ATOM 1142 CB ILE A 70 12.304 -10.222 -6.809 1.00 43.12 C ATOM 1143 CG1 ILE A 70 13.527 -10.285 -5.891 1.00 73.53 C ATOM 1144 CG2 ILE A 70 12.170 -8.838 -7.427 1.00 1.13 C ATOM 1145 CD1 ILE A 70 13.672 -11.607 -5.169 1.00 42.24 C ATOM 0 H ILE A 70 9.674 -9.583 -7.274 1.00 71.21 H new ATOM 0 HA ILE A 70 11.102 -11.619 -5.686 1.00 63.14 H new ATOM 0 HB ILE A 70 12.439 -10.946 -7.613 1.00 43.12 H new ATOM 0 HG12 ILE A 70 14.425 -10.102 -6.482 1.00 73.53 H new ATOM 0 HG13 ILE A 70 13.461 -9.483 -5.155 1.00 73.53 H new ATOM 0 HG21 ILE A 70 13.080 -8.595 -7.976 1.00 1.13 H new ATOM 0 HG22 ILE A 70 11.320 -8.825 -8.109 1.00 1.13 H new ATOM 0 HG23 ILE A 70 12.014 -8.101 -6.639 1.00 1.13 H new ATOM 0 HD11 ILE A 70 14.559 -11.581 -4.537 1.00 42.24 H new ATOM 0 HD12 ILE A 70 12.791 -11.783 -4.551 1.00 42.24 H new ATOM 0 HD13 ILE A 70 13.770 -12.411 -5.898 1.00 42.24 H new ATOM 1157 N VAL A 71 10.945 -10.251 -3.627 1.00 53.31 N ATOM 1158 CA VAL A 71 10.841 -9.482 -2.393 1.00 14.13 C ATOM 1159 C VAL A 71 12.216 -9.054 -1.894 1.00 63.11 C ATOM 1160 O VAL A 71 13.132 -9.870 -1.789 1.00 60.12 O ATOM 1161 CB VAL A 71 10.134 -10.288 -1.287 1.00 71.40 C ATOM 1162 CG1 VAL A 71 9.670 -9.368 -0.168 1.00 25.30 C ATOM 1163 CG2 VAL A 71 8.964 -11.071 -1.864 1.00 52.20 C ATOM 0 H VAL A 71 11.049 -11.256 -3.490 1.00 53.31 H new ATOM 0 HA VAL A 71 10.249 -8.596 -2.622 1.00 14.13 H new ATOM 0 HB VAL A 71 10.846 -10.999 -0.868 1.00 71.40 H new ATOM 0 HG11 VAL A 71 9.173 -9.956 0.604 1.00 25.30 H new ATOM 0 HG12 VAL A 71 10.531 -8.857 0.263 1.00 25.30 H new ATOM 0 HG13 VAL A 71 8.973 -8.631 -0.568 1.00 25.30 H new ATOM 0 HG21 VAL A 71 8.476 -11.635 -1.069 1.00 52.20 H new ATOM 0 HG22 VAL A 71 8.249 -10.380 -2.311 1.00 52.20 H new ATOM 0 HG23 VAL A 71 9.328 -11.760 -2.626 1.00 52.20 H new ATOM 1173 N VAL A 72 12.355 -7.768 -1.587 1.00 71.11 N ATOM 1174 CA VAL A 72 13.619 -7.231 -1.097 1.00 72.05 C ATOM 1175 C VAL A 72 13.445 -6.576 0.268 1.00 3.12 C ATOM 1176 O VAL A 72 12.600 -5.698 0.444 1.00 21.30 O ATOM 1177 CB VAL A 72 14.208 -6.200 -2.078 1.00 50.22 C ATOM 1178 CG1 VAL A 72 15.668 -5.926 -1.752 1.00 63.33 C ATOM 1179 CG2 VAL A 72 14.054 -6.681 -3.513 1.00 25.41 C ATOM 0 H VAL A 72 11.608 -7.079 -1.669 1.00 71.11 H new ATOM 0 HA VAL A 72 14.307 -8.071 -1.008 1.00 72.05 H new ATOM 0 HB VAL A 72 13.656 -5.266 -1.971 1.00 50.22 H new ATOM 0 HG11 VAL A 72 16.067 -5.195 -2.456 1.00 63.33 H new ATOM 0 HG12 VAL A 72 15.747 -5.534 -0.738 1.00 63.33 H new ATOM 0 HG13 VAL A 72 16.238 -6.852 -1.828 1.00 63.33 H new ATOM 0 HG21 VAL A 72 14.476 -5.940 -4.192 1.00 25.41 H new ATOM 0 HG22 VAL A 72 14.579 -7.628 -3.638 1.00 25.41 H new ATOM 0 HG23 VAL A 72 12.997 -6.820 -3.739 1.00 25.41 H new ATOM 1189 N ARG A 73 14.252 -7.008 1.232 1.00 35.03 N ATOM 1190 CA ARG A 73 14.187 -6.464 2.583 1.00 12.14 C ATOM 1191 C ARG A 73 15.356 -5.519 2.846 1.00 62.43 C ATOM 1192 O ARG A 73 16.505 -5.950 2.951 1.00 51.11 O ATOM 1193 CB ARG A 73 14.191 -7.596 3.613 1.00 52.34 C ATOM 1194 CG ARG A 73 15.308 -8.605 3.403 1.00 33.25 C ATOM 1195 CD ARG A 73 16.134 -8.792 4.667 1.00 52.55 C ATOM 1196 NE ARG A 73 15.306 -9.154 5.814 1.00 72.04 N ATOM 1197 CZ ARG A 73 15.783 -9.314 7.043 1.00 72.31 C ATOM 1198 NH1 ARG A 73 17.076 -9.145 7.283 1.00 14.33 N ATOM 1199 NH2 ARG A 73 14.966 -9.645 8.035 1.00 11.41 N ATOM 0 H ARG A 73 14.958 -7.733 1.102 1.00 35.03 H new ATOM 0 HA ARG A 73 13.259 -5.901 2.676 1.00 12.14 H new ATOM 0 HB2 ARG A 73 14.282 -7.168 4.611 1.00 52.34 H new ATOM 0 HB3 ARG A 73 13.233 -8.114 3.575 1.00 52.34 H new ATOM 0 HG2 ARG A 73 14.883 -9.562 3.100 1.00 33.25 H new ATOM 0 HG3 ARG A 73 15.954 -8.271 2.591 1.00 33.25 H new ATOM 0 HD2 ARG A 73 16.881 -9.568 4.500 1.00 52.55 H new ATOM 0 HD3 ARG A 73 16.674 -7.871 4.886 1.00 52.55 H new ATOM 0 HE ARG A 73 14.307 -9.291 5.663 1.00 72.04 H new ATOM 0 HH11 ARG A 73 17.707 -8.891 6.523 1.00 14.33 H new ATOM 0 HH12 ARG A 73 17.440 -9.268 8.228 1.00 14.33 H new ATOM 0 HH21 ARG A 73 13.971 -9.777 7.854 1.00 11.41 H new ATOM 0 HH22 ARG A 73 15.333 -9.768 8.979 1.00 11.41 H new ATOM 1213 N LYS A 74 15.056 -4.229 2.950 1.00 70.23 N ATOM 1214 CA LYS A 74 16.081 -3.223 3.200 1.00 14.43 C ATOM 1215 C LYS A 74 16.825 -3.515 4.499 1.00 34.23 C ATOM 1216 O LYS A 74 16.300 -4.184 5.390 1.00 2.44 O ATOM 1217 CB LYS A 74 15.451 -1.829 3.264 1.00 70.15 C ATOM 1218 CG LYS A 74 15.446 -1.103 1.930 1.00 45.43 C ATOM 1219 CD LYS A 74 15.791 0.368 2.095 1.00 51.15 C ATOM 1220 CE LYS A 74 17.263 0.630 1.815 1.00 11.52 C ATOM 1221 NZ LYS A 74 17.498 2.024 1.344 1.00 23.55 N ATOM 0 H LYS A 74 14.111 -3.855 2.865 1.00 70.23 H new ATOM 0 HA LYS A 74 16.795 -3.256 2.377 1.00 14.43 H new ATOM 0 HB2 LYS A 74 14.426 -1.919 3.623 1.00 70.15 H new ATOM 0 HB3 LYS A 74 15.993 -1.227 3.994 1.00 70.15 H new ATOM 0 HG2 LYS A 74 16.163 -1.573 1.256 1.00 45.43 H new ATOM 0 HG3 LYS A 74 14.464 -1.198 1.467 1.00 45.43 H new ATOM 0 HD2 LYS A 74 15.179 0.964 1.418 1.00 51.15 H new ATOM 0 HD3 LYS A 74 15.550 0.688 3.109 1.00 51.15 H new ATOM 0 HE2 LYS A 74 17.843 0.450 2.720 1.00 11.52 H new ATOM 0 HE3 LYS A 74 17.620 -0.073 1.062 1.00 11.52 H new ATOM 0 HZ1 LYS A 74 18.513 2.163 1.164 1.00 23.55 H new ATOM 0 HZ2 LYS A 74 16.965 2.188 0.466 1.00 23.55 H new ATOM 0 HZ3 LYS A 74 17.180 2.695 2.073 1.00 23.55 H new ATOM 1235 N LYS A 75 18.049 -3.010 4.601 1.00 1.52 N ATOM 1236 CA LYS A 75 18.865 -3.214 5.792 1.00 1.22 C ATOM 1237 C LYS A 75 20.213 -2.514 5.655 1.00 43.33 C ATOM 1238 O LYS A 75 20.492 -1.878 4.639 1.00 42.13 O ATOM 1239 CB LYS A 75 19.078 -4.709 6.040 1.00 52.14 C ATOM 1240 CG LYS A 75 18.511 -5.193 7.363 1.00 25.02 C ATOM 1241 CD LYS A 75 19.614 -5.615 8.320 1.00 14.45 C ATOM 1242 CE LYS A 75 20.297 -6.892 7.856 1.00 35.03 C ATOM 1243 NZ LYS A 75 21.764 -6.860 8.110 1.00 35.42 N ATOM 0 H LYS A 75 18.499 -2.456 3.872 1.00 1.52 H new ATOM 0 HA LYS A 75 18.336 -2.783 6.642 1.00 1.22 H new ATOM 0 HB2 LYS A 75 18.617 -5.273 5.229 1.00 52.14 H new ATOM 0 HB3 LYS A 75 20.146 -4.925 6.011 1.00 52.14 H new ATOM 0 HG2 LYS A 75 17.917 -4.400 7.817 1.00 25.02 H new ATOM 0 HG3 LYS A 75 17.839 -6.033 7.187 1.00 25.02 H new ATOM 0 HD2 LYS A 75 20.351 -4.816 8.402 1.00 14.45 H new ATOM 0 HD3 LYS A 75 19.196 -5.766 9.315 1.00 14.45 H new ATOM 0 HE2 LYS A 75 19.858 -7.746 8.371 1.00 35.03 H new ATOM 0 HE3 LYS A 75 20.116 -7.034 6.791 1.00 35.03 H new ATOM 0 HZ1 LYS A 75 22.193 -7.748 7.780 1.00 35.42 H new ATOM 0 HZ2 LYS A 75 22.188 -6.060 7.598 1.00 35.42 H new ATOM 0 HZ3 LYS A 75 21.937 -6.750 9.129 1.00 35.42 H new