USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 138:sc= -0.0641 (180deg=-0.491) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0235 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= -0.0363 (180deg=-0.259) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -138:sc= 0.539 (180deg=-0.209) USER MOD Single : A 30 SER OG : rot 160:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.1!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0334) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.0286 (180deg=-0.272) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0.114 (180deg=0.0952) USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= 1.3 (180deg=1.07) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.006 -5.692 16.364 1.00 0.00 N ATOM 2 CA GLY A 1 -4.631 -5.915 15.048 1.00 0.00 C ATOM 3 C GLY A 1 -4.293 -4.825 14.061 1.00 0.00 C ATOM 4 O GLY A 1 -5.116 -3.949 13.786 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.267 -6.466 17.008 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.972 -5.664 16.257 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.338 -4.788 16.757 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.303 -6.876 14.651 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.713 -5.971 15.167 1.00 0.00 H new ATOM 10 N SER A 2 -3.093 -4.879 13.514 1.00 0.00 N ATOM 11 CA SER A 2 -2.648 -3.888 12.554 1.00 0.00 C ATOM 12 C SER A 2 -2.881 -4.381 11.130 1.00 0.00 C ATOM 13 O SER A 2 -2.241 -3.901 10.182 1.00 0.00 O ATOM 14 CB SER A 2 -1.160 -3.583 12.763 1.00 0.00 C ATOM 15 OG SER A 2 -0.913 -3.116 14.081 1.00 0.00 O ATOM 0 H SER A 2 -2.406 -5.604 13.720 1.00 0.00 H new ATOM 0 HA SER A 2 -3.225 -2.976 12.707 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.572 -4.482 12.576 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.835 -2.833 12.042 1.00 0.00 H new ATOM 0 HG SER A 2 0.043 -2.931 14.189 1.00 0.00 H new ATOM 21 N VAL A 3 -3.829 -5.320 10.978 1.00 0.00 N ATOM 22 CA VAL A 3 -4.122 -5.936 9.684 1.00 0.00 C ATOM 23 C VAL A 3 -2.835 -6.582 9.150 1.00 0.00 C ATOM 24 O VAL A 3 -2.591 -6.652 7.941 1.00 0.00 O ATOM 25 CB VAL A 3 -4.671 -4.891 8.659 1.00 0.00 C ATOM 26 CG1 VAL A 3 -5.276 -5.583 7.442 1.00 0.00 C ATOM 27 CG2 VAL A 3 -5.704 -3.981 9.318 1.00 0.00 C ATOM 0 H VAL A 3 -4.406 -5.667 11.744 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.897 -6.691 9.818 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.833 -4.281 8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.650 -4.833 6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.513 -6.187 6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.098 -6.225 7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.073 -3.261 8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.535 -4.582 9.688 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.242 -3.449 10.150 1.00 0.00 H new ATOM 37 N GLU A 4 -2.028 -7.091 10.073 1.00 0.00 N ATOM 38 CA GLU A 4 -0.745 -7.666 9.742 1.00 0.00 C ATOM 39 C GLU A 4 -0.910 -9.112 9.341 1.00 0.00 C ATOM 40 O GLU A 4 -0.046 -9.693 8.714 1.00 0.00 O ATOM 41 CB GLU A 4 0.226 -7.544 10.926 1.00 0.00 C ATOM 42 CG GLU A 4 -0.162 -8.358 12.165 1.00 0.00 C ATOM 43 CD GLU A 4 -1.435 -7.877 12.831 1.00 0.00 C ATOM 44 OE1 GLU A 4 -1.352 -6.998 13.713 1.00 0.00 O ATOM 45 OE2 GLU A 4 -2.521 -8.374 12.474 1.00 0.00 O ATOM 0 H GLU A 4 -2.251 -7.113 11.068 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.326 -7.115 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.217 -7.858 10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.302 -6.494 11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.283 -9.403 11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.654 -8.317 12.887 1.00 0.00 H new ATOM 52 N LYS A 5 -2.030 -9.692 9.720 1.00 0.00 N ATOM 53 CA LYS A 5 -2.338 -11.059 9.352 1.00 0.00 C ATOM 54 C LYS A 5 -2.489 -11.191 7.840 1.00 0.00 C ATOM 55 O LYS A 5 -2.300 -12.269 7.280 1.00 0.00 O ATOM 56 CB LYS A 5 -3.593 -11.518 10.079 1.00 0.00 C ATOM 57 CG LYS A 5 -3.398 -11.576 11.580 1.00 0.00 C ATOM 58 CD LYS A 5 -4.707 -11.736 12.317 1.00 0.00 C ATOM 59 CE LYS A 5 -4.472 -11.825 13.815 1.00 0.00 C ATOM 60 NZ LYS A 5 -3.672 -10.676 14.323 1.00 0.00 N ATOM 0 H LYS A 5 -2.746 -9.236 10.286 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.512 -11.704 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.414 -10.839 9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.882 -12.504 9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.739 -12.408 11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.902 -10.665 11.916 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.360 -10.892 12.096 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.218 -12.634 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.431 -11.855 14.331 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.956 -12.757 14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.074 -10.344 15.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.688 -10.978 14.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.694 -9.903 13.627 1.00 0.00 H new ATOM 74 N LEU A 6 -2.811 -10.083 7.182 1.00 0.00 N ATOM 75 CA LEU A 6 -2.920 -10.062 5.727 1.00 0.00 C ATOM 76 C LEU A 6 -1.530 -10.144 5.096 1.00 0.00 C ATOM 77 O LEU A 6 -1.326 -10.826 4.097 1.00 0.00 O ATOM 78 CB LEU A 6 -3.635 -8.782 5.250 1.00 0.00 C ATOM 79 CG LEU A 6 -3.823 -8.652 3.738 1.00 0.00 C ATOM 80 CD1 LEU A 6 -4.786 -9.708 3.223 1.00 0.00 C ATOM 81 CD2 LEU A 6 -4.310 -7.260 3.381 1.00 0.00 C ATOM 0 H LEU A 6 -3.001 -9.188 7.632 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.509 -10.925 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.615 -8.737 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.070 -7.919 5.603 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.858 -8.811 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.905 -9.597 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.391 -10.700 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.754 -9.586 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.438 -7.185 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.264 -7.071 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.578 -6.523 3.711 1.00 0.00 H new ATOM 93 N THR A 7 -0.583 -9.436 5.687 1.00 0.00 N ATOM 94 CA THR A 7 0.763 -9.423 5.233 1.00 0.00 C ATOM 95 C THR A 7 1.671 -9.213 6.453 1.00 0.00 C ATOM 96 O THR A 7 1.810 -8.086 6.931 1.00 0.00 O ATOM 97 CB THR A 7 0.982 -8.258 4.237 1.00 0.00 C ATOM 98 OG1 THR A 7 0.018 -8.348 3.179 1.00 0.00 O ATOM 99 CG2 THR A 7 2.382 -8.311 3.642 1.00 0.00 C ATOM 0 H THR A 7 -0.748 -8.851 6.506 1.00 0.00 H new ATOM 0 HA THR A 7 0.992 -10.363 4.730 1.00 0.00 H new ATOM 0 HB THR A 7 0.864 -7.317 4.774 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.154 -7.610 2.549 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.513 -7.483 2.945 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.120 -8.233 4.441 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.517 -9.255 3.113 1.00 0.00 H new ATOM 107 N ALA A 8 2.272 -10.280 6.967 1.00 0.00 N ATOM 108 CA ALA A 8 3.202 -10.158 8.088 1.00 0.00 C ATOM 109 C ALA A 8 4.462 -9.472 7.629 1.00 0.00 C ATOM 110 O ALA A 8 5.139 -8.796 8.408 1.00 0.00 O ATOM 111 CB ALA A 8 3.523 -11.523 8.700 1.00 0.00 C ATOM 0 H ALA A 8 2.135 -11.233 6.630 1.00 0.00 H new ATOM 0 HA ALA A 8 2.728 -9.557 8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.217 -11.395 9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.604 -11.984 9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.977 -12.163 7.943 1.00 0.00 H new ATOM 117 N ASP A 9 4.745 -9.622 6.338 1.00 0.00 N ATOM 118 CA ASP A 9 5.916 -9.013 5.716 1.00 0.00 C ATOM 119 C ASP A 9 5.911 -7.514 5.937 1.00 0.00 C ATOM 120 O ASP A 9 6.964 -6.891 6.033 1.00 0.00 O ATOM 121 CB ASP A 9 5.971 -9.318 4.213 1.00 0.00 C ATOM 122 CG ASP A 9 6.282 -10.770 3.920 1.00 0.00 C ATOM 123 OD1 ASP A 9 5.339 -11.590 3.869 1.00 0.00 O ATOM 124 OD2 ASP A 9 7.472 -11.099 3.733 1.00 0.00 O ATOM 0 H ASP A 9 4.171 -10.168 5.695 1.00 0.00 H new ATOM 0 HA ASP A 9 6.802 -9.442 6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.015 -9.057 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.728 -8.688 3.746 1.00 0.00 H new ATOM 129 N ALA A 10 4.711 -6.937 6.007 1.00 0.00 N ATOM 130 CA ALA A 10 4.551 -5.497 6.269 1.00 0.00 C ATOM 131 C ALA A 10 5.333 -5.055 7.509 1.00 0.00 C ATOM 132 O ALA A 10 6.110 -4.104 7.450 1.00 0.00 O ATOM 133 CB ALA A 10 3.076 -5.126 6.423 1.00 0.00 C ATOM 0 H ALA A 10 3.832 -7.441 5.887 1.00 0.00 H new ATOM 0 HA ALA A 10 4.958 -4.971 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.988 -4.057 6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.541 -5.375 5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.646 -5.681 7.257 1.00 0.00 H new ATOM 139 N GLU A 11 5.150 -5.768 8.621 1.00 0.00 N ATOM 140 CA GLU A 11 5.830 -5.414 9.876 1.00 0.00 C ATOM 141 C GLU A 11 7.309 -5.760 9.808 1.00 0.00 C ATOM 142 O GLU A 11 8.128 -5.177 10.515 1.00 0.00 O ATOM 143 CB GLU A 11 5.195 -6.123 11.078 1.00 0.00 C ATOM 144 CG GLU A 11 3.754 -5.730 11.359 1.00 0.00 C ATOM 145 CD GLU A 11 3.229 -6.369 12.624 1.00 0.00 C ATOM 146 OE1 GLU A 11 3.084 -7.602 12.651 1.00 0.00 O ATOM 147 OE2 GLU A 11 2.969 -5.640 13.606 1.00 0.00 O ATOM 0 H GLU A 11 4.544 -6.586 8.683 1.00 0.00 H new ATOM 0 HA GLU A 11 5.719 -4.338 10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.238 -7.199 10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.794 -5.913 11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.684 -4.646 11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.127 -6.024 10.517 1.00 0.00 H new ATOM 154 N LEU A 12 7.644 -6.677 8.922 1.00 0.00 N ATOM 155 CA LEU A 12 9.030 -7.120 8.768 1.00 0.00 C ATOM 156 C LEU A 12 9.821 -6.069 8.022 1.00 0.00 C ATOM 157 O LEU A 12 10.932 -5.719 8.410 1.00 0.00 O ATOM 158 CB LEU A 12 9.117 -8.475 8.033 1.00 0.00 C ATOM 159 CG LEU A 12 8.927 -9.745 8.889 1.00 0.00 C ATOM 160 CD1 LEU A 12 7.726 -9.628 9.814 1.00 0.00 C ATOM 161 CD2 LEU A 12 8.775 -10.953 7.989 1.00 0.00 C ATOM 0 H LEU A 12 6.982 -7.134 8.295 1.00 0.00 H new ATOM 0 HA LEU A 12 9.453 -7.258 9.763 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.365 -8.482 7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.091 -8.536 7.547 1.00 0.00 H new ATOM 0 HG LEU A 12 9.813 -9.863 9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.627 -10.542 10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.865 -8.781 10.485 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.824 -9.477 9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.641 -11.847 8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.906 -10.820 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.668 -11.064 7.374 1.00 0.00 H new ATOM 173 N GLN A 13 9.232 -5.556 6.958 1.00 0.00 N ATOM 174 CA GLN A 13 9.859 -4.515 6.159 1.00 0.00 C ATOM 175 C GLN A 13 9.974 -3.225 6.954 1.00 0.00 C ATOM 176 O GLN A 13 10.953 -2.496 6.831 1.00 0.00 O ATOM 177 CB GLN A 13 9.075 -4.273 4.874 1.00 0.00 C ATOM 178 CG GLN A 13 9.100 -5.439 3.907 1.00 0.00 C ATOM 179 CD GLN A 13 8.182 -5.221 2.729 1.00 0.00 C ATOM 180 OE1 GLN A 13 7.913 -4.083 2.342 1.00 0.00 O ATOM 181 NE2 GLN A 13 7.714 -6.302 2.139 1.00 0.00 N ATOM 0 H GLN A 13 8.313 -5.845 6.624 1.00 0.00 H new ATOM 0 HA GLN A 13 10.861 -4.851 5.894 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.039 -4.048 5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.478 -3.392 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.118 -5.590 3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.807 -6.349 4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.963 -7.225 2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.102 -6.216 1.327 1.00 0.00 H new ATOM 190 N ARG A 14 8.972 -2.953 7.787 1.00 0.00 N ATOM 191 CA ARG A 14 8.991 -1.764 8.633 1.00 0.00 C ATOM 192 C ARG A 14 10.134 -1.854 9.630 1.00 0.00 C ATOM 193 O ARG A 14 10.892 -0.904 9.808 1.00 0.00 O ATOM 194 CB ARG A 14 7.660 -1.580 9.372 1.00 0.00 C ATOM 195 CG ARG A 14 6.495 -1.205 8.470 1.00 0.00 C ATOM 196 CD ARG A 14 5.193 -1.157 9.251 1.00 0.00 C ATOM 197 NE ARG A 14 5.278 -0.257 10.405 1.00 0.00 N ATOM 198 CZ ARG A 14 4.577 -0.411 11.536 1.00 0.00 C ATOM 199 NH1 ARG A 14 3.693 -1.403 11.649 1.00 0.00 N ATOM 200 NH2 ARG A 14 4.752 0.440 12.544 1.00 0.00 N ATOM 0 H ARG A 14 8.142 -3.536 7.894 1.00 0.00 H new ATOM 0 HA ARG A 14 9.139 -0.896 7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.417 -2.504 9.896 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.782 -0.807 10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.684 -0.234 8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.410 -1.929 7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.388 -0.829 8.594 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.937 -2.160 9.592 1.00 0.00 H new ATOM 0 HE ARG A 14 5.913 0.539 10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.548 -2.048 10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.161 -1.517 12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.418 1.207 12.454 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.220 0.325 13.406 1.00 0.00 H new ATOM 214 N LEU A 15 10.263 -3.013 10.262 1.00 0.00 N ATOM 215 CA LEU A 15 11.328 -3.252 11.224 1.00 0.00 C ATOM 216 C LEU A 15 12.689 -3.244 10.528 1.00 0.00 C ATOM 217 O LEU A 15 13.670 -2.730 11.062 1.00 0.00 O ATOM 218 CB LEU A 15 11.102 -4.592 11.940 1.00 0.00 C ATOM 219 CG LEU A 15 12.142 -4.983 12.993 1.00 0.00 C ATOM 220 CD1 LEU A 15 12.207 -3.948 14.109 1.00 0.00 C ATOM 221 CD2 LEU A 15 11.822 -6.356 13.558 1.00 0.00 C ATOM 0 H LEU A 15 9.638 -3.807 10.123 1.00 0.00 H new ATOM 0 HA LEU A 15 11.315 -2.452 11.964 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.124 -4.563 12.420 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.064 -5.380 11.188 1.00 0.00 H new ATOM 0 HG LEU A 15 13.120 -5.019 12.512 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.954 -4.251 14.843 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.481 -2.979 13.691 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.233 -3.872 14.592 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.568 -6.624 14.306 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.835 -6.338 14.020 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.833 -7.092 12.754 1.00 0.00 H new ATOM 233 N LYS A 16 12.729 -3.799 9.323 1.00 0.00 N ATOM 234 CA LYS A 16 13.964 -3.851 8.535 1.00 0.00 C ATOM 235 C LYS A 16 14.404 -2.444 8.138 1.00 0.00 C ATOM 236 O LYS A 16 15.596 -2.127 8.140 1.00 0.00 O ATOM 237 CB LYS A 16 13.775 -4.725 7.281 1.00 0.00 C ATOM 238 CG LYS A 16 15.027 -4.883 6.435 1.00 0.00 C ATOM 239 CD LYS A 16 14.772 -5.791 5.243 1.00 0.00 C ATOM 240 CE LYS A 16 16.008 -5.925 4.368 1.00 0.00 C ATOM 241 NZ LYS A 16 16.436 -4.621 3.806 1.00 0.00 N ATOM 0 H LYS A 16 11.921 -4.221 8.865 1.00 0.00 H new ATOM 0 HA LYS A 16 14.743 -4.299 9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.432 -5.713 7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.987 -4.291 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.360 -3.905 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.832 -5.295 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.465 -6.776 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.948 -5.393 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.822 -6.352 4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.802 -6.620 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.108 -4.782 3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.606 -4.109 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.895 -4.056 4.549 1.00 0.00 H new ATOM 255 N ASN A 17 13.435 -1.596 7.836 1.00 0.00 N ATOM 256 CA ASN A 17 13.724 -0.219 7.444 1.00 0.00 C ATOM 257 C ASN A 17 14.072 0.613 8.664 1.00 0.00 C ATOM 258 O ASN A 17 14.950 1.472 8.611 1.00 0.00 O ATOM 259 CB ASN A 17 12.545 0.412 6.684 1.00 0.00 C ATOM 260 CG ASN A 17 12.816 1.854 6.286 1.00 0.00 C ATOM 261 OD1 ASN A 17 12.452 2.790 7.003 1.00 0.00 O ATOM 262 ND2 ASN A 17 13.465 2.041 5.152 1.00 0.00 N ATOM 0 H ASN A 17 12.443 -1.832 7.853 1.00 0.00 H new ATOM 0 HA ASN A 17 14.580 -0.237 6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.337 -0.176 5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.652 0.372 7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.683 2.987 4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.748 1.239 4.588 1.00 0.00 H new ATOM 269 N GLU A 18 13.393 0.343 9.770 1.00 0.00 N ATOM 270 CA GLU A 18 13.659 1.040 11.013 1.00 0.00 C ATOM 271 C GLU A 18 15.066 0.709 11.501 1.00 0.00 C ATOM 272 O GLU A 18 15.781 1.574 12.013 1.00 0.00 O ATOM 273 CB GLU A 18 12.609 0.676 12.066 1.00 0.00 C ATOM 274 CG GLU A 18 12.737 1.455 13.361 1.00 0.00 C ATOM 275 CD GLU A 18 11.538 1.281 14.264 1.00 0.00 C ATOM 276 OE1 GLU A 18 10.610 2.113 14.190 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.512 0.317 15.056 1.00 0.00 O ATOM 0 H GLU A 18 12.653 -0.356 9.828 1.00 0.00 H new ATOM 0 HA GLU A 18 13.598 2.115 10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.617 0.846 11.648 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.684 -0.389 12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.634 1.131 13.888 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.865 2.513 13.133 1.00 0.00 H new ATOM 284 N ARG A 19 15.471 -0.546 11.317 1.00 0.00 N ATOM 285 CA ARG A 19 16.824 -0.967 11.672 1.00 0.00 C ATOM 286 C ARG A 19 17.829 -0.257 10.768 1.00 0.00 C ATOM 287 O ARG A 19 18.889 0.175 11.217 1.00 0.00 O ATOM 288 CB ARG A 19 16.992 -2.494 11.561 1.00 0.00 C ATOM 289 CG ARG A 19 18.340 -3.002 12.063 1.00 0.00 C ATOM 290 CD ARG A 19 18.457 -4.512 11.920 1.00 0.00 C ATOM 291 NE ARG A 19 19.708 -5.023 12.490 1.00 0.00 N ATOM 292 CZ ARG A 19 20.094 -6.305 12.446 1.00 0.00 C ATOM 293 NH1 ARG A 19 19.337 -7.215 11.837 1.00 0.00 N ATOM 294 NH2 ARG A 19 21.237 -6.671 13.009 1.00 0.00 N ATOM 0 H ARG A 19 14.886 -1.285 10.927 1.00 0.00 H new ATOM 0 HA ARG A 19 17.006 -0.694 12.711 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.197 -2.980 12.127 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.868 -2.789 10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.142 -2.520 11.505 1.00 0.00 H new ATOM 0 HG3 ARG A 19 18.468 -2.724 13.109 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.611 -4.990 12.415 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.403 -4.781 10.865 1.00 0.00 H new ATOM 0 HE ARG A 19 20.327 -4.356 12.952 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.458 -6.938 11.401 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.636 -8.190 11.807 1.00 0.00 H new ATOM 0 HH21 ARG A 19 21.821 -5.977 13.475 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.532 -7.647 12.976 1.00 0.00 H new ATOM 308 N HIS A 20 17.478 -0.130 9.486 1.00 0.00 N ATOM 309 CA HIS A 20 18.327 0.585 8.525 1.00 0.00 C ATOM 310 C HIS A 20 18.406 2.066 8.901 1.00 0.00 C ATOM 311 O HIS A 20 19.416 2.721 8.678 1.00 0.00 O ATOM 312 CB HIS A 20 17.809 0.427 7.080 1.00 0.00 C ATOM 313 CG HIS A 20 18.744 0.986 6.043 1.00 0.00 C ATOM 314 ND1 HIS A 20 18.549 2.200 5.420 1.00 0.00 N ATOM 315 CD2 HIS A 20 19.891 0.485 5.526 1.00 0.00 C ATOM 316 CE1 HIS A 20 19.529 2.423 4.570 1.00 0.00 C ATOM 317 NE2 HIS A 20 20.360 1.398 4.615 1.00 0.00 N ATOM 0 H HIS A 20 16.618 -0.509 9.090 1.00 0.00 H new ATOM 0 HA HIS A 20 19.324 0.147 8.567 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.643 -0.631 6.876 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.843 0.924 6.992 1.00 0.00 H new ATOM 0 HD2 HIS A 20 20.351 -0.458 5.783 1.00 0.00 H new ATOM 0 HE1 HIS A 20 19.635 3.296 3.943 1.00 0.00 H new ATOM 0 HE2 HIS A 20 21.212 1.301 4.063 1.00 0.00 H new ATOM 325 N GLU A 21 17.326 2.579 9.465 1.00 0.00 N ATOM 326 CA GLU A 21 17.280 3.966 9.938 1.00 0.00 C ATOM 327 C GLU A 21 18.354 4.179 11.023 1.00 0.00 C ATOM 328 O GLU A 21 19.056 5.196 11.039 1.00 0.00 O ATOM 329 CB GLU A 21 15.882 4.294 10.495 1.00 0.00 C ATOM 330 CG GLU A 21 15.639 5.765 10.740 1.00 0.00 C ATOM 331 CD GLU A 21 15.577 6.549 9.456 1.00 0.00 C ATOM 332 OE1 GLU A 21 14.594 6.389 8.709 1.00 0.00 O ATOM 333 OE2 GLU A 21 16.508 7.331 9.191 1.00 0.00 O ATOM 0 H GLU A 21 16.461 2.058 9.610 1.00 0.00 H new ATOM 0 HA GLU A 21 17.482 4.635 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.130 3.925 9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.741 3.754 11.431 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.705 5.892 11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.434 6.164 11.370 1.00 0.00 H new ATOM 340 N GLU A 22 18.477 3.190 11.914 1.00 0.00 N ATOM 341 CA GLU A 22 19.502 3.206 12.977 1.00 0.00 C ATOM 342 C GLU A 22 20.888 2.997 12.364 1.00 0.00 C ATOM 343 O GLU A 22 21.913 3.352 12.951 1.00 0.00 O ATOM 344 CB GLU A 22 19.219 2.107 14.026 1.00 0.00 C ATOM 345 CG GLU A 22 20.251 2.019 15.148 1.00 0.00 C ATOM 346 CD GLU A 22 20.246 3.227 16.062 1.00 0.00 C ATOM 347 OE1 GLU A 22 19.275 3.381 16.838 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.224 4.004 16.041 1.00 0.00 O ATOM 0 H GLU A 22 17.880 2.363 11.925 1.00 0.00 H new ATOM 0 HA GLU A 22 19.470 4.175 13.475 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.238 2.287 14.466 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.169 1.143 13.519 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.059 1.124 15.739 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.243 1.906 14.712 1.00 0.00 H new ATOM 355 N ALA A 23 20.903 2.460 11.160 1.00 0.00 N ATOM 356 CA ALA A 23 22.147 2.185 10.464 1.00 0.00 C ATOM 357 C ALA A 23 22.683 3.465 9.864 1.00 0.00 C ATOM 358 O ALA A 23 23.891 3.666 9.781 1.00 0.00 O ATOM 359 CB ALA A 23 21.952 1.132 9.387 1.00 0.00 C ATOM 0 H ALA A 23 20.064 2.204 10.640 1.00 0.00 H new ATOM 0 HA ALA A 23 22.869 1.793 11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 23 22.901 0.947 8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.597 0.208 9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.219 1.485 8.662 1.00 0.00 H new ATOM 365 N GLU A 24 21.770 4.334 9.452 1.00 0.00 N ATOM 366 CA GLU A 24 22.138 5.636 8.926 1.00 0.00 C ATOM 367 C GLU A 24 22.722 6.480 10.044 1.00 0.00 C ATOM 368 O GLU A 24 23.727 7.160 9.863 1.00 0.00 O ATOM 369 CB GLU A 24 20.928 6.331 8.301 1.00 0.00 C ATOM 370 CG GLU A 24 20.365 5.603 7.095 1.00 0.00 C ATOM 371 CD GLU A 24 21.371 5.502 5.972 1.00 0.00 C ATOM 372 OE1 GLU A 24 22.055 4.472 5.867 1.00 0.00 O ATOM 373 OE2 GLU A 24 21.489 6.464 5.190 1.00 0.00 O ATOM 0 H GLU A 24 20.766 4.157 9.473 1.00 0.00 H new ATOM 0 HA GLU A 24 22.886 5.507 8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.146 6.428 9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 24 21.212 7.341 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.050 4.602 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.476 6.125 6.739 1.00 0.00 H new ATOM 380 N LEU A 25 22.082 6.420 11.208 1.00 0.00 N ATOM 381 CA LEU A 25 22.579 7.105 12.392 1.00 0.00 C ATOM 382 C LEU A 25 23.969 6.597 12.738 1.00 0.00 C ATOM 383 O LEU A 25 24.858 7.368 13.108 1.00 0.00 O ATOM 384 CB LEU A 25 21.635 6.887 13.576 1.00 0.00 C ATOM 385 CG LEU A 25 20.221 7.443 13.418 1.00 0.00 C ATOM 386 CD1 LEU A 25 19.363 7.065 14.612 1.00 0.00 C ATOM 387 CD2 LEU A 25 20.259 8.955 13.246 1.00 0.00 C ATOM 0 H LEU A 25 21.216 5.902 11.355 1.00 0.00 H new ATOM 0 HA LEU A 25 22.629 8.173 12.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 21.564 5.816 13.765 1.00 0.00 H new ATOM 0 HB3 LEU A 25 22.084 7.338 14.461 1.00 0.00 H new ATOM 0 HG LEU A 25 19.777 7.005 12.524 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.359 7.470 14.482 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.309 5.979 14.692 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.804 7.474 15.521 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.243 9.334 13.135 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.722 9.409 14.122 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.839 9.206 12.358 1.00 0.00 H new ATOM 399 N GLU A 26 24.149 5.287 12.619 1.00 0.00 N ATOM 400 CA GLU A 26 25.428 4.655 12.873 1.00 0.00 C ATOM 401 C GLU A 26 26.462 5.107 11.838 1.00 0.00 C ATOM 402 O GLU A 26 27.635 5.314 12.161 1.00 0.00 O ATOM 403 CB GLU A 26 25.272 3.134 12.825 1.00 0.00 C ATOM 404 CG GLU A 26 26.354 2.385 13.571 1.00 0.00 C ATOM 405 CD GLU A 26 26.350 2.715 15.042 1.00 0.00 C ATOM 406 OE1 GLU A 26 27.146 3.579 15.465 1.00 0.00 O ATOM 407 OE2 GLU A 26 25.536 2.128 15.781 1.00 0.00 O ATOM 0 H GLU A 26 23.411 4.638 12.344 1.00 0.00 H new ATOM 0 HA GLU A 26 25.775 4.950 13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.302 2.864 13.243 1.00 0.00 H new ATOM 0 HB3 GLU A 26 25.271 2.811 11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 26 26.211 1.313 13.439 1.00 0.00 H new ATOM 0 HG3 GLU A 26 27.327 2.632 13.146 1.00 0.00 H new ATOM 414 N ARG A 27 26.012 5.270 10.597 1.00 0.00 N ATOM 415 CA ARG A 27 26.888 5.705 9.510 1.00 0.00 C ATOM 416 C ARG A 27 27.260 7.174 9.667 1.00 0.00 C ATOM 417 O ARG A 27 28.337 7.598 9.255 1.00 0.00 O ATOM 418 CB ARG A 27 26.251 5.434 8.129 1.00 0.00 C ATOM 419 CG ARG A 27 27.118 5.872 6.958 1.00 0.00 C ATOM 420 CD ARG A 27 26.825 5.067 5.699 1.00 0.00 C ATOM 421 NE ARG A 27 25.412 5.101 5.313 1.00 0.00 N ATOM 422 CZ ARG A 27 24.981 5.072 4.048 1.00 0.00 C ATOM 423 NH1 ARG A 27 25.851 5.086 3.042 1.00 0.00 N ATOM 424 NH2 ARG A 27 23.683 5.033 3.792 1.00 0.00 N ATOM 0 H ARG A 27 25.045 5.107 10.317 1.00 0.00 H new ATOM 0 HA ARG A 27 27.805 5.118 9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 27 26.044 4.368 8.037 1.00 0.00 H new ATOM 0 HB3 ARG A 27 25.293 5.951 8.073 1.00 0.00 H new ATOM 0 HG2 ARG A 27 26.950 6.930 6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 27 28.169 5.760 7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 27 27.429 5.454 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 27 27.128 4.032 5.858 1.00 0.00 H new ATOM 0 HE ARG A 27 24.714 5.150 6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 27 26.852 5.119 3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 27 25.517 5.064 2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 27 23.012 5.025 4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 27 23.354 5.011 2.827 1.00 0.00 H new ATOM 438 N LEU A 28 26.380 7.946 10.287 1.00 0.00 N ATOM 439 CA LEU A 28 26.668 9.356 10.551 1.00 0.00 C ATOM 440 C LEU A 28 27.833 9.467 11.535 1.00 0.00 C ATOM 441 O LEU A 28 28.573 10.451 11.540 1.00 0.00 O ATOM 442 CB LEU A 28 25.431 10.098 11.093 1.00 0.00 C ATOM 443 CG LEU A 28 25.610 11.603 11.320 1.00 0.00 C ATOM 444 CD1 LEU A 28 25.965 12.309 10.018 1.00 0.00 C ATOM 445 CD2 LEU A 28 24.353 12.203 11.922 1.00 0.00 C ATOM 0 H LEU A 28 25.468 7.628 10.616 1.00 0.00 H new ATOM 0 HA LEU A 28 26.943 9.830 9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.606 9.949 10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 28 25.138 9.638 12.037 1.00 0.00 H new ATOM 0 HG LEU A 28 26.433 11.745 12.021 1.00 0.00 H new ATOM 0 HD11 LEU A 28 26.087 13.376 10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 28 26.896 11.901 9.625 1.00 0.00 H new ATOM 0 HD13 LEU A 28 25.166 12.156 9.292 1.00 0.00 H new ATOM 0 HD21 LEU A 28 24.498 13.272 12.076 1.00 0.00 H new ATOM 0 HD22 LEU A 28 23.514 12.045 11.245 1.00 0.00 H new ATOM 0 HD23 LEU A 28 24.143 11.724 12.878 1.00 0.00 H new ATOM 457 N LYS A 29 28.005 8.429 12.348 1.00 0.00 N ATOM 458 CA LYS A 29 29.104 8.374 13.300 1.00 0.00 C ATOM 459 C LYS A 29 30.404 8.083 12.565 1.00 0.00 C ATOM 460 O LYS A 29 31.495 8.327 13.080 1.00 0.00 O ATOM 461 CB LYS A 29 28.866 7.294 14.355 1.00 0.00 C ATOM 462 CG LYS A 29 27.536 7.393 15.083 1.00 0.00 C ATOM 463 CD LYS A 29 27.316 8.771 15.674 1.00 0.00 C ATOM 464 CE LYS A 29 26.088 8.799 16.566 1.00 0.00 C ATOM 465 NZ LYS A 29 24.880 8.267 15.882 1.00 0.00 N ATOM 0 H LYS A 29 27.394 7.613 12.365 1.00 0.00 H new ATOM 0 HA LYS A 29 29.168 9.339 13.802 1.00 0.00 H new ATOM 0 HB2 LYS A 29 28.929 6.317 13.875 1.00 0.00 H new ATOM 0 HB3 LYS A 29 29.670 7.341 15.089 1.00 0.00 H new ATOM 0 HG2 LYS A 29 26.726 7.161 14.392 1.00 0.00 H new ATOM 0 HG3 LYS A 29 27.501 6.647 15.877 1.00 0.00 H new ATOM 0 HD2 LYS A 29 28.193 9.066 16.250 1.00 0.00 H new ATOM 0 HD3 LYS A 29 27.202 9.499 14.871 1.00 0.00 H new ATOM 0 HE2 LYS A 29 26.281 8.213 17.465 1.00 0.00 H new ATOM 0 HE3 LYS A 29 25.899 9.823 16.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 24.061 8.867 16.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 25.036 8.265 14.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.697 7.296 16.206 1.00 0.00 H new ATOM 479 N SER A 30 30.276 7.570 11.351 1.00 0.00 N ATOM 480 CA SER A 30 31.426 7.241 10.534 1.00 0.00 C ATOM 481 C SER A 30 31.923 8.503 9.844 1.00 0.00 C ATOM 482 O SER A 30 33.074 8.584 9.411 1.00 0.00 O ATOM 483 CB SER A 30 31.061 6.169 9.501 1.00 0.00 C ATOM 484 OG SER A 30 30.517 5.015 10.137 1.00 0.00 O ATOM 0 H SER A 30 29.378 7.372 10.910 1.00 0.00 H new ATOM 0 HA SER A 30 32.218 6.840 11.166 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.339 6.573 8.791 1.00 0.00 H new ATOM 0 HB3 SER A 30 31.947 5.891 8.930 1.00 0.00 H new ATOM 0 HG SER A 30 30.006 4.492 9.484 1.00 0.00 H new ATOM 490 N GLU A 31 31.040 9.493 9.751 1.00 0.00 N ATOM 491 CA GLU A 31 31.378 10.773 9.170 1.00 0.00 C ATOM 492 C GLU A 31 32.313 11.525 10.098 1.00 0.00 C ATOM 493 O GLU A 31 33.404 11.895 9.712 1.00 0.00 O ATOM 494 CB GLU A 31 30.117 11.600 8.912 1.00 0.00 C ATOM 495 CG GLU A 31 29.148 10.959 7.933 1.00 0.00 C ATOM 496 CD GLU A 31 29.774 10.719 6.582 1.00 0.00 C ATOM 497 OE1 GLU A 31 29.930 11.689 5.811 1.00 0.00 O ATOM 498 OE2 GLU A 31 30.119 9.563 6.283 1.00 0.00 O ATOM 0 H GLU A 31 30.076 9.424 10.077 1.00 0.00 H new ATOM 0 HA GLU A 31 31.877 10.603 8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 31 29.604 11.766 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 31 30.408 12.579 8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 31 28.796 10.012 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 31 28.274 11.600 7.817 1.00 0.00 H new ATOM 505 N ARG A 32 31.868 11.732 11.334 1.00 0.00 N ATOM 506 CA ARG A 32 32.679 12.422 12.345 1.00 0.00 C ATOM 507 C ARG A 32 34.010 11.690 12.583 1.00 0.00 C ATOM 508 O ARG A 32 35.035 12.316 12.851 1.00 0.00 O ATOM 509 CB ARG A 32 31.893 12.553 13.663 1.00 0.00 C ATOM 510 CG ARG A 32 32.669 13.226 14.796 1.00 0.00 C ATOM 511 CD ARG A 32 33.099 14.638 14.424 1.00 0.00 C ATOM 512 NE ARG A 32 33.917 15.258 15.470 1.00 0.00 N ATOM 513 CZ ARG A 32 34.941 16.086 15.233 1.00 0.00 C ATOM 514 NH1 ARG A 32 35.282 16.395 13.986 1.00 0.00 N ATOM 515 NH2 ARG A 32 35.617 16.608 16.247 1.00 0.00 N ATOM 0 H ARG A 32 30.950 11.433 11.664 1.00 0.00 H new ATOM 0 HA ARG A 32 32.907 13.420 11.972 1.00 0.00 H new ATOM 0 HB2 ARG A 32 30.983 13.122 13.474 1.00 0.00 H new ATOM 0 HB3 ARG A 32 31.586 11.559 13.989 1.00 0.00 H new ATOM 0 HG2 ARG A 32 32.049 13.259 15.692 1.00 0.00 H new ATOM 0 HG3 ARG A 32 33.549 12.630 15.039 1.00 0.00 H new ATOM 0 HD2 ARG A 32 33.663 14.611 13.492 1.00 0.00 H new ATOM 0 HD3 ARG A 32 32.215 15.250 14.245 1.00 0.00 H new ATOM 0 HE ARG A 32 33.691 15.045 16.442 1.00 0.00 H new ATOM 0 HH11 ARG A 32 34.762 16.000 13.202 1.00 0.00 H new ATOM 0 HH12 ARG A 32 36.064 17.027 13.813 1.00 0.00 H new ATOM 0 HH21 ARG A 32 35.356 16.378 17.206 1.00 0.00 H new ATOM 0 HH22 ARG A 32 36.398 17.239 16.068 1.00 0.00 H new ATOM 529 N HIS A 33 33.982 10.371 12.449 1.00 0.00 N ATOM 530 CA HIS A 33 35.169 9.534 12.658 1.00 0.00 C ATOM 531 C HIS A 33 36.213 9.708 11.561 1.00 0.00 C ATOM 532 O HIS A 33 37.348 9.266 11.720 1.00 0.00 O ATOM 533 CB HIS A 33 34.783 8.058 12.754 1.00 0.00 C ATOM 534 CG HIS A 33 34.660 7.549 14.151 1.00 0.00 C ATOM 535 ND1 HIS A 33 33.454 7.395 14.794 1.00 0.00 N ATOM 536 CD2 HIS A 33 35.606 7.129 15.025 1.00 0.00 C ATOM 537 CE1 HIS A 33 33.655 6.905 15.998 1.00 0.00 C ATOM 538 NE2 HIS A 33 34.953 6.731 16.167 1.00 0.00 N ATOM 0 H HIS A 33 33.144 9.848 12.194 1.00 0.00 H new ATOM 0 HA HIS A 33 35.612 9.864 13.598 1.00 0.00 H new ATOM 0 HB2 HIS A 33 33.834 7.908 12.239 1.00 0.00 H new ATOM 0 HB3 HIS A 33 35.529 7.464 12.227 1.00 0.00 H new ATOM 0 HD1 HIS A 33 32.543 7.626 14.398 1.00 0.00 H new ATOM 0 HD2 HIS A 33 36.673 7.110 14.856 1.00 0.00 H new ATOM 0 HE1 HIS A 33 32.888 6.683 16.725 1.00 0.00 H new ATOM 546 N ASP A 34 35.832 10.338 10.449 1.00 0.00 N ATOM 547 CA ASP A 34 36.750 10.485 9.307 1.00 0.00 C ATOM 548 C ASP A 34 38.047 11.178 9.717 1.00 0.00 C ATOM 549 O ASP A 34 39.108 10.802 9.274 1.00 0.00 O ATOM 550 CB ASP A 34 36.091 11.224 8.114 1.00 0.00 C ATOM 551 CG ASP A 34 36.147 12.744 8.214 1.00 0.00 C ATOM 552 OD1 ASP A 34 35.740 13.299 9.252 1.00 0.00 O ATOM 553 OD2 ASP A 34 36.577 13.391 7.234 1.00 0.00 O ATOM 0 H ASP A 34 34.910 10.751 10.310 1.00 0.00 H new ATOM 0 HA ASP A 34 36.992 9.476 8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 34 36.582 10.913 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 34 35.049 10.914 8.040 1.00 0.00 H new ATOM 558 N HIS A 35 37.949 12.184 10.572 1.00 0.00 N ATOM 559 CA HIS A 35 39.137 12.912 11.053 1.00 0.00 C ATOM 560 C HIS A 35 40.131 11.988 11.783 1.00 0.00 C ATOM 561 O HIS A 35 41.328 12.272 11.831 1.00 0.00 O ATOM 562 CB HIS A 35 38.733 14.091 11.967 1.00 0.00 C ATOM 563 CG HIS A 35 39.897 14.907 12.456 1.00 0.00 C ATOM 564 ND1 HIS A 35 40.417 14.789 13.728 1.00 0.00 N ATOM 565 CD2 HIS A 35 40.645 15.849 11.835 1.00 0.00 C ATOM 566 CE1 HIS A 35 41.433 15.624 13.861 1.00 0.00 C ATOM 567 NE2 HIS A 35 41.589 16.274 12.731 1.00 0.00 N ATOM 0 H HIS A 35 37.065 12.523 10.953 1.00 0.00 H new ATOM 0 HA HIS A 35 39.641 13.307 10.171 1.00 0.00 H new ATOM 0 HB2 HIS A 35 38.048 14.742 11.423 1.00 0.00 H new ATOM 0 HB3 HIS A 35 38.188 13.702 12.827 1.00 0.00 H new ATOM 0 HD2 HIS A 35 40.520 16.200 10.821 1.00 0.00 H new ATOM 0 HE1 HIS A 35 42.034 15.750 14.750 1.00 0.00 H new ATOM 0 HE2 HIS A 35 42.300 16.983 12.550 1.00 0.00 H new ATOM 575 N ASP A 36 39.635 10.883 12.326 1.00 0.00 N ATOM 576 CA ASP A 36 40.490 9.951 13.076 1.00 0.00 C ATOM 577 C ASP A 36 41.081 8.885 12.179 1.00 0.00 C ATOM 578 O ASP A 36 41.958 8.127 12.601 1.00 0.00 O ATOM 579 CB ASP A 36 39.719 9.272 14.216 1.00 0.00 C ATOM 580 CG ASP A 36 39.328 10.227 15.308 1.00 0.00 C ATOM 581 OD1 ASP A 36 38.122 10.445 15.511 1.00 0.00 O ATOM 582 OD2 ASP A 36 40.227 10.770 15.977 1.00 0.00 O ATOM 0 H ASP A 36 38.655 10.606 12.266 1.00 0.00 H new ATOM 0 HA ASP A 36 41.299 10.549 13.496 1.00 0.00 H new ATOM 0 HB2 ASP A 36 38.822 8.803 13.812 1.00 0.00 H new ATOM 0 HB3 ASP A 36 40.332 8.476 14.639 1.00 0.00 H new ATOM 587 N LYS A 37 40.617 8.826 10.948 1.00 0.00 N ATOM 588 CA LYS A 37 41.065 7.818 10.022 1.00 0.00 C ATOM 589 C LYS A 37 40.962 8.374 8.610 1.00 0.00 C ATOM 590 O LYS A 37 40.492 7.705 7.681 1.00 0.00 O ATOM 591 CB LYS A 37 40.196 6.565 10.190 1.00 0.00 C ATOM 592 CG LYS A 37 40.842 5.276 9.712 1.00 0.00 C ATOM 593 CD LYS A 37 39.959 4.075 10.031 1.00 0.00 C ATOM 594 CE LYS A 37 40.585 2.774 9.555 1.00 0.00 C ATOM 595 NZ LYS A 37 41.791 2.410 10.337 1.00 0.00 N ATOM 0 H LYS A 37 39.925 9.471 10.568 1.00 0.00 H new ATOM 0 HA LYS A 37 42.102 7.545 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 37 39.938 6.457 11.243 1.00 0.00 H new ATOM 0 HB3 LYS A 37 39.263 6.711 9.646 1.00 0.00 H new ATOM 0 HG2 LYS A 37 41.017 5.329 8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 37 41.815 5.154 10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 37 39.788 4.024 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 37 38.985 4.204 9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 37 39.851 1.972 9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 37 40.852 2.866 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 42.123 1.469 10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 42.540 3.110 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 41.556 2.395 11.350 1.00 0.00 H new ATOM 609 N LYS A 38 41.412 9.614 8.459 1.00 0.00 N ATOM 610 CA LYS A 38 41.328 10.306 7.184 1.00 0.00 C ATOM 611 C LYS A 38 42.392 9.815 6.231 1.00 0.00 C ATOM 612 O LYS A 38 43.494 10.364 6.154 1.00 0.00 O ATOM 613 CB LYS A 38 41.412 11.835 7.363 1.00 0.00 C ATOM 614 CG LYS A 38 41.242 12.612 6.071 1.00 0.00 C ATOM 615 CD LYS A 38 41.193 14.105 6.322 1.00 0.00 C ATOM 616 CE LYS A 38 41.215 14.881 5.017 1.00 0.00 C ATOM 617 NZ LYS A 38 42.518 14.746 4.317 1.00 0.00 N ATOM 0 H LYS A 38 41.839 10.160 9.207 1.00 0.00 H new ATOM 0 HA LYS A 38 40.354 10.079 6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 38 40.645 12.152 8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 38 42.376 12.088 7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 38 42.067 12.383 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 38 40.325 12.296 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.291 14.353 6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 38 42.042 14.401 6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 38 40.415 14.524 4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.017 15.934 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 42.607 15.495 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 43.293 14.832 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 42.568 13.816 3.853 1.00 0.00 H new ATOM 631 N GLU A 39 42.070 8.753 5.543 1.00 0.00 N ATOM 632 CA GLU A 39 42.967 8.159 4.573 1.00 0.00 C ATOM 633 C GLU A 39 42.181 7.337 3.557 1.00 0.00 C ATOM 634 O GLU A 39 42.715 6.402 2.952 1.00 0.00 O ATOM 635 CB GLU A 39 43.990 7.273 5.287 1.00 0.00 C ATOM 636 CG GLU A 39 43.368 6.155 6.100 1.00 0.00 C ATOM 637 CD GLU A 39 44.394 5.309 6.805 1.00 0.00 C ATOM 638 OE1 GLU A 39 44.623 5.528 8.011 1.00 0.00 O ATOM 639 OE2 GLU A 39 44.983 4.423 6.162 1.00 0.00 O ATOM 0 H GLU A 39 41.177 8.269 5.635 1.00 0.00 H new ATOM 0 HA GLU A 39 43.491 8.955 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 39 44.662 6.840 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 39 44.598 7.894 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 39 42.687 6.582 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 39 42.771 5.523 5.443 1.00 0.00 H new ATOM 646 N ALA A 40 40.904 7.711 3.363 1.00 0.00 N ATOM 647 CA ALA A 40 40.006 6.999 2.448 1.00 0.00 C ATOM 648 C ALA A 40 39.849 5.537 2.886 1.00 0.00 C ATOM 649 O ALA A 40 39.740 4.632 2.058 1.00 0.00 O ATOM 650 CB ALA A 40 40.529 7.081 1.014 1.00 0.00 C ATOM 0 H ALA A 40 40.473 8.507 3.832 1.00 0.00 H new ATOM 0 HA ALA A 40 39.026 7.475 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 40 39.851 6.547 0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 40 40.591 8.125 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 40 41.519 6.629 0.961 1.00 0.00 H new ATOM 656 N GLU A 41 39.803 5.326 4.195 1.00 0.00 N ATOM 657 CA GLU A 41 39.717 4.026 4.767 1.00 0.00 C ATOM 658 C GLU A 41 38.891 4.122 6.022 1.00 0.00 C ATOM 659 O GLU A 41 39.373 4.523 7.064 1.00 0.00 O ATOM 660 CB GLU A 41 41.113 3.480 5.090 1.00 0.00 C ATOM 661 CG GLU A 41 41.114 2.058 5.625 1.00 0.00 C ATOM 662 CD GLU A 41 42.500 1.576 5.989 1.00 0.00 C ATOM 663 OE1 GLU A 41 42.895 1.720 7.163 1.00 0.00 O ATOM 664 OE2 GLU A 41 43.200 1.035 5.112 1.00 0.00 O ATOM 0 H GLU A 41 39.826 6.078 4.884 1.00 0.00 H new ATOM 0 HA GLU A 41 39.251 3.341 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 41 41.724 3.518 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 41 41.586 4.133 5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 41 40.472 2.004 6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 41 40.686 1.391 4.876 1.00 0.00 H new ATOM 671 N ARG A 42 37.648 3.804 5.892 1.00 0.00 N ATOM 672 CA ARG A 42 36.734 3.823 6.958 1.00 0.00 C ATOM 673 C ARG A 42 36.113 2.467 7.043 1.00 0.00 C ATOM 674 O ARG A 42 35.639 1.911 6.044 1.00 0.00 O ATOM 675 CB ARG A 42 35.653 4.891 6.754 1.00 0.00 C ATOM 676 CG ARG A 42 36.190 6.312 6.668 1.00 0.00 C ATOM 677 CD ARG A 42 35.060 7.332 6.669 1.00 0.00 C ATOM 678 NE ARG A 42 34.093 7.087 5.596 1.00 0.00 N ATOM 679 CZ ARG A 42 32.872 7.626 5.548 1.00 0.00 C ATOM 680 NH1 ARG A 42 32.466 8.449 6.506 1.00 0.00 N ATOM 681 NH2 ARG A 42 32.059 7.334 4.541 1.00 0.00 N ATOM 0 H ARG A 42 37.236 3.515 5.005 1.00 0.00 H new ATOM 0 HA ARG A 42 37.254 4.072 7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 42 35.104 4.666 5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 42 34.940 4.833 7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 42 36.856 6.503 7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 42 36.783 6.424 5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.548 7.304 7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.476 8.333 6.559 1.00 0.00 H new ATOM 0 HE ARG A 42 34.370 6.465 4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.087 8.673 7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 42 31.533 8.858 6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.367 6.699 3.805 1.00 0.00 H new ATOM 0 HH22 ARG A 42 31.126 7.745 4.503 1.00 0.00 H new ATOM 695 N LYS A 43 36.148 1.949 8.211 1.00 0.00 N ATOM 696 CA LYS A 43 35.650 0.604 8.525 1.00 0.00 C ATOM 697 C LYS A 43 34.212 0.379 8.054 1.00 0.00 C ATOM 698 O LYS A 43 33.807 -0.756 7.861 1.00 0.00 O ATOM 699 CB LYS A 43 35.751 0.289 10.027 1.00 0.00 C ATOM 700 CG LYS A 43 34.773 1.063 10.902 1.00 0.00 C ATOM 701 CD LYS A 43 34.177 0.176 11.997 1.00 0.00 C ATOM 702 CE LYS A 43 33.288 -0.919 11.406 1.00 0.00 C ATOM 703 NZ LYS A 43 32.687 -1.787 12.452 1.00 0.00 N ATOM 0 H LYS A 43 36.529 2.438 9.021 1.00 0.00 H new ATOM 0 HA LYS A 43 36.297 -0.079 7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 43 35.584 -0.778 10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 43 36.766 0.502 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 43 35.284 1.911 11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 43 33.972 1.468 10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 43 34.980 -0.279 12.576 1.00 0.00 H new ATOM 0 HD3 LYS A 43 33.594 0.788 12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 43 32.493 -0.460 10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 43 33.876 -1.532 10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 32.206 -2.591 12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 33.435 -2.140 13.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 31.999 -1.238 13.006 1.00 0.00 H new ATOM 717 N ALA A 44 33.446 1.455 7.888 1.00 0.00 N ATOM 718 CA ALA A 44 32.061 1.328 7.423 1.00 0.00 C ATOM 719 C ALA A 44 32.007 0.574 6.090 1.00 0.00 C ATOM 720 O ALA A 44 31.286 -0.411 5.954 1.00 0.00 O ATOM 721 CB ALA A 44 31.377 2.699 7.313 1.00 0.00 C ATOM 0 H ALA A 44 33.752 2.412 8.065 1.00 0.00 H new ATOM 0 HA ALA A 44 31.510 0.750 8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 44 30.352 2.568 6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 44 31.370 3.182 8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 44 31.923 3.322 6.605 1.00 0.00 H new ATOM 727 N LEU A 45 32.780 1.044 5.115 1.00 0.00 N ATOM 728 CA LEU A 45 32.867 0.399 3.804 1.00 0.00 C ATOM 729 C LEU A 45 33.468 -1.010 3.900 1.00 0.00 C ATOM 730 O LEU A 45 33.037 -1.929 3.198 1.00 0.00 O ATOM 731 CB LEU A 45 33.719 1.261 2.866 1.00 0.00 C ATOM 732 CG LEU A 45 33.938 0.712 1.456 1.00 0.00 C ATOM 733 CD1 LEU A 45 32.625 0.644 0.693 1.00 0.00 C ATOM 734 CD2 LEU A 45 34.952 1.565 0.712 1.00 0.00 C ATOM 0 H LEU A 45 33.361 1.877 5.208 1.00 0.00 H new ATOM 0 HA LEU A 45 31.855 0.302 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 45 33.251 2.242 2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 45 34.694 1.411 3.330 1.00 0.00 H new ATOM 0 HG LEU A 45 34.331 -0.301 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 45 32.805 0.251 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 45 31.931 -0.010 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 45 32.196 1.643 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 45 35.099 1.164 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 45 34.585 2.589 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 45 35.900 1.555 1.250 1.00 0.00 H new ATOM 746 N GLU A 46 34.449 -1.169 4.771 1.00 0.00 N ATOM 747 CA GLU A 46 35.156 -2.452 4.928 1.00 0.00 C ATOM 748 C GLU A 46 34.264 -3.507 5.586 1.00 0.00 C ATOM 749 O GLU A 46 34.029 -4.582 5.030 1.00 0.00 O ATOM 750 CB GLU A 46 36.427 -2.257 5.774 1.00 0.00 C ATOM 751 CG GLU A 46 37.243 -3.523 5.971 1.00 0.00 C ATOM 752 CD GLU A 46 38.295 -3.364 7.042 1.00 0.00 C ATOM 753 OE1 GLU A 46 39.348 -2.754 6.768 1.00 0.00 O ATOM 754 OE2 GLU A 46 38.076 -3.848 8.171 1.00 0.00 O ATOM 0 H GLU A 46 34.784 -0.429 5.388 1.00 0.00 H new ATOM 0 HA GLU A 46 35.426 -2.803 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 46 37.055 -1.504 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 46 36.143 -1.865 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 46 36.577 -4.344 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 46 37.723 -3.794 5.030 1.00 0.00 H new ATOM 761 N ASP A 47 33.765 -3.176 6.759 1.00 0.00 N ATOM 762 CA ASP A 47 32.965 -4.105 7.564 1.00 0.00 C ATOM 763 C ASP A 47 31.539 -4.233 7.030 1.00 0.00 C ATOM 764 O ASP A 47 30.848 -5.213 7.327 1.00 0.00 O ATOM 765 CB ASP A 47 32.961 -3.658 9.044 1.00 0.00 C ATOM 766 CG ASP A 47 32.193 -4.589 9.962 1.00 0.00 C ATOM 767 OD1 ASP A 47 32.518 -5.794 10.015 1.00 0.00 O ATOM 768 OD2 ASP A 47 31.283 -4.106 10.673 1.00 0.00 O ATOM 0 H ASP A 47 33.896 -2.261 7.189 1.00 0.00 H new ATOM 0 HA ASP A 47 33.424 -5.091 7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 47 33.990 -3.585 9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 47 32.530 -2.659 9.111 1.00 0.00 H new ATOM 773 N LYS A 48 31.106 -3.243 6.228 1.00 0.00 N ATOM 774 CA LYS A 48 29.760 -3.230 5.635 1.00 0.00 C ATOM 775 C LYS A 48 28.683 -3.075 6.740 1.00 0.00 C ATOM 776 O LYS A 48 29.018 -2.969 7.919 1.00 0.00 O ATOM 777 CB LYS A 48 29.519 -4.515 4.796 1.00 0.00 C ATOM 778 CG LYS A 48 30.375 -4.618 3.538 1.00 0.00 C ATOM 779 CD LYS A 48 30.070 -3.491 2.560 1.00 0.00 C ATOM 780 CE LYS A 48 30.776 -3.703 1.226 1.00 0.00 C ATOM 781 NZ LYS A 48 32.246 -3.822 1.384 1.00 0.00 N ATOM 0 H LYS A 48 31.676 -2.436 5.975 1.00 0.00 H new ATOM 0 HA LYS A 48 29.684 -2.373 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.712 -5.385 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.468 -4.555 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 48 31.430 -4.588 3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.198 -5.579 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.994 -3.430 2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.382 -2.540 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.389 -4.605 0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.550 -2.870 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.718 -3.449 0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 32.551 -3.279 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.502 -4.822 1.511 1.00 0.00 H new ATOM 795 N LEU A 49 27.401 -3.021 6.363 1.00 0.00 N ATOM 796 CA LEU A 49 26.340 -2.947 7.358 1.00 0.00 C ATOM 797 C LEU A 49 25.918 -4.347 7.756 1.00 0.00 C ATOM 798 O LEU A 49 25.402 -4.575 8.852 1.00 0.00 O ATOM 799 CB LEU A 49 25.130 -2.166 6.828 1.00 0.00 C ATOM 800 CG LEU A 49 23.954 -2.047 7.794 1.00 0.00 C ATOM 801 CD1 LEU A 49 24.362 -1.291 9.049 1.00 0.00 C ATOM 802 CD2 LEU A 49 22.772 -1.376 7.114 1.00 0.00 C ATOM 0 H LEU A 49 27.082 -3.027 5.394 1.00 0.00 H new ATOM 0 HA LEU A 49 26.725 -2.417 8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 49 25.457 -1.163 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 49 24.781 -2.647 5.914 1.00 0.00 H new ATOM 0 HG LEU A 49 23.650 -3.051 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 49 23.509 -1.218 9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 49 25.173 -1.823 9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 49 24.697 -0.290 8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 49 21.943 -1.300 7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 49 23.061 -0.378 6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 49 22.464 -1.968 6.253 1.00 0.00 H new ATOM 814 N ALA A 50 26.149 -5.282 6.859 1.00 0.00 N ATOM 815 CA ALA A 50 25.808 -6.659 7.084 1.00 0.00 C ATOM 816 C ALA A 50 26.760 -7.560 6.328 1.00 0.00 C ATOM 817 O ALA A 50 27.184 -7.236 5.212 1.00 0.00 O ATOM 818 CB ALA A 50 24.372 -6.927 6.663 1.00 0.00 C ATOM 0 H ALA A 50 26.580 -5.102 5.952 1.00 0.00 H new ATOM 0 HA ALA A 50 25.897 -6.872 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.130 -7.975 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 50 23.699 -6.296 7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.256 -6.702 5.603 1.00 0.00 H new ATOM 824 N ASP A 51 27.087 -8.687 6.926 1.00 0.00 N ATOM 825 CA ASP A 51 28.002 -9.661 6.331 1.00 0.00 C ATOM 826 C ASP A 51 27.294 -10.465 5.227 1.00 0.00 C ATOM 827 O ASP A 51 27.877 -11.354 4.599 1.00 0.00 O ATOM 828 CB ASP A 51 28.536 -10.590 7.437 1.00 0.00 C ATOM 829 CG ASP A 51 29.506 -11.645 6.943 1.00 0.00 C ATOM 830 OD1 ASP A 51 29.140 -12.837 6.944 1.00 0.00 O ATOM 831 OD2 ASP A 51 30.646 -11.293 6.565 1.00 0.00 O ATOM 0 H ASP A 51 26.729 -8.961 7.841 1.00 0.00 H new ATOM 0 HA ASP A 51 28.840 -9.139 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 51 29.030 -9.985 8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 51 27.693 -11.084 7.920 1.00 0.00 H new ATOM 836 N TYR A 52 26.047 -10.119 4.978 1.00 0.00 N ATOM 837 CA TYR A 52 25.245 -10.784 3.980 1.00 0.00 C ATOM 838 C TYR A 52 24.723 -9.759 2.989 1.00 0.00 C ATOM 839 O TYR A 52 25.375 -9.557 1.946 1.00 0.00 O ATOM 840 CB TYR A 52 24.078 -11.525 4.639 1.00 0.00 C ATOM 841 CG TYR A 52 24.505 -12.534 5.682 1.00 0.00 C ATOM 842 CD1 TYR A 52 24.681 -12.158 7.008 1.00 0.00 C ATOM 843 CD2 TYR A 52 24.732 -13.859 5.343 1.00 0.00 C ATOM 844 CE1 TYR A 52 25.071 -13.071 7.963 1.00 0.00 C ATOM 845 CE2 TYR A 52 25.123 -14.782 6.293 1.00 0.00 C ATOM 846 CZ TYR A 52 25.290 -14.382 7.601 1.00 0.00 C ATOM 847 OH TYR A 52 25.674 -15.298 8.556 1.00 0.00 O ATOM 848 OXT TYR A 52 23.688 -9.119 3.279 1.00 0.00 O ATOM 0 H TYR A 52 25.563 -9.365 5.466 1.00 0.00 H new ATOM 0 HA TYR A 52 25.861 -11.514 3.455 1.00 0.00 H new ATOM 0 HB2 TYR A 52 23.413 -10.796 5.103 1.00 0.00 H new ATOM 0 HB3 TYR A 52 23.502 -12.036 3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 52 24.509 -11.131 7.295 1.00 0.00 H new ATOM 0 HD2 TYR A 52 24.601 -14.175 4.319 1.00 0.00 H new ATOM 0 HE1 TYR A 52 25.204 -12.761 8.989 1.00 0.00 H new ATOM 0 HE2 TYR A 52 25.297 -15.810 6.013 1.00 0.00 H new ATOM 0 HH TYR A 52 25.786 -16.178 8.139 1.00 0.00 H new TER 858 TYR A 52