USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 GLN : amide:sc= -0.0265 K(o=-0.051,f=0.62) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= -0.025 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.224 K(o=-0.18,f=-7.8!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 22:sc= 0.17 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 173:sc= 0.236 USER MOD Single : A 10 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 15 THR OG1 : rot 69:sc= 1.19 USER MOD Single : A 16 CYS SG : rot -150:sc= -1.1 USER MOD Single : A 22 THR OG1 : rot -20:sc= 0.608 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 27 SER OG : rot 83:sc= 0.593 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= -0.0445 (180deg=-0.128) USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= 0.581 (180deg=-0.18) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 69:sc= 1.17 USER MOD Single : A 62 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.55) USER MOD Single : A 65 ASN : amide:sc= 0.902 K(o=0.9,f=-0.53) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -135:sc= -0.0863 (180deg=-1.23!) USER MOD Single : A 79 ASN : amide:sc= -1.57 K(o=-1.6,f=-5!) USER MOD Single : A 91 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.16) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.017) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 102 PNS O33 : rot 150:sc= -0.134 USER MOD Single : A 102 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.234 1.684 -1.604 1.00 0.00 N ATOM 2 CA MET A 1 -17.639 3.111 -1.651 1.00 0.00 C ATOM 3 C MET A 1 -16.383 3.979 -1.825 1.00 0.00 C ATOM 4 O MET A 1 -16.265 4.747 -2.785 1.00 0.00 O ATOM 5 CB MET A 1 -18.417 3.500 -0.364 1.00 0.00 C ATOM 6 CG MET A 1 -18.862 4.969 -0.309 1.00 0.00 C ATOM 7 SD MET A 1 -19.885 5.433 -1.720 1.00 0.00 S ATOM 8 CE MET A 1 -20.196 7.165 -1.410 1.00 0.00 C ATOM 0 H1 MET A 1 -18.078 1.087 -1.486 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.752 1.431 -2.490 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.588 1.533 -0.803 1.00 0.00 H new ATOM 0 HA MET A 1 -18.306 3.277 -2.497 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.298 2.863 -0.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.789 3.291 0.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.418 5.143 0.612 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.982 5.611 -0.275 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.817 7.572 -2.208 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.712 7.277 -0.456 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.249 7.704 -1.376 1.00 0.00 H new ATOM 20 N THR A 2 -15.446 3.840 -0.872 1.00 0.00 N ATOM 21 CA THR A 2 -14.127 4.476 -0.934 1.00 0.00 C ATOM 22 C THR A 2 -13.091 3.459 -1.444 1.00 0.00 C ATOM 23 O THR A 2 -12.950 2.370 -0.875 1.00 0.00 O ATOM 24 CB THR A 2 -13.719 5.028 0.478 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.700 3.964 1.445 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.699 6.122 0.957 1.00 0.00 C ATOM 0 H THR A 2 -15.587 3.278 -0.032 1.00 0.00 H new ATOM 0 HA THR A 2 -14.165 5.318 -1.625 1.00 0.00 H new ATOM 0 HB THR A 2 -12.723 5.461 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.598 3.105 0.984 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.389 6.484 1.937 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.696 6.949 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.704 5.706 1.025 1.00 0.00 H new ATOM 34 N SER A 3 -12.405 3.802 -2.543 1.00 0.00 N ATOM 35 CA SER A 3 -11.329 2.969 -3.106 1.00 0.00 C ATOM 36 C SER A 3 -10.067 3.047 -2.220 1.00 0.00 C ATOM 37 O SER A 3 -10.036 3.800 -1.229 1.00 0.00 O ATOM 38 CB SER A 3 -11.031 3.421 -4.562 1.00 0.00 C ATOM 39 OG SER A 3 -12.228 3.491 -5.324 1.00 0.00 O ATOM 0 H SER A 3 -12.578 4.660 -3.066 1.00 0.00 H new ATOM 0 HA SER A 3 -11.649 1.927 -3.128 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.543 4.396 -4.552 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.337 2.722 -5.030 1.00 0.00 H new ATOM 0 HG SER A 3 -12.018 3.779 -6.237 1.00 0.00 H new ATOM 45 N THR A 4 -9.030 2.273 -2.580 1.00 0.00 N ATOM 46 CA THR A 4 -7.739 2.306 -1.879 1.00 0.00 C ATOM 47 C THR A 4 -7.131 3.719 -1.979 1.00 0.00 C ATOM 48 O THR A 4 -6.652 4.246 -0.989 1.00 0.00 O ATOM 49 CB THR A 4 -6.747 1.245 -2.457 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.402 -0.030 -2.529 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.470 1.119 -1.601 1.00 0.00 C ATOM 0 H THR A 4 -9.063 1.614 -3.357 1.00 0.00 H new ATOM 0 HA THR A 4 -7.912 2.058 -0.832 1.00 0.00 H new ATOM 0 HB THR A 4 -6.448 1.576 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.820 -0.671 -2.988 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.810 0.371 -2.040 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.958 2.080 -1.568 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.739 0.816 -0.589 1.00 0.00 H new ATOM 59 N PHE A 5 -7.241 4.344 -3.177 1.00 0.00 N ATOM 60 CA PHE A 5 -6.775 5.729 -3.410 1.00 0.00 C ATOM 61 C PHE A 5 -7.513 6.731 -2.493 1.00 0.00 C ATOM 62 O PHE A 5 -6.887 7.651 -1.979 1.00 0.00 O ATOM 63 CB PHE A 5 -6.929 6.154 -4.905 1.00 0.00 C ATOM 64 CG PHE A 5 -6.638 7.651 -5.139 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.369 8.180 -4.881 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.642 8.536 -5.549 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.124 9.531 -5.020 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.387 9.887 -5.699 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.129 10.383 -5.427 1.00 0.00 C ATOM 0 H PHE A 5 -7.652 3.905 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.713 5.748 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.253 5.558 -5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.942 5.930 -5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.571 7.523 -4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.633 8.157 -5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.140 9.923 -4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.171 10.552 -6.028 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.931 11.439 -5.533 1.00 0.00 H new ATOM 79 N ASP A 6 -8.838 6.549 -2.311 1.00 0.00 N ATOM 80 CA ASP A 6 -9.659 7.435 -1.442 1.00 0.00 C ATOM 81 C ASP A 6 -9.096 7.460 -0.023 1.00 0.00 C ATOM 82 O ASP A 6 -8.880 8.532 0.547 1.00 0.00 O ATOM 83 CB ASP A 6 -11.139 6.979 -1.399 1.00 0.00 C ATOM 84 CG ASP A 6 -11.876 7.208 -2.724 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.584 6.501 -3.703 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.748 8.101 -2.796 1.00 0.00 O ATOM 0 H ASP A 6 -9.367 5.797 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.619 8.437 -1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.180 5.920 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.656 7.517 -0.604 1.00 0.00 H new ATOM 91 N ARG A 7 -8.818 6.255 0.495 1.00 0.00 N ATOM 92 CA ARG A 7 -8.274 6.054 1.847 1.00 0.00 C ATOM 93 C ARG A 7 -6.868 6.656 1.976 1.00 0.00 C ATOM 94 O ARG A 7 -6.646 7.481 2.849 1.00 0.00 O ATOM 95 CB ARG A 7 -8.284 4.542 2.211 1.00 0.00 C ATOM 96 CG ARG A 7 -9.699 3.911 2.279 1.00 0.00 C ATOM 97 CD ARG A 7 -10.497 4.286 3.559 1.00 0.00 C ATOM 98 NE ARG A 7 -10.764 5.735 3.697 1.00 0.00 N ATOM 99 CZ ARG A 7 -10.510 6.490 4.792 1.00 0.00 C ATOM 100 NH1 ARG A 7 -9.934 5.967 5.868 1.00 0.00 N ATOM 101 NH2 ARG A 7 -10.832 7.769 4.791 1.00 0.00 N ATOM 0 H ARG A 7 -8.965 5.385 -0.016 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.913 6.578 2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.692 3.999 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.793 4.409 3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.268 4.224 1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.605 2.826 2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.446 3.751 3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.944 3.944 4.433 1.00 0.00 H new ATOM 0 HE ARG A 7 -11.177 6.208 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.675 4.981 5.879 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.751 6.552 6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.270 8.184 3.969 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.643 8.343 5.613 1.00 0.00 H new ATOM 115 N VAL A 8 -5.964 6.269 1.054 1.00 0.00 N ATOM 116 CA VAL A 8 -4.562 6.759 0.990 1.00 0.00 C ATOM 117 C VAL A 8 -4.507 8.302 0.964 1.00 0.00 C ATOM 118 O VAL A 8 -3.787 8.917 1.751 1.00 0.00 O ATOM 119 CB VAL A 8 -3.817 6.158 -0.272 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.424 6.805 -0.496 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.698 4.613 -0.156 1.00 0.00 C ATOM 0 H VAL A 8 -6.185 5.597 0.319 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.051 6.420 1.891 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.423 6.396 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.953 6.360 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.542 7.877 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.798 6.633 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.183 4.221 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.133 4.358 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.694 4.175 -0.094 1.00 0.00 H new ATOM 131 N ALA A 9 -5.334 8.889 0.088 1.00 0.00 N ATOM 132 CA ALA A 9 -5.445 10.348 -0.112 1.00 0.00 C ATOM 133 C ALA A 9 -5.847 11.052 1.187 1.00 0.00 C ATOM 134 O ALA A 9 -5.247 12.063 1.568 1.00 0.00 O ATOM 135 CB ALA A 9 -6.466 10.663 -1.219 1.00 0.00 C ATOM 0 H ALA A 9 -5.959 8.355 -0.516 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.466 10.720 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.535 11.742 -1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.145 10.201 -2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.442 10.269 -0.936 1.00 0.00 H new ATOM 141 N THR A 10 -6.859 10.483 1.870 1.00 0.00 N ATOM 142 CA THR A 10 -7.364 11.014 3.146 1.00 0.00 C ATOM 143 C THR A 10 -6.278 10.943 4.237 1.00 0.00 C ATOM 144 O THR A 10 -6.123 11.877 5.008 1.00 0.00 O ATOM 145 CB THR A 10 -8.660 10.270 3.615 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.652 10.308 2.574 1.00 0.00 O ATOM 147 CG2 THR A 10 -9.269 10.886 4.893 1.00 0.00 C ATOM 0 H THR A 10 -7.346 9.645 1.552 1.00 0.00 H new ATOM 0 HA THR A 10 -7.625 12.059 2.980 1.00 0.00 H new ATOM 0 HB THR A 10 -8.368 9.244 3.838 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.396 9.693 1.855 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.165 10.332 5.173 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.542 10.835 5.704 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.531 11.927 4.706 1.00 0.00 H new ATOM 155 N ILE A 11 -5.513 9.835 4.268 1.00 0.00 N ATOM 156 CA ILE A 11 -4.414 9.646 5.236 1.00 0.00 C ATOM 157 C ILE A 11 -3.294 10.686 5.021 1.00 0.00 C ATOM 158 O ILE A 11 -2.787 11.249 5.993 1.00 0.00 O ATOM 159 CB ILE A 11 -3.827 8.188 5.154 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.939 7.131 5.430 1.00 0.00 C ATOM 161 CG2 ILE A 11 -2.643 8.001 6.130 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.562 5.697 5.077 1.00 0.00 C ATOM 0 H ILE A 11 -5.637 9.051 3.628 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.831 9.793 6.232 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.450 8.038 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.205 7.172 6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.830 7.407 4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.261 6.983 6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.851 8.707 5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.981 8.181 7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.398 5.035 5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.327 5.634 4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.692 5.396 5.660 1.00 0.00 H new ATOM 174 N ILE A 12 -2.942 10.971 3.750 1.00 0.00 N ATOM 175 CA ILE A 12 -1.901 11.976 3.411 1.00 0.00 C ATOM 176 C ILE A 12 -2.373 13.375 3.860 1.00 0.00 C ATOM 177 O ILE A 12 -1.588 14.173 4.399 1.00 0.00 O ATOM 178 CB ILE A 12 -1.585 11.979 1.860 1.00 0.00 C ATOM 179 CG1 ILE A 12 -1.120 10.562 1.387 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.535 13.061 1.483 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.912 10.418 -0.112 1.00 0.00 C ATOM 0 H ILE A 12 -3.362 10.521 2.937 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.983 11.712 3.936 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.509 12.232 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.186 10.316 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.860 9.828 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.348 13.028 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.914 14.046 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.394 12.869 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.591 9.401 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.847 10.627 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.148 11.122 -0.443 1.00 0.00 H new ATOM 193 N ALA A 13 -3.670 13.628 3.634 1.00 0.00 N ATOM 194 CA ALA A 13 -4.366 14.839 4.088 1.00 0.00 C ATOM 195 C ALA A 13 -4.288 15.020 5.617 1.00 0.00 C ATOM 196 O ALA A 13 -3.997 16.110 6.098 1.00 0.00 O ATOM 197 CB ALA A 13 -5.831 14.791 3.631 1.00 0.00 C ATOM 0 H ALA A 13 -4.274 12.986 3.122 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.866 15.698 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.347 15.690 3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.871 14.736 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.316 13.913 4.057 1.00 0.00 H new ATOM 203 N GLU A 14 -4.550 13.936 6.371 1.00 0.00 N ATOM 204 CA GLU A 14 -4.516 13.956 7.851 1.00 0.00 C ATOM 205 C GLU A 14 -3.071 14.051 8.382 1.00 0.00 C ATOM 206 O GLU A 14 -2.856 14.530 9.501 1.00 0.00 O ATOM 207 CB GLU A 14 -5.214 12.692 8.427 1.00 0.00 C ATOM 208 CG GLU A 14 -6.699 12.520 8.036 1.00 0.00 C ATOM 209 CD GLU A 14 -7.628 13.642 8.546 1.00 0.00 C ATOM 210 OE1 GLU A 14 -8.153 13.528 9.674 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.856 14.628 7.818 1.00 0.00 O ATOM 0 H GLU A 14 -4.790 13.026 5.978 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.055 14.844 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.664 11.811 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.143 12.722 9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.772 12.470 6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.056 11.566 8.424 1.00 0.00 H new ATOM 218 N THR A 15 -2.088 13.572 7.594 1.00 0.00 N ATOM 219 CA THR A 15 -0.670 13.586 7.996 1.00 0.00 C ATOM 220 C THR A 15 -0.076 15.006 7.888 1.00 0.00 C ATOM 221 O THR A 15 0.296 15.593 8.906 1.00 0.00 O ATOM 222 CB THR A 15 0.187 12.573 7.154 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.371 11.252 7.260 1.00 0.00 O ATOM 224 CG2 THR A 15 1.656 12.532 7.623 1.00 0.00 C ATOM 0 H THR A 15 -2.253 13.169 6.672 1.00 0.00 H new ATOM 0 HA THR A 15 -0.632 13.270 9.039 1.00 0.00 H new ATOM 0 HB THR A 15 0.166 12.914 6.119 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.235 11.224 6.798 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.213 11.819 7.014 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.099 13.522 7.518 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.696 12.225 8.668 1.00 0.00 H new ATOM 232 N CYS A 16 -0.047 15.579 6.667 1.00 0.00 N ATOM 233 CA CYS A 16 0.698 16.830 6.375 1.00 0.00 C ATOM 234 C CYS A 16 -0.242 18.011 6.061 1.00 0.00 C ATOM 235 O CYS A 16 0.207 19.020 5.517 1.00 0.00 O ATOM 236 CB CYS A 16 1.665 16.577 5.193 1.00 0.00 C ATOM 237 SG CYS A 16 2.869 15.274 5.520 1.00 0.00 S ATOM 0 H CYS A 16 -0.534 15.194 5.858 1.00 0.00 H new ATOM 0 HA CYS A 16 1.261 17.107 7.266 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.085 16.312 4.309 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.194 17.501 4.962 1.00 0.00 H new ATOM 0 HG CYS A 16 3.962 15.517 4.859 1.00 0.00 H new ATOM 243 N ASP A 17 -1.522 17.893 6.472 1.00 0.00 N ATOM 244 CA ASP A 17 -2.588 18.895 6.204 1.00 0.00 C ATOM 245 C ASP A 17 -2.607 19.325 4.714 1.00 0.00 C ATOM 246 O ASP A 17 -2.325 20.473 4.366 1.00 0.00 O ATOM 247 CB ASP A 17 -2.475 20.103 7.188 1.00 0.00 C ATOM 248 CG ASP A 17 -3.666 21.081 7.111 1.00 0.00 C ATOM 249 OD1 ASP A 17 -4.749 20.752 7.637 1.00 0.00 O ATOM 250 OD2 ASP A 17 -3.526 22.183 6.531 1.00 0.00 O ATOM 0 H ASP A 17 -1.854 17.090 7.007 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.554 18.426 6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.393 19.724 8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.555 20.648 6.976 1.00 0.00 H new ATOM 255 N ILE A 18 -2.857 18.342 3.840 1.00 0.00 N ATOM 256 CA ILE A 18 -2.980 18.557 2.385 1.00 0.00 C ATOM 257 C ILE A 18 -4.481 18.505 2.044 1.00 0.00 C ATOM 258 O ILE A 18 -5.153 17.600 2.532 1.00 0.00 O ATOM 259 CB ILE A 18 -2.189 17.459 1.557 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.681 17.408 1.986 1.00 0.00 C ATOM 261 CG2 ILE A 18 -2.326 17.700 0.028 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.119 18.681 1.730 1.00 0.00 C ATOM 0 H ILE A 18 -2.981 17.369 4.119 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.546 19.520 2.117 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.635 16.490 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.632 17.177 3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.199 16.585 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.773 16.932 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.378 17.657 -0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.923 18.681 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.147 18.538 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.111 18.908 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.328 19.509 2.280 1.00 0.00 H new ATOM 274 N PRO A 19 -5.056 19.476 1.255 1.00 0.00 N ATOM 275 CA PRO A 19 -6.476 19.409 0.841 1.00 0.00 C ATOM 276 C PRO A 19 -6.763 18.109 0.060 1.00 0.00 C ATOM 277 O PRO A 19 -6.237 17.914 -1.037 1.00 0.00 O ATOM 278 CB PRO A 19 -6.678 20.681 -0.028 1.00 0.00 C ATOM 279 CG PRO A 19 -5.570 21.603 0.386 1.00 0.00 C ATOM 280 CD PRO A 19 -4.401 20.701 0.727 1.00 0.00 C ATOM 0 HA PRO A 19 -7.166 19.386 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.623 20.447 -1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.655 21.131 0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.312 22.293 -0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.863 22.208 1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.791 20.485 -0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.744 21.157 1.468 1.00 0.00 H new ATOM 288 N ARG A 20 -7.561 17.205 0.666 1.00 0.00 N ATOM 289 CA ARG A 20 -7.846 15.877 0.095 1.00 0.00 C ATOM 290 C ARG A 20 -8.623 15.995 -1.225 1.00 0.00 C ATOM 291 O ARG A 20 -8.465 15.160 -2.126 1.00 0.00 O ATOM 292 CB ARG A 20 -8.576 14.976 1.136 1.00 0.00 C ATOM 293 CG ARG A 20 -8.738 13.483 0.707 1.00 0.00 C ATOM 294 CD ARG A 20 -10.066 13.178 -0.016 1.00 0.00 C ATOM 295 NE ARG A 20 -9.963 12.021 -0.923 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.982 11.273 -1.349 1.00 0.00 C ATOM 297 NH1 ARG A 20 -12.206 11.413 -0.844 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.766 10.371 -2.291 1.00 0.00 N ATOM 0 H ARG A 20 -8.022 17.376 1.560 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.899 15.392 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.026 15.012 2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.564 15.394 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.909 13.212 0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.665 12.851 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.843 12.987 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.376 14.055 -0.585 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.031 11.770 -1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.381 12.104 -0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.969 10.829 -1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.831 10.255 -2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.535 9.791 -2.628 1.00 0.00 H new ATOM 312 N GLU A 21 -9.411 17.074 -1.350 1.00 0.00 N ATOM 313 CA GLU A 21 -10.228 17.349 -2.540 1.00 0.00 C ATOM 314 C GLU A 21 -9.334 17.668 -3.756 1.00 0.00 C ATOM 315 O GLU A 21 -9.693 17.354 -4.894 1.00 0.00 O ATOM 316 CB GLU A 21 -11.194 18.524 -2.241 1.00 0.00 C ATOM 317 CG GLU A 21 -10.505 19.844 -1.840 1.00 0.00 C ATOM 318 CD GLU A 21 -11.508 20.940 -1.468 1.00 0.00 C ATOM 319 OE1 GLU A 21 -11.915 21.011 -0.289 1.00 0.00 O ATOM 320 OE2 GLU A 21 -11.925 21.707 -2.362 1.00 0.00 O ATOM 0 H GLU A 21 -9.499 17.784 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.812 16.462 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.807 18.705 -3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.869 18.225 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.841 19.661 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.883 20.190 -2.665 1.00 0.00 H new ATOM 327 N THR A 22 -8.148 18.265 -3.485 1.00 0.00 N ATOM 328 CA THR A 22 -7.185 18.671 -4.527 1.00 0.00 C ATOM 329 C THR A 22 -6.216 17.526 -4.881 1.00 0.00 C ATOM 330 O THR A 22 -5.475 17.627 -5.866 1.00 0.00 O ATOM 331 CB THR A 22 -6.353 19.926 -4.077 1.00 0.00 C ATOM 332 OG1 THR A 22 -5.534 19.619 -2.941 1.00 0.00 O ATOM 333 CG2 THR A 22 -7.252 21.124 -3.724 1.00 0.00 C ATOM 0 H THR A 22 -7.836 18.477 -2.537 1.00 0.00 H new ATOM 0 HA THR A 22 -7.771 18.925 -5.410 1.00 0.00 H new ATOM 0 HB THR A 22 -5.726 20.197 -4.927 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.880 18.818 -2.495 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.632 21.967 -3.419 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.843 21.405 -4.596 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.919 20.850 -2.907 1.00 0.00 H new ATOM 341 N ILE A 23 -6.217 16.444 -4.068 1.00 0.00 N ATOM 342 CA ILE A 23 -5.301 15.309 -4.255 1.00 0.00 C ATOM 343 C ILE A 23 -5.735 14.502 -5.496 1.00 0.00 C ATOM 344 O ILE A 23 -6.790 13.853 -5.491 1.00 0.00 O ATOM 345 CB ILE A 23 -5.258 14.396 -2.963 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.569 15.148 -1.779 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.561 13.047 -3.236 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.518 14.381 -0.463 1.00 0.00 C ATOM 0 H ILE A 23 -6.848 16.339 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.291 15.687 -4.415 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.288 14.177 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.550 15.400 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.094 16.088 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.553 12.451 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.101 12.510 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.536 13.226 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.021 14.989 0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.532 14.152 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.964 13.453 -0.604 1.00 0.00 H new ATOM 360 N THR A 24 -4.937 14.605 -6.564 1.00 0.00 N ATOM 361 CA THR A 24 -5.156 13.901 -7.827 1.00 0.00 C ATOM 362 C THR A 24 -4.365 12.580 -7.813 1.00 0.00 C ATOM 363 O THR A 24 -3.268 12.532 -7.233 1.00 0.00 O ATOM 364 CB THR A 24 -4.699 14.794 -9.030 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.323 15.161 -8.860 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.541 16.074 -9.149 1.00 0.00 C ATOM 0 H THR A 24 -4.104 15.193 -6.572 1.00 0.00 H new ATOM 0 HA THR A 24 -6.218 13.686 -7.943 1.00 0.00 H new ATOM 0 HB THR A 24 -4.834 14.210 -9.941 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.038 15.718 -9.614 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.190 16.663 -9.996 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.587 15.808 -9.301 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.444 16.660 -8.235 1.00 0.00 H new ATOM 374 N PRO A 25 -4.885 11.484 -8.447 1.00 0.00 N ATOM 375 CA PRO A 25 -4.188 10.179 -8.471 1.00 0.00 C ATOM 376 C PRO A 25 -2.878 10.226 -9.279 1.00 0.00 C ATOM 377 O PRO A 25 -1.983 9.420 -9.062 1.00 0.00 O ATOM 378 CB PRO A 25 -5.233 9.225 -9.104 1.00 0.00 C ATOM 379 CG PRO A 25 -6.107 10.117 -9.931 1.00 0.00 C ATOM 380 CD PRO A 25 -6.186 11.422 -9.175 1.00 0.00 C ATOM 0 HA PRO A 25 -3.869 9.858 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.753 8.462 -9.717 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.809 8.704 -8.339 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.687 10.265 -10.926 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.097 9.681 -10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.309 12.269 -9.849 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.032 11.437 -8.487 1.00 0.00 H new ATOM 388 N GLU A 26 -2.748 11.224 -10.168 1.00 0.00 N ATOM 389 CA GLU A 26 -1.595 11.348 -11.077 1.00 0.00 C ATOM 390 C GLU A 26 -0.585 12.382 -10.532 1.00 0.00 C ATOM 391 O GLU A 26 0.287 12.863 -11.265 1.00 0.00 O ATOM 392 CB GLU A 26 -2.101 11.709 -12.500 1.00 0.00 C ATOM 393 CG GLU A 26 -3.130 10.695 -13.049 1.00 0.00 C ATOM 394 CD GLU A 26 -3.518 10.926 -14.516 1.00 0.00 C ATOM 395 OE1 GLU A 26 -2.836 10.377 -15.412 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.506 11.640 -14.778 1.00 0.00 O ATOM 0 H GLU A 26 -3.438 11.967 -10.277 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.066 10.397 -11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.552 12.701 -12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.251 11.760 -13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.723 9.689 -12.946 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.030 10.739 -12.435 1.00 0.00 H new ATOM 403 N SER A 27 -0.713 12.696 -9.226 1.00 0.00 N ATOM 404 CA SER A 27 0.226 13.556 -8.500 1.00 0.00 C ATOM 405 C SER A 27 1.410 12.718 -7.988 1.00 0.00 C ATOM 406 O SER A 27 1.227 11.588 -7.529 1.00 0.00 O ATOM 407 CB SER A 27 -0.495 14.243 -7.325 1.00 0.00 C ATOM 408 OG SER A 27 0.383 15.080 -6.597 1.00 0.00 O ATOM 0 H SER A 27 -1.480 12.354 -8.647 1.00 0.00 H new ATOM 0 HA SER A 27 0.606 14.324 -9.173 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.331 14.832 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.913 13.487 -6.661 1.00 0.00 H new ATOM 0 HG SER A 27 0.449 15.951 -7.042 1.00 0.00 H new ATOM 414 N HIS A 28 2.617 13.279 -8.100 1.00 0.00 N ATOM 415 CA HIS A 28 3.855 12.655 -7.621 1.00 0.00 C ATOM 416 C HIS A 28 4.183 13.201 -6.218 1.00 0.00 C ATOM 417 O HIS A 28 4.328 14.408 -6.057 1.00 0.00 O ATOM 418 CB HIS A 28 4.996 12.976 -8.609 1.00 0.00 C ATOM 419 CG HIS A 28 6.205 12.100 -8.447 1.00 0.00 C ATOM 420 ND1 HIS A 28 7.098 12.273 -7.419 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.611 11.064 -9.212 1.00 0.00 C ATOM 422 CE1 HIS A 28 8.026 11.355 -7.597 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.776 10.598 -8.672 1.00 0.00 N ATOM 0 H HIS A 28 2.765 14.191 -8.531 1.00 0.00 H new ATOM 0 HA HIS A 28 3.736 11.573 -7.559 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.621 12.876 -9.627 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.293 14.017 -8.480 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.109 10.677 -10.086 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.884 11.229 -6.954 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.344 9.825 -9.020 1.00 0.00 H new ATOM 431 N ALA A 29 4.293 12.313 -5.219 1.00 0.00 N ATOM 432 CA ALA A 29 4.564 12.664 -3.808 1.00 0.00 C ATOM 433 C ALA A 29 5.823 13.530 -3.619 1.00 0.00 C ATOM 434 O ALA A 29 5.843 14.425 -2.771 1.00 0.00 O ATOM 435 CB ALA A 29 4.681 11.377 -2.975 1.00 0.00 C ATOM 0 H ALA A 29 4.195 11.309 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 29 3.724 13.269 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.881 11.634 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.748 10.817 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.497 10.767 -3.361 1.00 0.00 H new ATOM 441 N ILE A 30 6.853 13.285 -4.438 1.00 0.00 N ATOM 442 CA ILE A 30 8.160 13.950 -4.286 1.00 0.00 C ATOM 443 C ILE A 30 8.215 15.208 -5.172 1.00 0.00 C ATOM 444 O ILE A 30 8.607 16.288 -4.717 1.00 0.00 O ATOM 445 CB ILE A 30 9.338 12.969 -4.642 1.00 0.00 C ATOM 446 CG1 ILE A 30 9.327 11.725 -3.700 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.713 13.670 -4.604 1.00 0.00 C ATOM 448 CD1 ILE A 30 10.472 10.746 -3.935 1.00 0.00 C ATOM 0 H ILE A 30 6.809 12.628 -5.217 1.00 0.00 H new ATOM 0 HA ILE A 30 8.278 14.246 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 30 9.176 12.633 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.365 12.067 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.382 11.197 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.494 12.953 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.725 14.488 -5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.893 14.065 -3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.387 9.912 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.426 10.370 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.423 11.254 -3.778 1.00 0.00 H new ATOM 460 N ASP A 31 7.774 15.055 -6.427 1.00 0.00 N ATOM 461 CA ASP A 31 7.890 16.098 -7.468 1.00 0.00 C ATOM 462 C ASP A 31 6.753 17.141 -7.362 1.00 0.00 C ATOM 463 O ASP A 31 7.018 18.339 -7.236 1.00 0.00 O ATOM 464 CB ASP A 31 7.922 15.430 -8.875 1.00 0.00 C ATOM 465 CG ASP A 31 7.849 16.427 -10.050 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.824 17.181 -10.268 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.813 16.469 -10.749 1.00 0.00 O ATOM 0 H ASP A 31 7.323 14.201 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 31 8.823 16.639 -7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.837 14.845 -8.966 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.088 14.732 -8.953 1.00 0.00 H new ATOM 472 N ASP A 32 5.490 16.681 -7.389 1.00 0.00 N ATOM 473 CA ASP A 32 4.309 17.577 -7.450 1.00 0.00 C ATOM 474 C ASP A 32 3.913 18.079 -6.047 1.00 0.00 C ATOM 475 O ASP A 32 3.686 19.276 -5.850 1.00 0.00 O ATOM 476 CB ASP A 32 3.117 16.849 -8.127 1.00 0.00 C ATOM 477 CG ASP A 32 1.908 17.777 -8.344 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.885 18.516 -9.356 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.984 17.799 -7.500 1.00 0.00 O ATOM 0 H ASP A 32 5.254 15.689 -7.370 1.00 0.00 H new ATOM 0 HA ASP A 32 4.575 18.447 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.439 16.446 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.815 16.002 -7.511 1.00 0.00 H new ATOM 484 N LEU A 33 3.807 17.151 -5.076 1.00 0.00 N ATOM 485 CA LEU A 33 3.454 17.475 -3.680 1.00 0.00 C ATOM 486 C LEU A 33 4.642 18.094 -2.924 1.00 0.00 C ATOM 487 O LEU A 33 4.443 18.750 -1.902 1.00 0.00 O ATOM 488 CB LEU A 33 2.942 16.210 -2.935 1.00 0.00 C ATOM 489 CG LEU A 33 1.662 15.533 -3.521 1.00 0.00 C ATOM 490 CD1 LEU A 33 1.253 14.299 -2.680 1.00 0.00 C ATOM 491 CD2 LEU A 33 0.501 16.546 -3.666 1.00 0.00 C ATOM 0 H LEU A 33 3.964 16.156 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 33 2.654 18.215 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.744 15.472 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.742 16.481 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 33 1.899 15.179 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.359 13.846 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.065 13.572 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.046 14.609 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.373 16.041 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.255 16.960 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.802 17.351 -4.336 1.00 0.00 H new ATOM 503 N GLY A 34 5.868 17.888 -3.448 1.00 0.00 N ATOM 504 CA GLY A 34 7.080 18.452 -2.844 1.00 0.00 C ATOM 505 C GLY A 34 7.367 17.902 -1.452 1.00 0.00 C ATOM 506 O GLY A 34 7.668 18.656 -0.526 1.00 0.00 O ATOM 0 H GLY A 34 6.039 17.335 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.932 18.245 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.979 19.536 -2.786 1.00 0.00 H new ATOM 510 N ILE A 35 7.248 16.580 -1.301 1.00 0.00 N ATOM 511 CA ILE A 35 7.518 15.868 -0.034 1.00 0.00 C ATOM 512 C ILE A 35 8.670 14.890 -0.279 1.00 0.00 C ATOM 513 O ILE A 35 8.577 14.062 -1.182 1.00 0.00 O ATOM 514 CB ILE A 35 6.247 15.072 0.462 1.00 0.00 C ATOM 515 CG1 ILE A 35 5.016 16.028 0.593 1.00 0.00 C ATOM 516 CG2 ILE A 35 6.529 14.324 1.793 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.677 15.340 0.835 1.00 0.00 C ATOM 0 H ILE A 35 6.959 15.961 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 35 7.776 16.593 0.738 1.00 0.00 H new ATOM 0 HB ILE A 35 6.009 14.316 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.202 16.722 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.941 16.623 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.633 13.787 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.344 13.616 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.808 15.044 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.891 16.091 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.458 14.668 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.724 14.769 1.762 1.00 0.00 H new ATOM 529 N ASP A 36 9.747 14.982 0.519 1.00 0.00 N ATOM 530 CA ASP A 36 10.924 14.093 0.372 1.00 0.00 C ATOM 531 C ASP A 36 10.529 12.686 0.835 1.00 0.00 C ATOM 532 O ASP A 36 9.699 12.552 1.735 1.00 0.00 O ATOM 533 CB ASP A 36 12.132 14.635 1.195 1.00 0.00 C ATOM 534 CG ASP A 36 13.456 13.878 0.941 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.709 12.851 1.596 1.00 0.00 O ATOM 536 OD2 ASP A 36 14.252 14.319 0.084 1.00 0.00 O ATOM 0 H ASP A 36 9.832 15.662 1.275 1.00 0.00 H new ATOM 0 HA ASP A 36 11.235 14.060 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.277 15.689 0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.890 14.578 2.256 1.00 0.00 H new ATOM 541 N SER A 37 11.125 11.659 0.220 1.00 0.00 N ATOM 542 CA SER A 37 10.785 10.251 0.487 1.00 0.00 C ATOM 543 C SER A 37 10.997 9.864 1.965 1.00 0.00 C ATOM 544 O SER A 37 10.265 9.026 2.492 1.00 0.00 O ATOM 545 CB SER A 37 11.629 9.350 -0.409 1.00 0.00 C ATOM 546 OG SER A 37 13.019 9.706 -0.298 1.00 0.00 O ATOM 0 H SER A 37 11.859 11.777 -0.479 1.00 0.00 H new ATOM 0 HA SER A 37 9.725 10.119 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.489 8.307 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.303 9.445 -1.445 1.00 0.00 H new ATOM 551 N LEU A 38 11.993 10.497 2.612 1.00 0.00 N ATOM 552 CA LEU A 38 12.330 10.243 4.025 1.00 0.00 C ATOM 553 C LEU A 38 11.275 10.861 4.966 1.00 0.00 C ATOM 554 O LEU A 38 11.042 10.351 6.072 1.00 0.00 O ATOM 555 CB LEU A 38 13.751 10.768 4.329 1.00 0.00 C ATOM 556 CG LEU A 38 14.886 10.196 3.414 1.00 0.00 C ATOM 557 CD1 LEU A 38 16.273 10.678 3.874 1.00 0.00 C ATOM 558 CD2 LEU A 38 14.816 8.652 3.312 1.00 0.00 C ATOM 0 H LEU A 38 12.587 11.199 2.170 1.00 0.00 H new ATOM 0 HA LEU A 38 12.321 9.168 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.746 11.854 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.992 10.536 5.366 1.00 0.00 H new ATOM 0 HG LEU A 38 14.724 10.587 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.038 10.263 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.312 11.767 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 38 16.453 10.346 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.619 8.293 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.924 8.216 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.855 8.358 2.890 1.00 0.00 H new ATOM 570 N ASP A 39 10.638 11.955 4.505 1.00 0.00 N ATOM 571 CA ASP A 39 9.455 12.550 5.173 1.00 0.00 C ATOM 572 C ASP A 39 8.195 11.738 4.838 1.00 0.00 C ATOM 573 O ASP A 39 7.269 11.634 5.653 1.00 0.00 O ATOM 574 CB ASP A 39 9.255 14.032 4.742 1.00 0.00 C ATOM 575 CG ASP A 39 10.395 14.953 5.208 1.00 0.00 C ATOM 576 OD1 ASP A 39 10.350 15.437 6.361 1.00 0.00 O ATOM 577 OD2 ASP A 39 11.337 15.196 4.429 1.00 0.00 O ATOM 0 H ASP A 39 10.925 12.453 3.662 1.00 0.00 H new ATOM 0 HA ASP A 39 9.627 12.524 6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.177 14.081 3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.311 14.398 5.147 1.00 0.00 H new ATOM 582 N PHE A 40 8.192 11.143 3.633 1.00 0.00 N ATOM 583 CA PHE A 40 7.064 10.357 3.112 1.00 0.00 C ATOM 584 C PHE A 40 6.990 8.978 3.816 1.00 0.00 C ATOM 585 O PHE A 40 5.949 8.325 3.789 1.00 0.00 O ATOM 586 CB PHE A 40 7.185 10.206 1.564 1.00 0.00 C ATOM 587 CG PHE A 40 5.929 9.651 0.898 1.00 0.00 C ATOM 588 CD1 PHE A 40 4.793 10.447 0.780 1.00 0.00 C ATOM 589 CD2 PHE A 40 5.875 8.347 0.412 1.00 0.00 C ATOM 590 CE1 PHE A 40 3.644 9.962 0.204 1.00 0.00 C ATOM 591 CE2 PHE A 40 4.723 7.860 -0.171 1.00 0.00 C ATOM 592 CZ PHE A 40 3.610 8.672 -0.275 1.00 0.00 C ATOM 0 H PHE A 40 8.981 11.196 2.988 1.00 0.00 H new ATOM 0 HA PHE A 40 6.134 10.884 3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.415 11.179 1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.025 9.550 1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.815 11.462 1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.744 7.710 0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.770 10.591 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.691 6.847 -0.545 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.709 8.293 -0.734 1.00 0.00 H new ATOM 602 N LEU A 41 8.116 8.552 4.441 1.00 0.00 N ATOM 603 CA LEU A 41 8.159 7.349 5.311 1.00 0.00 C ATOM 604 C LEU A 41 7.153 7.486 6.479 1.00 0.00 C ATOM 605 O LEU A 41 6.520 6.507 6.872 1.00 0.00 O ATOM 606 CB LEU A 41 9.591 7.115 5.880 1.00 0.00 C ATOM 607 CG LEU A 41 10.728 6.851 4.845 1.00 0.00 C ATOM 608 CD1 LEU A 41 12.094 6.638 5.543 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.382 5.670 3.916 1.00 0.00 C ATOM 0 H LEU A 41 9.014 9.029 4.357 1.00 0.00 H new ATOM 0 HA LEU A 41 7.884 6.490 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.867 7.987 6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.550 6.266 6.563 1.00 0.00 H new ATOM 0 HG LEU A 41 10.814 7.742 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.862 6.457 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.351 7.528 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.031 5.780 6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.196 5.514 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.241 4.768 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.464 5.892 3.371 1.00 0.00 H new ATOM 621 N ASP A 42 7.016 8.729 7.001 1.00 0.00 N ATOM 622 CA ASP A 42 6.076 9.064 8.099 1.00 0.00 C ATOM 623 C ASP A 42 4.614 8.991 7.611 1.00 0.00 C ATOM 624 O ASP A 42 3.720 8.512 8.328 1.00 0.00 O ATOM 625 CB ASP A 42 6.388 10.481 8.654 1.00 0.00 C ATOM 626 CG ASP A 42 5.565 10.824 9.910 1.00 0.00 C ATOM 627 OD1 ASP A 42 6.005 10.487 11.033 1.00 0.00 O ATOM 628 OD2 ASP A 42 4.472 11.413 9.782 1.00 0.00 O ATOM 0 H ASP A 42 7.556 9.530 6.672 1.00 0.00 H new ATOM 0 HA ASP A 42 6.205 8.334 8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.450 10.548 8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.187 11.222 7.880 1.00 0.00 H new ATOM 633 N ILE A 43 4.388 9.474 6.382 1.00 0.00 N ATOM 634 CA ILE A 43 3.061 9.460 5.737 1.00 0.00 C ATOM 635 C ILE A 43 2.610 8.009 5.498 1.00 0.00 C ATOM 636 O ILE A 43 1.473 7.631 5.805 1.00 0.00 O ATOM 637 CB ILE A 43 3.082 10.256 4.378 1.00 0.00 C ATOM 638 CG1 ILE A 43 3.577 11.721 4.618 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.701 10.231 3.686 1.00 0.00 C ATOM 640 CD1 ILE A 43 3.568 12.619 3.395 1.00 0.00 C ATOM 0 H ILE A 43 5.119 9.887 5.803 1.00 0.00 H new ATOM 0 HA ILE A 43 2.351 9.951 6.403 1.00 0.00 H new ATOM 0 HB ILE A 43 3.783 9.764 3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.953 12.176 5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.592 11.683 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.752 10.790 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.417 9.200 3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.958 10.686 4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.928 13.611 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.217 12.196 2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.552 12.696 3.008 1.00 0.00 H new ATOM 652 N ALA A 44 3.557 7.194 5.015 1.00 0.00 N ATOM 653 CA ALA A 44 3.337 5.776 4.705 1.00 0.00 C ATOM 654 C ALA A 44 3.286 4.927 5.992 1.00 0.00 C ATOM 655 O ALA A 44 2.813 3.806 5.957 1.00 0.00 O ATOM 656 CB ALA A 44 4.439 5.272 3.772 1.00 0.00 C ATOM 0 H ALA A 44 4.510 7.506 4.826 1.00 0.00 H new ATOM 0 HA ALA A 44 2.374 5.677 4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.271 4.219 3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.425 5.849 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.408 5.388 4.257 1.00 0.00 H new ATOM 662 N PHE A 45 3.837 5.471 7.093 1.00 0.00 N ATOM 663 CA PHE A 45 3.781 4.864 8.452 1.00 0.00 C ATOM 664 C PHE A 45 2.327 4.879 8.972 1.00 0.00 C ATOM 665 O PHE A 45 1.861 3.931 9.631 1.00 0.00 O ATOM 666 CB PHE A 45 4.720 5.671 9.416 1.00 0.00 C ATOM 667 CG PHE A 45 5.562 4.836 10.369 1.00 0.00 C ATOM 668 CD1 PHE A 45 6.752 4.259 9.932 1.00 0.00 C ATOM 669 CD2 PHE A 45 5.188 4.651 11.697 1.00 0.00 C ATOM 670 CE1 PHE A 45 7.539 3.524 10.788 1.00 0.00 C ATOM 671 CE2 PHE A 45 5.978 3.916 12.557 1.00 0.00 C ATOM 672 CZ PHE A 45 7.153 3.350 12.102 1.00 0.00 C ATOM 0 H PHE A 45 4.342 6.357 7.072 1.00 0.00 H new ATOM 0 HA PHE A 45 4.120 3.829 8.409 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.389 6.285 8.812 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.106 6.353 10.005 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.061 4.391 8.906 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.269 5.088 12.058 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.459 3.083 10.432 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.678 3.783 13.586 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.770 2.772 12.774 1.00 0.00 H new ATOM 682 N ALA A 46 1.626 5.989 8.662 1.00 0.00 N ATOM 683 CA ALA A 46 0.198 6.155 8.983 1.00 0.00 C ATOM 684 C ALA A 46 -0.672 5.222 8.104 1.00 0.00 C ATOM 685 O ALA A 46 -1.636 4.615 8.593 1.00 0.00 O ATOM 686 CB ALA A 46 -0.217 7.623 8.816 1.00 0.00 C ATOM 0 H ALA A 46 2.035 6.792 8.184 1.00 0.00 H new ATOM 0 HA ALA A 46 0.038 5.874 10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.275 7.732 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.374 8.247 9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.045 7.935 7.786 1.00 0.00 H new ATOM 692 N ILE A 47 -0.300 5.117 6.809 1.00 0.00 N ATOM 693 CA ILE A 47 -0.958 4.204 5.836 1.00 0.00 C ATOM 694 C ILE A 47 -0.714 2.723 6.219 1.00 0.00 C ATOM 695 O ILE A 47 -1.595 1.863 6.050 1.00 0.00 O ATOM 696 CB ILE A 47 -0.441 4.466 4.361 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.640 5.960 3.944 1.00 0.00 C ATOM 698 CG2 ILE A 47 -1.132 3.526 3.350 1.00 0.00 C ATOM 699 CD1 ILE A 47 -0.066 6.343 2.582 1.00 0.00 C ATOM 0 H ILE A 47 0.463 5.660 6.405 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.028 4.409 5.870 1.00 0.00 H new ATOM 0 HB ILE A 47 0.628 4.251 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.708 6.180 3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.183 6.595 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.756 3.730 2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.920 2.490 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.209 3.693 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.258 7.399 2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.009 6.163 2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.539 5.741 1.806 1.00 0.00 H new ATOM 711 N ASP A 48 0.484 2.469 6.763 1.00 0.00 N ATOM 712 CA ASP A 48 0.956 1.140 7.212 1.00 0.00 C ATOM 713 C ASP A 48 -0.023 0.554 8.246 1.00 0.00 C ATOM 714 O ASP A 48 -0.539 -0.560 8.079 1.00 0.00 O ATOM 715 CB ASP A 48 2.373 1.328 7.826 1.00 0.00 C ATOM 716 CG ASP A 48 3.150 0.040 8.140 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.831 -0.635 9.147 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.115 -0.266 7.415 1.00 0.00 O ATOM 0 H ASP A 48 1.178 3.202 6.910 1.00 0.00 H new ATOM 0 HA ASP A 48 1.004 0.441 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.968 1.929 7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.274 1.902 8.747 1.00 0.00 H new ATOM 723 N LYS A 49 -0.283 1.353 9.297 1.00 0.00 N ATOM 724 CA LYS A 49 -1.247 1.009 10.362 1.00 0.00 C ATOM 725 C LYS A 49 -2.671 0.826 9.804 1.00 0.00 C ATOM 726 O LYS A 49 -3.349 -0.151 10.132 1.00 0.00 O ATOM 727 CB LYS A 49 -1.261 2.112 11.446 1.00 0.00 C ATOM 728 CG LYS A 49 0.061 2.273 12.210 1.00 0.00 C ATOM 729 CD LYS A 49 -0.011 3.401 13.265 1.00 0.00 C ATOM 730 CE LYS A 49 1.275 3.520 14.093 1.00 0.00 C ATOM 731 NZ LYS A 49 2.468 3.744 13.238 1.00 0.00 N ATOM 0 H LYS A 49 0.169 2.257 9.433 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.926 0.063 10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.512 3.063 10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.054 1.891 12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.312 1.333 12.701 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.863 2.488 11.504 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.205 4.350 12.764 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.852 3.215 13.933 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.176 4.344 14.800 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.414 2.612 14.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.295 3.937 13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.648 2.896 12.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.299 4.557 12.612 1.00 0.00 H new ATOM 745 N ALA A 50 -3.088 1.778 8.944 1.00 0.00 N ATOM 746 CA ALA A 50 -4.471 1.863 8.420 1.00 0.00 C ATOM 747 C ALA A 50 -4.900 0.580 7.678 1.00 0.00 C ATOM 748 O ALA A 50 -5.981 0.038 7.931 1.00 0.00 O ATOM 749 CB ALA A 50 -4.613 3.088 7.504 1.00 0.00 C ATOM 0 H ALA A 50 -2.475 2.513 8.591 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.137 1.971 9.276 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.633 3.142 7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.388 3.993 8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.919 3.000 6.668 1.00 0.00 H new ATOM 755 N PHE A 51 -4.027 0.097 6.775 1.00 0.00 N ATOM 756 CA PHE A 51 -4.288 -1.108 5.966 1.00 0.00 C ATOM 757 C PHE A 51 -3.713 -2.381 6.635 1.00 0.00 C ATOM 758 O PHE A 51 -3.824 -3.468 6.067 1.00 0.00 O ATOM 759 CB PHE A 51 -3.710 -0.919 4.541 1.00 0.00 C ATOM 760 CG PHE A 51 -4.447 0.115 3.689 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.132 1.473 3.759 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.452 -0.279 2.803 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.797 2.395 2.971 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.108 0.642 2.016 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.784 1.980 2.098 1.00 0.00 C ATOM 0 H PHE A 51 -3.123 0.530 6.586 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.367 -1.245 5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.664 -0.624 4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.731 -1.878 4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.360 1.808 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.719 -1.323 2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.544 3.443 3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.878 0.315 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.300 2.701 1.482 1.00 0.00 H new ATOM 775 N GLY A 52 -3.099 -2.222 7.836 1.00 0.00 N ATOM 776 CA GLY A 52 -2.578 -3.350 8.630 1.00 0.00 C ATOM 777 C GLY A 52 -1.532 -4.191 7.899 1.00 0.00 C ATOM 778 O GLY A 52 -1.434 -5.407 8.104 1.00 0.00 O ATOM 0 H GLY A 52 -2.955 -1.312 8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.140 -2.962 9.550 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.409 -3.993 8.919 1.00 0.00 H new ATOM 782 N ILE A 53 -0.750 -3.524 7.039 1.00 0.00 N ATOM 783 CA ILE A 53 0.295 -4.147 6.215 1.00 0.00 C ATOM 784 C ILE A 53 1.594 -3.357 6.382 1.00 0.00 C ATOM 785 O ILE A 53 1.559 -2.132 6.517 1.00 0.00 O ATOM 786 CB ILE A 53 -0.136 -4.230 4.680 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.769 -2.881 4.148 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.098 -5.418 4.444 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.202 -1.869 3.571 1.00 0.00 C ATOM 0 H ILE A 53 -0.828 -2.517 6.894 1.00 0.00 H new ATOM 0 HA ILE A 53 0.447 -5.173 6.551 1.00 0.00 H new ATOM 0 HB ILE A 53 0.776 -4.396 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.504 -3.126 3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.309 -2.409 4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.379 -5.455 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.602 -6.348 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.992 -5.289 5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.346 -0.987 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.925 -1.582 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.726 -2.310 2.723 1.00 0.00 H new ATOM 801 N LYS A 54 2.732 -4.061 6.414 1.00 0.00 N ATOM 802 CA LYS A 54 4.040 -3.406 6.430 1.00 0.00 C ATOM 803 C LYS A 54 4.395 -2.982 4.998 1.00 0.00 C ATOM 804 O LYS A 54 4.557 -3.840 4.118 1.00 0.00 O ATOM 805 CB LYS A 54 5.145 -4.330 7.018 1.00 0.00 C ATOM 806 CG LYS A 54 6.533 -3.641 7.137 1.00 0.00 C ATOM 807 CD LYS A 54 6.537 -2.484 8.170 1.00 0.00 C ATOM 808 CE LYS A 54 7.825 -1.639 8.145 1.00 0.00 C ATOM 809 NZ LYS A 54 7.981 -0.904 6.859 1.00 0.00 N ATOM 0 H LYS A 54 2.771 -5.080 6.429 1.00 0.00 H new ATOM 0 HA LYS A 54 3.986 -2.531 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.833 -4.673 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.240 -5.215 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.279 -4.382 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.827 -3.254 6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.683 -1.835 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.404 -2.900 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.809 -0.927 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.688 -2.287 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.981 -0.912 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.408 -1.365 6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.663 0.079 6.980 1.00 0.00 H new ATOM 823 N LEU A 55 4.454 -1.660 4.748 1.00 0.00 N ATOM 824 CA LEU A 55 4.937 -1.119 3.478 1.00 0.00 C ATOM 825 C LEU A 55 6.473 -1.203 3.453 1.00 0.00 C ATOM 826 O LEU A 55 7.119 -0.675 4.361 1.00 0.00 O ATOM 827 CB LEU A 55 4.477 0.364 3.301 1.00 0.00 C ATOM 828 CG LEU A 55 2.966 0.579 2.979 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.574 2.072 3.029 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.615 -0.034 1.606 1.00 0.00 C ATOM 0 H LEU A 55 4.169 -0.947 5.420 1.00 0.00 H new ATOM 0 HA LEU A 55 4.521 -1.702 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.714 0.908 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.066 0.813 2.501 1.00 0.00 H new ATOM 0 HG LEU A 55 2.389 0.068 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.514 2.178 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.770 2.466 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.161 2.627 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.557 0.125 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.214 0.443 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.826 -1.103 1.620 1.00 0.00 H new ATOM 842 N PRO A 56 7.087 -1.878 2.437 1.00 0.00 N ATOM 843 CA PRO A 56 8.534 -1.773 2.162 1.00 0.00 C ATOM 844 C PRO A 56 8.865 -0.437 1.461 1.00 0.00 C ATOM 845 O PRO A 56 9.643 -0.428 0.522 1.00 0.00 O ATOM 846 CB PRO A 56 8.827 -3.011 1.235 1.00 0.00 C ATOM 847 CG PRO A 56 7.554 -3.813 1.219 1.00 0.00 C ATOM 848 CD PRO A 56 6.445 -2.825 1.495 1.00 0.00 C ATOM 0 HA PRO A 56 9.145 -1.781 3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.102 -2.692 0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.658 -3.602 1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.412 -4.302 0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.576 -4.598 1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.109 -2.327 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.572 -3.307 1.936 1.00 0.00 H new ATOM 856 N LEU A 57 8.311 0.690 1.986 1.00 0.00 N ATOM 857 CA LEU A 57 8.420 2.036 1.373 1.00 0.00 C ATOM 858 C LEU A 57 9.900 2.447 1.370 1.00 0.00 C ATOM 859 O LEU A 57 10.399 2.977 0.388 1.00 0.00 O ATOM 860 CB LEU A 57 7.548 3.074 2.182 1.00 0.00 C ATOM 861 CG LEU A 57 7.037 4.375 1.444 1.00 0.00 C ATOM 862 CD1 LEU A 57 8.164 5.281 0.904 1.00 0.00 C ATOM 863 CD2 LEU A 57 6.021 4.019 0.343 1.00 0.00 C ATOM 0 H LEU A 57 7.773 0.686 2.853 1.00 0.00 H new ATOM 0 HA LEU A 57 8.046 2.017 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.674 2.545 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.130 3.392 3.047 1.00 0.00 H new ATOM 0 HG LEU A 57 6.535 4.971 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.728 6.151 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.794 5.610 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.767 4.724 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.684 4.931 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.493 3.364 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.166 3.510 0.788 1.00 0.00 H new ATOM 875 N GLU A 58 10.573 2.117 2.482 1.00 0.00 N ATOM 876 CA GLU A 58 11.996 2.416 2.718 1.00 0.00 C ATOM 877 C GLU A 58 12.849 1.702 1.655 1.00 0.00 C ATOM 878 O GLU A 58 13.696 2.308 0.999 1.00 0.00 O ATOM 879 CB GLU A 58 12.442 1.953 4.149 1.00 0.00 C ATOM 880 CG GLU A 58 11.477 2.293 5.315 1.00 0.00 C ATOM 881 CD GLU A 58 10.316 1.283 5.483 1.00 0.00 C ATOM 882 OE1 GLU A 58 10.563 0.180 6.007 1.00 0.00 O ATOM 883 OE2 GLU A 58 9.169 1.570 5.066 1.00 0.00 O ATOM 0 H GLU A 58 10.135 1.624 3.260 1.00 0.00 H new ATOM 0 HA GLU A 58 12.139 3.494 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.587 0.873 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.412 2.401 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.046 2.335 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.060 3.287 5.151 1.00 0.00 H new ATOM 890 N LYS A 59 12.535 0.405 1.473 1.00 0.00 N ATOM 891 CA LYS A 59 13.236 -0.498 0.544 1.00 0.00 C ATOM 892 C LYS A 59 13.006 -0.053 -0.918 1.00 0.00 C ATOM 893 O LYS A 59 13.941 -0.052 -1.722 1.00 0.00 O ATOM 894 CB LYS A 59 12.750 -1.958 0.767 1.00 0.00 C ATOM 895 CG LYS A 59 13.519 -3.022 -0.041 1.00 0.00 C ATOM 896 CD LYS A 59 13.036 -4.456 0.258 1.00 0.00 C ATOM 897 CE LYS A 59 13.783 -5.512 -0.564 1.00 0.00 C ATOM 898 NZ LYS A 59 13.220 -6.867 -0.348 1.00 0.00 N ATOM 0 H LYS A 59 11.774 -0.051 1.977 1.00 0.00 H new ATOM 0 HA LYS A 59 14.307 -0.455 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.833 -2.196 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.693 -2.018 0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.404 -2.818 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.583 -2.946 0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.168 -4.666 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.968 -4.527 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.726 -5.258 -1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.838 -5.508 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.748 -7.557 -0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.297 -7.118 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.220 -6.877 -0.632 1.00 0.00 H new ATOM 912 N TRP A 60 11.760 0.386 -1.212 1.00 0.00 N ATOM 913 CA TRP A 60 11.373 0.931 -2.528 1.00 0.00 C ATOM 914 C TRP A 60 12.183 2.192 -2.822 1.00 0.00 C ATOM 915 O TRP A 60 12.699 2.337 -3.910 1.00 0.00 O ATOM 916 CB TRP A 60 9.855 1.267 -2.576 1.00 0.00 C ATOM 917 CG TRP A 60 8.932 0.074 -2.479 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.229 -1.231 -2.749 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.541 0.093 -2.111 1.00 0.00 C ATOM 920 NE1 TRP A 60 8.131 -2.016 -2.547 1.00 0.00 N ATOM 921 CE2 TRP A 60 7.081 -1.230 -2.158 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.652 1.104 -1.734 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.765 -1.573 -1.853 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.347 0.767 -1.433 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.919 -0.564 -1.485 1.00 0.00 C ATOM 0 H TRP A 60 10.994 0.371 -0.538 1.00 0.00 H new ATOM 0 HA TRP A 60 11.580 0.172 -3.282 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.624 1.953 -1.761 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.645 1.795 -3.506 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.194 -1.590 -3.075 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.098 -3.028 -2.667 1.00 0.00 H new ATOM 0 HE3 TRP A 60 6.980 2.131 -1.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.426 -2.597 -1.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.648 1.541 -1.154 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.897 -0.800 -1.229 1.00 0.00 H new ATOM 936 N THR A 61 12.323 3.049 -1.788 1.00 0.00 N ATOM 937 CA THR A 61 13.070 4.317 -1.867 1.00 0.00 C ATOM 938 C THR A 61 14.547 4.048 -2.229 1.00 0.00 C ATOM 939 O THR A 61 15.133 4.773 -3.035 1.00 0.00 O ATOM 940 CB THR A 61 12.979 5.104 -0.512 1.00 0.00 C ATOM 941 OG1 THR A 61 11.610 5.411 -0.191 1.00 0.00 O ATOM 942 CG2 THR A 61 13.805 6.402 -0.524 1.00 0.00 C ATOM 0 H THR A 61 11.916 2.876 -0.869 1.00 0.00 H new ATOM 0 HA THR A 61 12.621 4.928 -2.650 1.00 0.00 H new ATOM 0 HB THR A 61 13.399 4.449 0.252 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.134 4.585 0.037 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.706 6.905 0.438 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.854 6.164 -0.702 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.442 7.057 -1.316 1.00 0.00 H new ATOM 950 N GLN A 62 15.120 2.948 -1.686 1.00 0.00 N ATOM 951 CA GLN A 62 16.537 2.616 -1.898 1.00 0.00 C ATOM 952 C GLN A 62 16.733 2.163 -3.347 1.00 0.00 C ATOM 953 O GLN A 62 17.621 2.642 -4.033 1.00 0.00 O ATOM 954 CB GLN A 62 17.027 1.508 -0.922 1.00 0.00 C ATOM 955 CG GLN A 62 16.773 1.777 0.576 1.00 0.00 C ATOM 956 CD GLN A 62 17.145 3.195 1.016 1.00 0.00 C ATOM 957 OE1 GLN A 62 18.282 3.462 1.386 1.00 0.00 O ATOM 958 NE2 GLN A 62 16.185 4.112 0.962 1.00 0.00 N ATOM 0 H GLN A 62 14.619 2.281 -1.100 1.00 0.00 H new ATOM 0 HA GLN A 62 17.130 3.508 -1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.541 0.571 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.097 1.366 -1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.719 1.603 0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.344 1.061 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.249 3.853 0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.384 5.075 1.234 1.00 0.00 H new ATOM 967 N GLU A 63 15.841 1.266 -3.795 1.00 0.00 N ATOM 968 CA GLU A 63 15.872 0.699 -5.152 1.00 0.00 C ATOM 969 C GLU A 63 15.542 1.758 -6.222 1.00 0.00 C ATOM 970 O GLU A 63 16.052 1.701 -7.340 1.00 0.00 O ATOM 971 CB GLU A 63 14.909 -0.503 -5.221 1.00 0.00 C ATOM 972 CG GLU A 63 15.264 -1.635 -4.226 1.00 0.00 C ATOM 973 CD GLU A 63 14.346 -2.849 -4.352 1.00 0.00 C ATOM 974 OE1 GLU A 63 14.485 -3.589 -5.347 1.00 0.00 O ATOM 975 OE2 GLU A 63 13.472 -3.067 -3.484 1.00 0.00 O ATOM 0 H GLU A 63 15.074 0.912 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 63 16.883 0.354 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.895 -0.158 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.914 -0.905 -6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.295 -1.947 -4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.208 -1.248 -3.209 1.00 0.00 H new ATOM 982 N VAL A 64 14.718 2.748 -5.836 1.00 0.00 N ATOM 983 CA VAL A 64 14.396 3.912 -6.681 1.00 0.00 C ATOM 984 C VAL A 64 15.688 4.686 -7.016 1.00 0.00 C ATOM 985 O VAL A 64 16.033 4.851 -8.191 1.00 0.00 O ATOM 986 CB VAL A 64 13.327 4.854 -5.982 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.385 6.309 -6.496 1.00 0.00 C ATOM 988 CG2 VAL A 64 11.895 4.283 -6.149 1.00 0.00 C ATOM 0 H VAL A 64 14.255 2.764 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 64 13.950 3.556 -7.610 1.00 0.00 H new ATOM 0 HB VAL A 64 13.582 4.878 -4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.632 6.907 -5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.373 6.725 -6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.191 6.324 -7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.180 4.946 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.655 4.207 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.842 3.294 -5.693 1.00 0.00 H new ATOM 998 N ASN A 65 16.419 5.085 -5.966 1.00 0.00 N ATOM 999 CA ASN A 65 17.628 5.915 -6.101 1.00 0.00 C ATOM 1000 C ASN A 65 18.853 5.081 -6.512 1.00 0.00 C ATOM 1001 O ASN A 65 19.846 5.642 -6.968 1.00 0.00 O ATOM 1002 CB ASN A 65 17.893 6.705 -4.791 1.00 0.00 C ATOM 1003 CG ASN A 65 16.794 7.739 -4.511 1.00 0.00 C ATOM 1004 OD1 ASN A 65 16.793 8.830 -5.080 1.00 0.00 O ATOM 1005 ND2 ASN A 65 15.884 7.424 -3.606 1.00 0.00 N ATOM 0 H ASN A 65 16.191 4.843 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 65 17.452 6.632 -6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.958 6.009 -3.955 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.857 7.210 -4.861 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.154 8.094 -3.362 1.00 0.00 H new ATOM 0 HD22 ASN A 65 15.911 6.511 -3.152 1.00 0.00 H new ATOM 1012 N ASP A 66 18.769 3.738 -6.386 1.00 0.00 N ATOM 1013 CA ASP A 66 19.866 2.816 -6.781 1.00 0.00 C ATOM 1014 C ASP A 66 19.868 2.575 -8.315 1.00 0.00 C ATOM 1015 O ASP A 66 20.826 2.021 -8.866 1.00 0.00 O ATOM 1016 CB ASP A 66 19.713 1.465 -6.023 1.00 0.00 C ATOM 1017 CG ASP A 66 20.966 0.574 -6.086 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.879 0.759 -5.249 1.00 0.00 O ATOM 1019 OD2 ASP A 66 21.053 -0.314 -6.961 1.00 0.00 O ATOM 0 H ASP A 66 17.948 3.262 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 66 20.818 3.275 -6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.476 1.669 -4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.868 0.918 -6.441 1.00 0.00 H new ATOM 1024 N GLY A 67 18.802 3.045 -9.000 1.00 0.00 N ATOM 1025 CA GLY A 67 18.605 2.790 -10.433 1.00 0.00 C ATOM 1026 C GLY A 67 18.103 1.378 -10.736 1.00 0.00 C ATOM 1027 O GLY A 67 18.469 0.791 -11.761 1.00 0.00 O ATOM 0 H GLY A 67 18.064 3.606 -8.575 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.892 3.514 -10.828 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.547 2.952 -10.956 1.00 0.00 H new ATOM 1031 N LYS A 68 17.294 0.827 -9.814 1.00 0.00 N ATOM 1032 CA LYS A 68 16.587 -0.467 -9.999 1.00 0.00 C ATOM 1033 C LYS A 68 15.147 -0.217 -10.478 1.00 0.00 C ATOM 1034 O LYS A 68 14.657 -0.894 -11.387 1.00 0.00 O ATOM 1035 CB LYS A 68 16.568 -1.279 -8.676 1.00 0.00 C ATOM 1036 CG LYS A 68 17.947 -1.746 -8.174 1.00 0.00 C ATOM 1037 CD LYS A 68 17.847 -2.563 -6.867 1.00 0.00 C ATOM 1038 CE LYS A 68 19.204 -3.083 -6.379 1.00 0.00 C ATOM 1039 NZ LYS A 68 19.084 -3.764 -5.067 1.00 0.00 N ATOM 0 H LYS A 68 17.107 1.264 -8.912 1.00 0.00 H new ATOM 0 HA LYS A 68 17.122 -1.045 -10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.104 -0.669 -7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.934 -2.155 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.426 -2.352 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.585 -0.878 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.402 -1.942 -6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.176 -3.407 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.615 -3.775 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.905 -2.252 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.020 -4.104 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.714 -3.095 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.434 -4.571 -5.153 1.00 0.00 H new ATOM 1053 N ALA A 69 14.490 0.771 -9.854 1.00 0.00 N ATOM 1054 CA ALA A 69 13.091 1.148 -10.141 1.00 0.00 C ATOM 1055 C ALA A 69 12.990 2.674 -10.242 1.00 0.00 C ATOM 1056 O ALA A 69 13.889 3.385 -9.782 1.00 0.00 O ATOM 1057 CB ALA A 69 12.165 0.601 -9.042 1.00 0.00 C ATOM 0 H ALA A 69 14.918 1.341 -9.125 1.00 0.00 H new ATOM 0 HA ALA A 69 12.777 0.715 -11.091 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.135 0.883 -9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.244 -0.486 -9.007 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.459 1.017 -8.078 1.00 0.00 H new ATOM 1063 N THR A 70 11.915 3.175 -10.867 1.00 0.00 N ATOM 1064 CA THR A 70 11.678 4.623 -11.037 1.00 0.00 C ATOM 1065 C THR A 70 10.899 5.198 -9.822 1.00 0.00 C ATOM 1066 O THR A 70 10.237 4.448 -9.089 1.00 0.00 O ATOM 1067 CB THR A 70 10.889 4.866 -12.376 1.00 0.00 C ATOM 1068 OG1 THR A 70 11.519 4.137 -13.437 1.00 0.00 O ATOM 1069 CG2 THR A 70 10.821 6.353 -12.774 1.00 0.00 C ATOM 0 H THR A 70 11.183 2.591 -11.270 1.00 0.00 H new ATOM 0 HA THR A 70 12.636 5.141 -11.089 1.00 0.00 H new ATOM 0 HB THR A 70 9.868 4.522 -12.208 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.028 4.285 -14.272 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.264 6.455 -13.706 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.320 6.918 -11.988 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.831 6.740 -12.911 1.00 0.00 H new ATOM 1077 N THR A 71 11.004 6.535 -9.613 1.00 0.00 N ATOM 1078 CA THR A 71 10.298 7.257 -8.538 1.00 0.00 C ATOM 1079 C THR A 71 8.771 7.059 -8.649 1.00 0.00 C ATOM 1080 O THR A 71 8.146 6.495 -7.746 1.00 0.00 O ATOM 1081 CB THR A 71 10.631 8.793 -8.562 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.380 9.328 -9.874 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.079 9.094 -8.161 1.00 0.00 C ATOM 0 H THR A 71 11.586 7.141 -10.192 1.00 0.00 H new ATOM 0 HA THR A 71 10.644 6.840 -7.592 1.00 0.00 H new ATOM 0 HB THR A 71 9.983 9.268 -7.825 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.588 10.286 -9.882 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.250 10.170 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.259 8.731 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.759 8.596 -8.852 1.00 0.00 H new ATOM 1091 N GLU A 72 8.210 7.519 -9.785 1.00 0.00 N ATOM 1092 CA GLU A 72 6.759 7.492 -10.086 1.00 0.00 C ATOM 1093 C GLU A 72 6.090 6.107 -9.876 1.00 0.00 C ATOM 1094 O GLU A 72 4.912 6.032 -9.500 1.00 0.00 O ATOM 1095 CB GLU A 72 6.522 8.069 -11.528 1.00 0.00 C ATOM 1096 CG GLU A 72 7.339 7.447 -12.690 1.00 0.00 C ATOM 1097 CD GLU A 72 6.838 6.066 -13.146 1.00 0.00 C ATOM 1098 OE1 GLU A 72 5.712 5.992 -13.681 1.00 0.00 O ATOM 1099 OE2 GLU A 72 7.557 5.061 -12.971 1.00 0.00 O ATOM 0 H GLU A 72 8.763 7.929 -10.538 1.00 0.00 H new ATOM 0 HA GLU A 72 6.259 8.130 -9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.464 7.960 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.734 9.138 -11.502 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.316 8.128 -13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.380 7.359 -12.380 1.00 0.00 H new ATOM 1106 N GLN A 73 6.877 5.043 -10.093 1.00 0.00 N ATOM 1107 CA GLN A 73 6.447 3.632 -9.925 1.00 0.00 C ATOM 1108 C GLN A 73 5.843 3.366 -8.525 1.00 0.00 C ATOM 1109 O GLN A 73 4.937 2.528 -8.369 1.00 0.00 O ATOM 1110 CB GLN A 73 7.658 2.699 -10.200 1.00 0.00 C ATOM 1111 CG GLN A 73 7.374 1.183 -10.148 1.00 0.00 C ATOM 1112 CD GLN A 73 8.593 0.329 -10.514 1.00 0.00 C ATOM 1113 OE1 GLN A 73 9.443 0.734 -11.312 1.00 0.00 O ATOM 1114 NE2 GLN A 73 8.682 -0.859 -9.936 1.00 0.00 N ATOM 0 H GLN A 73 7.847 5.132 -10.395 1.00 0.00 H new ATOM 0 HA GLN A 73 5.654 3.424 -10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.059 2.939 -11.185 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.438 2.927 -9.474 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.039 0.917 -9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.556 0.949 -10.830 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.962 -1.163 -9.281 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.471 -1.470 -10.146 1.00 0.00 H new ATOM 1123 N TYR A 74 6.349 4.087 -7.508 1.00 0.00 N ATOM 1124 CA TYR A 74 5.887 3.949 -6.110 1.00 0.00 C ATOM 1125 C TYR A 74 5.317 5.256 -5.548 1.00 0.00 C ATOM 1126 O TYR A 74 4.497 5.213 -4.632 1.00 0.00 O ATOM 1127 CB TYR A 74 7.053 3.461 -5.211 1.00 0.00 C ATOM 1128 CG TYR A 74 7.657 2.142 -5.693 1.00 0.00 C ATOM 1129 CD1 TYR A 74 6.926 0.961 -5.614 1.00 0.00 C ATOM 1130 CD2 TYR A 74 8.924 2.085 -6.267 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.437 -0.229 -6.079 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.435 0.899 -6.741 1.00 0.00 C ATOM 1133 CZ TYR A 74 8.690 -0.256 -6.647 1.00 0.00 C ATOM 1134 OH TYR A 74 9.195 -1.435 -7.137 1.00 0.00 O ATOM 0 H TYR A 74 7.087 4.780 -7.629 1.00 0.00 H new ATOM 0 HA TYR A 74 5.082 3.214 -6.111 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.831 4.224 -5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.692 3.339 -4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.938 0.979 -5.179 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.515 2.986 -6.341 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.858 -1.137 -5.999 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.419 0.873 -7.186 1.00 0.00 H new ATOM 0 HH TYR A 74 10.090 -1.280 -7.505 1.00 0.00 H new ATOM 1144 N PHE A 75 5.744 6.421 -6.075 1.00 0.00 N ATOM 1145 CA PHE A 75 5.438 7.733 -5.462 1.00 0.00 C ATOM 1146 C PHE A 75 4.273 8.474 -6.153 1.00 0.00 C ATOM 1147 O PHE A 75 3.863 9.524 -5.668 1.00 0.00 O ATOM 1148 CB PHE A 75 6.716 8.617 -5.441 1.00 0.00 C ATOM 1149 CG PHE A 75 7.793 8.125 -4.461 1.00 0.00 C ATOM 1150 CD1 PHE A 75 7.608 8.259 -3.083 1.00 0.00 C ATOM 1151 CD2 PHE A 75 8.979 7.531 -4.903 1.00 0.00 C ATOM 1152 CE1 PHE A 75 8.566 7.821 -2.187 1.00 0.00 C ATOM 1153 CE2 PHE A 75 9.938 7.088 -4.004 1.00 0.00 C ATOM 1154 CZ PHE A 75 9.731 7.234 -2.649 1.00 0.00 C ATOM 0 H PHE A 75 6.303 6.482 -6.926 1.00 0.00 H new ATOM 0 HA PHE A 75 5.108 7.538 -4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.140 8.651 -6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.437 9.637 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.701 8.712 -2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.151 7.415 -5.963 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.405 7.937 -1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.846 6.629 -4.365 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.478 6.890 -1.948 1.00 0.00 H new ATOM 1164 N VAL A 76 3.706 7.929 -7.246 1.00 0.00 N ATOM 1165 CA VAL A 76 2.492 8.527 -7.863 1.00 0.00 C ATOM 1166 C VAL A 76 1.284 7.923 -7.164 1.00 0.00 C ATOM 1167 O VAL A 76 1.175 6.722 -7.100 1.00 0.00 O ATOM 1168 CB VAL A 76 2.411 8.306 -9.409 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.031 8.704 -9.981 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.520 9.098 -10.113 1.00 0.00 C ATOM 0 H VAL A 76 4.055 7.094 -7.717 1.00 0.00 H new ATOM 0 HA VAL A 76 2.526 9.609 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 76 2.548 7.241 -9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.021 8.534 -11.058 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.254 8.101 -9.511 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.844 9.759 -9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.455 8.937 -11.189 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.402 10.160 -9.897 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.492 8.760 -9.754 1.00 0.00 H new ATOM 1180 N LEU A 77 0.385 8.773 -6.672 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.667 8.394 -5.712 1.00 0.00 C ATOM 1182 C LEU A 77 -1.617 7.273 -6.223 1.00 0.00 C ATOM 1183 O LEU A 77 -2.234 6.581 -5.406 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.440 9.671 -5.288 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.538 10.845 -4.767 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.373 12.061 -4.352 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.406 10.387 -3.627 1.00 0.00 C ATOM 0 H LEU A 77 0.361 9.760 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.181 7.952 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.019 10.027 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.152 9.405 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 77 0.093 11.154 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.712 12.852 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.942 12.421 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.059 11.776 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.012 11.230 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.187 10.016 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.057 9.593 -3.991 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.717 7.083 -7.564 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.477 5.948 -8.163 1.00 0.00 C ATOM 1201 C LYS A 78 -1.630 4.653 -8.147 1.00 0.00 C ATOM 1202 O LYS A 78 -2.146 3.566 -7.853 1.00 0.00 O ATOM 1203 CB LYS A 78 -2.964 6.275 -9.617 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.849 6.569 -10.645 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.379 6.999 -12.035 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.244 7.312 -13.028 1.00 0.00 C ATOM 1207 NZ LYS A 78 -1.768 7.735 -14.357 1.00 0.00 N ATOM 0 H LYS A 78 -1.283 7.698 -8.252 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.364 5.790 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.556 5.435 -9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.629 7.138 -9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.204 7.356 -10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.231 5.679 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.006 6.206 -12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.012 7.879 -11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.612 8.100 -12.620 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.615 6.430 -13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.243 7.245 -15.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.777 7.493 -14.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.651 8.763 -14.465 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.323 4.793 -8.457 1.00 0.00 N ATOM 1222 CA ASN A 79 0.651 3.673 -8.449 1.00 0.00 C ATOM 1223 C ASN A 79 0.830 3.163 -7.015 1.00 0.00 C ATOM 1224 O ASN A 79 0.724 1.972 -6.760 1.00 0.00 O ATOM 1225 CB ASN A 79 2.028 4.115 -9.031 1.00 0.00 C ATOM 1226 CG ASN A 79 1.994 4.515 -10.513 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.987 5.001 -11.025 1.00 0.00 O ATOM 1228 ND2 ASN A 79 3.106 4.324 -11.207 1.00 0.00 N ATOM 0 H ASN A 79 0.090 5.687 -8.721 1.00 0.00 H new ATOM 0 HA ASN A 79 0.261 2.874 -9.080 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.401 4.958 -8.449 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.740 3.300 -8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.142 4.582 -12.193 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.926 3.919 -10.755 1.00 0.00 H new ATOM 1235 N LEU A 80 1.090 4.118 -6.104 1.00 0.00 N ATOM 1236 CA LEU A 80 1.183 3.924 -4.649 1.00 0.00 C ATOM 1237 C LEU A 80 -0.050 3.197 -4.104 1.00 0.00 C ATOM 1238 O LEU A 80 0.090 2.214 -3.377 1.00 0.00 O ATOM 1239 CB LEU A 80 1.307 5.306 -3.947 1.00 0.00 C ATOM 1240 CG LEU A 80 1.389 5.280 -2.384 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.719 4.667 -1.879 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.123 6.677 -1.788 1.00 0.00 C ATOM 0 H LEU A 80 1.248 5.088 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 80 2.063 3.314 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.197 5.806 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.451 5.915 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 80 0.597 4.622 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.730 4.670 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.808 3.642 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.556 5.257 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.187 6.627 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.867 7.380 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.127 7.013 -2.078 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.253 3.687 -4.481 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.535 3.082 -4.057 1.00 0.00 C ATOM 1256 C ALA A 81 -2.608 1.611 -4.486 1.00 0.00 C ATOM 1257 O ALA A 81 -3.085 0.770 -3.733 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.723 3.870 -4.629 1.00 0.00 C ATOM 0 H ALA A 81 -1.362 4.504 -5.081 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.588 3.125 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.656 3.408 -4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.684 4.899 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.674 3.863 -5.718 1.00 0.00 H new ATOM 1264 N ALA A 82 -2.076 1.321 -5.685 1.00 0.00 N ATOM 1265 CA ALA A 82 -2.027 -0.040 -6.240 1.00 0.00 C ATOM 1266 C ALA A 82 -0.977 -0.914 -5.508 1.00 0.00 C ATOM 1267 O ALA A 82 -1.186 -2.117 -5.351 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.741 0.024 -7.750 1.00 0.00 C ATOM 0 H ALA A 82 -1.667 2.027 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.998 -0.511 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.706 -0.987 -8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.531 0.587 -8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.783 0.517 -7.918 1.00 0.00 H new ATOM 1274 N ARG A 83 0.145 -0.296 -5.065 1.00 0.00 N ATOM 1275 CA ARG A 83 1.210 -0.994 -4.289 1.00 0.00 C ATOM 1276 C ARG A 83 0.651 -1.489 -2.943 1.00 0.00 C ATOM 1277 O ARG A 83 0.866 -2.629 -2.534 1.00 0.00 O ATOM 1278 CB ARG A 83 2.438 -0.069 -4.015 1.00 0.00 C ATOM 1279 CG ARG A 83 3.113 0.595 -5.239 1.00 0.00 C ATOM 1280 CD ARG A 83 3.648 -0.393 -6.297 1.00 0.00 C ATOM 1281 NE ARG A 83 2.591 -0.981 -7.138 1.00 0.00 N ATOM 1282 CZ ARG A 83 2.265 -0.585 -8.380 1.00 0.00 C ATOM 1283 NH1 ARG A 83 2.853 0.472 -8.946 1.00 0.00 N ATOM 1284 NH2 ARG A 83 1.347 -1.256 -9.055 1.00 0.00 N ATOM 0 H ARG A 83 0.340 0.691 -5.231 1.00 0.00 H new ATOM 0 HA ARG A 83 1.542 -1.838 -4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.120 0.721 -3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.192 -0.656 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.394 1.262 -5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.939 1.214 -4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.365 0.123 -6.936 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.189 -1.194 -5.794 1.00 0.00 H new ATOM 0 HE ARG A 83 2.060 -1.757 -6.743 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.564 0.995 -8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.591 0.756 -9.890 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.894 -2.066 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.092 -0.964 -9.998 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.082 -0.595 -2.283 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.708 -0.851 -0.976 1.00 0.00 C ATOM 1300 C ILE A 84 -1.840 -1.889 -1.129 1.00 0.00 C ATOM 1301 O ILE A 84 -1.959 -2.809 -0.325 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.258 0.503 -0.390 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.101 1.554 -0.301 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -1.944 0.297 0.985 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.540 2.992 -0.134 1.00 0.00 C ATOM 0 H ILE A 84 -0.264 0.343 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 84 0.031 -1.257 -0.285 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.023 0.884 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.543 1.289 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.504 1.480 -1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.310 1.254 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.780 -0.393 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.224 -0.115 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.337 3.637 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.157 3.285 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.117 3.092 0.785 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.615 -1.737 -2.222 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.781 -2.594 -2.552 1.00 0.00 C ATOM 1319 C ASP A 85 -3.373 -4.064 -2.794 1.00 0.00 C ATOM 1320 O ASP A 85 -4.055 -4.990 -2.332 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.495 -2.006 -3.798 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.756 -2.768 -4.239 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.758 -2.743 -3.503 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.745 -3.391 -5.324 1.00 0.00 O ATOM 0 H ASP A 85 -2.449 -1.005 -2.913 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.462 -2.599 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.767 -0.972 -3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.789 -1.988 -4.629 1.00 0.00 H new ATOM 1329 N GLU A 86 -2.243 -4.263 -3.507 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.714 -5.605 -3.819 1.00 0.00 C ATOM 1331 C GLU A 86 -1.066 -6.235 -2.569 1.00 0.00 C ATOM 1332 O GLU A 86 -1.009 -7.462 -2.459 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.722 -5.550 -5.020 1.00 0.00 C ATOM 1334 CG GLU A 86 0.577 -4.763 -4.771 1.00 0.00 C ATOM 1335 CD GLU A 86 1.438 -4.580 -6.031 1.00 0.00 C ATOM 1336 OE1 GLU A 86 1.190 -3.624 -6.801 1.00 0.00 O ATOM 1337 OE2 GLU A 86 2.368 -5.382 -6.256 1.00 0.00 O ATOM 0 H GLU A 86 -1.676 -3.501 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.545 -6.243 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.460 -6.571 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.236 -5.108 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.326 -3.782 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.165 -5.279 -4.012 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.582 -5.388 -1.625 1.00 0.00 N ATOM 1345 CA LEU A 87 -0.099 -5.858 -0.304 1.00 0.00 C ATOM 1346 C LEU A 87 -1.279 -6.252 0.613 1.00 0.00 C ATOM 1347 O LEU A 87 -1.135 -7.130 1.466 1.00 0.00 O ATOM 1348 CB LEU A 87 0.802 -4.790 0.375 1.00 0.00 C ATOM 1349 CG LEU A 87 2.186 -4.538 -0.305 1.00 0.00 C ATOM 1350 CD1 LEU A 87 2.948 -3.389 0.379 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.033 -5.831 -0.347 1.00 0.00 C ATOM 0 H LEU A 87 -0.517 -4.378 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 87 0.506 -6.749 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.256 -3.847 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.975 -5.091 1.408 1.00 0.00 H new ATOM 0 HG LEU A 87 1.996 -4.235 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.906 -3.241 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.360 -2.473 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.118 -3.638 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.990 -5.624 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.205 -6.186 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.502 -6.596 -0.914 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.449 -5.603 0.417 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.707 -5.969 1.115 1.00 0.00 C ATOM 1365 C VAL A 88 -4.253 -7.293 0.538 1.00 0.00 C ATOM 1366 O VAL A 88 -4.811 -8.117 1.265 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.783 -4.819 1.012 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -6.153 -5.249 1.595 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.266 -3.532 1.707 1.00 0.00 C ATOM 0 H VAL A 88 -2.550 -4.816 -0.224 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.488 -6.106 2.174 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.939 -4.609 -0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.862 -4.426 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.527 -6.113 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.035 -5.510 2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.019 -2.748 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.069 -3.741 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.346 -3.202 1.224 1.00 0.00 H new ATOM 1379 N ALA A 89 -4.033 -7.496 -0.777 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.407 -8.736 -1.482 1.00 0.00 C ATOM 1381 C ALA A 89 -3.480 -9.891 -1.061 1.00 0.00 C ATOM 1382 O ALA A 89 -3.909 -11.046 -0.972 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.349 -8.519 -3.000 1.00 0.00 C ATOM 0 H ALA A 89 -3.590 -6.803 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.429 -9.001 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.627 -9.441 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.042 -7.726 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.337 -8.236 -3.289 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.196 -9.553 -0.809 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.195 -10.490 -0.244 1.00 0.00 C ATOM 1391 C ALA A 90 -1.563 -10.867 1.209 1.00 0.00 C ATOM 1392 O ALA A 90 -1.337 -11.999 1.653 1.00 0.00 O ATOM 1393 CB ALA A 90 0.208 -9.862 -0.301 1.00 0.00 C ATOM 0 H ALA A 90 -1.822 -8.622 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.194 -11.402 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.935 -10.558 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.467 -9.644 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.217 -8.938 0.277 1.00 0.00 H new ATOM 1399 N LYS A 91 -2.169 -9.896 1.917 1.00 0.00 N ATOM 1400 CA LYS A 91 -2.693 -10.072 3.287 1.00 0.00 C ATOM 1401 C LYS A 91 -4.069 -10.782 3.224 1.00 0.00 C ATOM 1402 O LYS A 91 -4.553 -11.307 4.227 1.00 0.00 O ATOM 1403 CB LYS A 91 -2.836 -8.688 3.975 1.00 0.00 C ATOM 1404 CG LYS A 91 -3.304 -8.720 5.456 1.00 0.00 C ATOM 1405 CD LYS A 91 -3.836 -7.357 5.956 1.00 0.00 C ATOM 1406 CE LYS A 91 -5.055 -6.861 5.143 1.00 0.00 C ATOM 1407 NZ LYS A 91 -5.614 -5.612 5.685 1.00 0.00 N ATOM 0 H LYS A 91 -2.311 -8.955 1.550 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.002 -10.683 3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.874 -8.178 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.543 -8.089 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.086 -9.471 5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.471 -9.031 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.115 -7.443 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.039 -6.616 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.758 -6.704 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.826 -7.631 5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.350 -5.254 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.029 -5.795 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.858 -4.903 5.774 1.00 0.00 H new ATOM 1421 N GLY A 92 -4.683 -10.780 2.021 1.00 0.00 N ATOM 1422 CA GLY A 92 -5.941 -11.483 1.752 1.00 0.00 C ATOM 1423 C GLY A 92 -5.772 -12.997 1.684 1.00 0.00 C ATOM 1424 O GLY A 92 -6.732 -13.745 1.846 1.00 0.00 O ATOM 0 H GLY A 92 -4.312 -10.286 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.662 -11.238 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.356 -11.126 0.810 1.00 0.00 H new ATOM 1428 N ALA A 93 -4.533 -13.439 1.416 1.00 0.00 N ATOM 1429 CA ALA A 93 -4.121 -14.855 1.564 1.00 0.00 C ATOM 1430 C ALA A 93 -3.659 -15.142 3.023 1.00 0.00 C ATOM 1431 O ALA A 93 -3.227 -16.259 3.343 1.00 0.00 O ATOM 1432 CB ALA A 93 -3.013 -15.181 0.543 1.00 0.00 C ATOM 0 H ALA A 93 -3.784 -12.829 1.090 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.974 -15.502 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.711 -16.223 0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.389 -15.017 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.154 -14.534 0.719 1.00 0.00 H new ATOM 1438 N LEU A 94 -3.780 -14.099 3.877 1.00 0.00 N ATOM 1439 CA LEU A 94 -3.444 -14.095 5.316 1.00 0.00 C ATOM 1440 C LEU A 94 -1.974 -14.460 5.601 1.00 0.00 C ATOM 1441 O LEU A 94 -1.560 -15.617 5.450 1.00 0.00 O ATOM 1442 CB LEU A 94 -4.437 -14.974 6.129 1.00 0.00 C ATOM 1443 CG LEU A 94 -5.929 -14.491 6.108 1.00 0.00 C ATOM 1444 CD1 LEU A 94 -6.845 -15.457 6.881 1.00 0.00 C ATOM 1445 CD2 LEU A 94 -6.061 -13.048 6.652 1.00 0.00 C ATOM 0 H LEU A 94 -4.132 -13.194 3.564 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.557 -13.066 5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.396 -15.992 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.099 -15.013 7.165 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.254 -14.487 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.871 -15.092 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.796 -16.447 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.517 -15.518 7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.107 -12.743 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.700 -13.012 7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.469 -12.371 6.036 1.00 0.00 H new ATOM 1457 N GLU A 95 -1.192 -13.430 5.989 1.00 0.00 N ATOM 1458 CA GLU A 95 0.191 -13.581 6.460 1.00 0.00 C ATOM 1459 C GLU A 95 0.242 -14.499 7.691 1.00 0.00 C ATOM 1460 O GLU A 95 -0.247 -14.135 8.765 1.00 0.00 O ATOM 1461 CB GLU A 95 0.823 -12.184 6.763 1.00 0.00 C ATOM 1462 CG GLU A 95 1.512 -11.523 5.551 1.00 0.00 C ATOM 1463 CD GLU A 95 2.713 -12.351 5.053 1.00 0.00 C ATOM 1464 OE1 GLU A 95 3.813 -12.253 5.650 1.00 0.00 O ATOM 1465 OE2 GLU A 95 2.551 -13.147 4.101 1.00 0.00 O ATOM 0 H GLU A 95 -1.512 -12.462 5.982 1.00 0.00 H new ATOM 0 HA GLU A 95 0.781 -14.048 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.043 -11.517 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.553 -12.294 7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.791 -11.406 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.849 -10.523 5.825 1.00 0.00 H new ATOM 1472 N HIS A 96 0.818 -15.695 7.492 1.00 0.00 N ATOM 1473 CA HIS A 96 0.895 -16.740 8.517 1.00 0.00 C ATOM 1474 C HIS A 96 1.894 -16.331 9.607 1.00 0.00 C ATOM 1475 O HIS A 96 3.089 -16.632 9.517 1.00 0.00 O ATOM 1476 CB HIS A 96 1.285 -18.091 7.873 1.00 0.00 C ATOM 1477 CG HIS A 96 0.380 -18.504 6.746 1.00 0.00 C ATOM 1478 ND1 HIS A 96 0.830 -18.745 5.464 1.00 0.00 N ATOM 1479 CD2 HIS A 96 -0.952 -18.700 6.716 1.00 0.00 C ATOM 1480 CE1 HIS A 96 -0.190 -19.075 4.700 1.00 0.00 C ATOM 1481 NE2 HIS A 96 -1.283 -19.061 5.437 1.00 0.00 N ATOM 0 H HIS A 96 1.246 -15.963 6.606 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.083 -16.862 8.983 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.308 -18.025 7.501 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.274 -18.866 8.639 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.633 -18.592 7.547 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.140 -19.316 3.648 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.223 -19.283 5.108 1.00 0.00 H new ATOM 1490 N HIS A 97 1.392 -15.567 10.592 1.00 0.00 N ATOM 1491 CA HIS A 97 2.179 -15.039 11.728 1.00 0.00 C ATOM 1492 C HIS A 97 1.579 -15.552 13.057 1.00 0.00 C ATOM 1493 O HIS A 97 1.791 -14.941 14.112 1.00 0.00 O ATOM 1494 CB HIS A 97 2.202 -13.473 11.687 1.00 0.00 C ATOM 1495 CG HIS A 97 2.916 -12.870 10.492 1.00 0.00 C ATOM 1496 ND1 HIS A 97 2.757 -11.550 10.121 1.00 0.00 N ATOM 1497 CD2 HIS A 97 3.813 -13.392 9.618 1.00 0.00 C ATOM 1498 CE1 HIS A 97 3.515 -11.296 9.075 1.00 0.00 C ATOM 1499 NE2 HIS A 97 4.164 -12.390 8.746 1.00 0.00 N ATOM 0 H HIS A 97 0.410 -15.292 10.625 1.00 0.00 H new ATOM 0 HA HIS A 97 3.208 -15.392 11.653 1.00 0.00 H new ATOM 0 HB2 HIS A 97 1.174 -13.110 11.698 1.00 0.00 H new ATOM 0 HB3 HIS A 97 2.678 -13.108 12.597 1.00 0.00 H new ATOM 0 HD2 HIS A 97 4.182 -14.407 9.609 1.00 0.00 H new ATOM 0 HE1 HIS A 97 3.591 -10.344 8.570 1.00 0.00 H new ATOM 0 HE2 HIS A 97 4.821 -12.481 7.971 1.00 0.00 H new ATOM 1508 N HIS A 98 0.874 -16.710 12.976 1.00 0.00 N ATOM 1509 CA HIS A 98 0.160 -17.350 14.107 1.00 0.00 C ATOM 1510 C HIS A 98 -0.998 -16.465 14.611 1.00 0.00 C ATOM 1511 O HIS A 98 -0.824 -15.651 15.521 1.00 0.00 O ATOM 1512 CB HIS A 98 1.111 -17.749 15.280 1.00 0.00 C ATOM 1513 CG HIS A 98 2.175 -18.756 14.926 1.00 0.00 C ATOM 1514 ND1 HIS A 98 1.923 -20.105 14.812 1.00 0.00 N ATOM 1515 CD2 HIS A 98 3.498 -18.607 14.679 1.00 0.00 C ATOM 1516 CE1 HIS A 98 3.037 -20.738 14.518 1.00 0.00 C ATOM 1517 NE2 HIS A 98 4.009 -19.855 14.430 1.00 0.00 N ATOM 0 H HIS A 98 0.786 -17.233 12.105 1.00 0.00 H new ATOM 0 HA HIS A 98 -0.260 -18.277 13.717 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.596 -16.848 15.656 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.509 -18.151 16.095 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.049 -17.678 14.678 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.138 -21.803 14.373 1.00 0.00 H new ATOM 0 HE2 HIS A 98 4.983 -20.065 14.212 1.00 0.00 H new ATOM 1526 N HIS A 99 -2.175 -16.601 13.979 1.00 0.00 N ATOM 1527 CA HIS A 99 -3.396 -15.865 14.377 1.00 0.00 C ATOM 1528 C HIS A 99 -4.193 -16.699 15.397 1.00 0.00 C ATOM 1529 O HIS A 99 -4.988 -17.568 15.022 1.00 0.00 O ATOM 1530 CB HIS A 99 -4.263 -15.517 13.129 1.00 0.00 C ATOM 1531 CG HIS A 99 -5.452 -14.623 13.410 1.00 0.00 C ATOM 1532 ND1 HIS A 99 -5.466 -13.283 13.108 1.00 0.00 N ATOM 1533 CD2 HIS A 99 -6.670 -14.894 13.944 1.00 0.00 C ATOM 1534 CE1 HIS A 99 -6.632 -12.764 13.446 1.00 0.00 C ATOM 1535 NE2 HIS A 99 -7.381 -13.724 13.953 1.00 0.00 N ATOM 0 H HIS A 99 -2.312 -17.221 13.180 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.109 -14.924 14.847 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.629 -15.031 12.388 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.621 -16.445 12.683 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.015 -15.855 14.297 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.923 -11.731 13.328 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -8.335 -13.613 14.296 1.00 0.00 H new ATOM 1544 N HIS A 100 -3.915 -16.464 16.689 1.00 0.00 N ATOM 1545 CA HIS A 100 -4.699 -17.026 17.814 1.00 0.00 C ATOM 1546 C HIS A 100 -5.380 -15.855 18.534 1.00 0.00 C ATOM 1547 O HIS A 100 -6.608 -15.769 18.585 1.00 0.00 O ATOM 1548 CB HIS A 100 -3.796 -17.824 18.808 1.00 0.00 C ATOM 1549 CG HIS A 100 -3.091 -19.030 18.232 1.00 0.00 C ATOM 1550 ND1 HIS A 100 -3.173 -20.286 18.792 1.00 0.00 N ATOM 1551 CD2 HIS A 100 -2.245 -19.151 17.181 1.00 0.00 C ATOM 1552 CE1 HIS A 100 -2.423 -21.125 18.112 1.00 0.00 C ATOM 1553 NE2 HIS A 100 -1.849 -20.462 17.130 1.00 0.00 N ATOM 0 H HIS A 100 -3.137 -15.877 16.990 1.00 0.00 H new ATOM 0 HA HIS A 100 -5.437 -17.729 17.428 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -3.044 -17.146 19.211 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -4.412 -18.152 19.646 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -1.940 -18.362 16.509 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -2.299 -22.177 18.323 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -1.211 -20.861 16.441 1.00 0.00 H new ATOM 1562 N HIS A 101 -4.544 -14.954 19.081 1.00 0.00 N ATOM 1563 CA HIS A 101 -4.960 -13.684 19.696 1.00 0.00 C ATOM 1564 C HIS A 101 -3.775 -12.708 19.594 1.00 0.00 C ATOM 1565 O HIS A 101 -3.780 -11.837 18.701 1.00 0.00 O ATOM 1566 CB HIS A 101 -5.405 -13.862 21.185 1.00 0.00 C ATOM 1567 CG HIS A 101 -6.815 -14.364 21.358 1.00 0.00 C ATOM 1568 ND1 HIS A 101 -7.137 -15.540 21.997 1.00 0.00 N ATOM 1569 CD2 HIS A 101 -7.992 -13.822 20.964 1.00 0.00 C ATOM 1570 CE1 HIS A 101 -8.446 -15.699 21.981 1.00 0.00 C ATOM 1571 NE2 HIS A 101 -8.982 -14.671 21.366 1.00 0.00 N ATOM 1572 OXT HIS A 101 -2.813 -12.860 20.375 1.00 0.00 O ATOM 0 H HIS A 101 -3.534 -15.094 19.107 1.00 0.00 H new ATOM 0 HA HIS A 101 -5.830 -13.296 19.167 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -4.722 -14.557 21.675 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -5.308 -12.905 21.697 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.123 -12.892 20.431 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.986 -16.534 22.403 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -9.980 -14.529 21.213 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 13.835 10.252 -1.563 1.00 0.00 P HETATM 1583 O25 PNS A 102 13.314 11.578 -1.917 1.00 0.00 O HETATM 1584 O26 PNS A 102 13.753 9.201 -2.591 1.00 0.00 O HETATM 1585 O27 PNS A 102 15.349 10.399 -1.059 1.00 0.00 O HETATM 1586 C28 PNS A 102 16.055 9.286 -0.498 1.00 0.00 C HETATM 1587 C29 PNS A 102 17.596 9.549 -0.416 1.00 0.00 C HETATM 1588 C30 PNS A 102 17.847 10.852 0.412 1.00 0.00 C HETATM 1589 C31 PNS A 102 18.173 9.737 -1.847 1.00 0.00 C HETATM 1590 C32 PNS A 102 18.343 8.341 0.287 1.00 0.00 C HETATM 1591 O33 PNS A 102 17.833 8.187 1.618 1.00 0.00 O HETATM 1592 C34 PNS A 102 18.241 6.957 -0.461 1.00 0.00 C HETATM 1593 O35 PNS A 102 17.295 6.677 -1.203 1.00 0.00 O HETATM 1594 N36 PNS A 102 19.188 6.031 -0.189 1.00 0.00 N HETATM 1595 C37 PNS A 102 20.311 6.243 0.751 1.00 0.00 C HETATM 1596 C38 PNS A 102 21.235 5.027 0.843 1.00 0.00 C HETATM 1597 C39 PNS A 102 22.214 5.118 2.015 1.00 0.00 C HETATM 1598 O40 PNS A 102 23.440 5.066 1.836 1.00 0.00 O HETATM 1599 N41 PNS A 102 21.639 5.245 3.229 1.00 0.00 N HETATM 1600 C42 PNS A 102 22.393 5.356 4.492 1.00 0.00 C HETATM 1601 C43 PNS A 102 23.040 6.735 4.663 1.00 0.00 C HETATM 1602 S44 PNS A 102 23.969 6.890 6.201 1.00 0.00 S HETATM 0 H432 PNS A 102 23.706 6.925 3.822 1.00 0.00 H new HETATM 0 H431 PNS A 102 22.265 7.500 4.634 1.00 0.00 H new HETATM 0 H422 PNS A 102 23.166 4.588 4.520 1.00 0.00 H new HETATM 0 H421 PNS A 102 21.723 5.165 5.331 1.00 0.00 H new HETATM 0 H382 PNS A 102 21.795 4.930 -0.087 1.00 0.00 H new HETATM 0 H381 PNS A 102 20.632 4.125 0.947 1.00 0.00 H new HETATM 0 H372 PNS A 102 19.914 6.470 1.741 1.00 0.00 H new HETATM 0 H371 PNS A 102 20.888 7.111 0.432 1.00 0.00 H new HETATM 0 H313 PNS A 102 19.246 9.920 -1.786 1.00 0.00 H new HETATM 0 H312 PNS A 102 17.687 10.587 -2.327 1.00 0.00 H new HETATM 0 H311 PNS A 102 17.991 8.837 -2.434 1.00 0.00 H new HETATM 0 H303 PNS A 102 18.918 11.043 0.474 1.00 0.00 H new HETATM 0 H302 PNS A 102 17.442 10.729 1.416 1.00 0.00 H new HETATM 0 H301 PNS A 102 17.356 11.694 -0.077 1.00 0.00 H new HETATM 0 H282 PNS A 102 15.871 8.398 -1.102 1.00 0.00 H new HETATM 0 H281 PNS A 102 15.669 9.078 0.500 1.00 0.00 H new HETATM 0 H44 PNS A 102 24.489 8.079 6.276 1.00 0.00 H new HETATM 0 H41 PNS A 102 20.620 5.266 3.276 1.00 0.00 H new HETATM 0 H36 PNS A 102 19.124 5.129 -0.662 1.00 0.00 H new HETATM 0 H33 PNS A 102 17.890 7.245 1.883 1.00 0.00 H new HETATM 0 H32 PNS A 102 19.400 8.605 0.275 1.00 0.00 H new