USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 717 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.561 (180deg=0.371) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 11 GLN : amide:sc= -0.0136 K(o=-0.014,f=-1.2) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.544 F(o=-1.1,f=-0.54) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 150:sc= -0.158 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0268 USER MOD Single : A 46 HIS : no HE2:sc= -0.878 K(o=-0.88,f=-6.8!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 130:sc= -0.616 USER MOD Single : A 57 ASN : amide:sc= -0.982 K(o=-0.98,f=-6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.19 X(o=-1.2,f=-0.75) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.14) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -0.528 K(o=-0.53,f=-1.5) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.165 3.520 23.123 1.00 0.00 N ATOM 2 CA MET A 1 -17.149 2.891 23.960 1.00 0.00 C ATOM 3 C MET A 1 -15.779 3.576 23.763 1.00 0.00 C ATOM 4 O MET A 1 -15.101 3.332 22.764 1.00 0.00 O ATOM 5 CB MET A 1 -17.049 1.382 23.655 1.00 0.00 C ATOM 6 CG MET A 1 -18.106 0.526 24.370 1.00 0.00 C ATOM 7 SD MET A 1 -19.775 0.693 23.662 1.00 0.00 S ATOM 8 CE MET A 1 -20.688 1.342 25.092 1.00 0.00 C ATOM 0 H1 MET A 1 -18.974 2.875 23.015 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.484 4.404 23.569 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.763 3.730 22.187 1.00 0.00 H new ATOM 0 HA MET A 1 -17.445 3.011 25.002 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.143 1.233 22.579 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.058 1.029 23.940 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.805 -0.521 24.327 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.137 0.806 25.423 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.731 1.498 24.817 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.632 0.628 25.914 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.249 2.290 25.404 1.00 0.00 H new ATOM 19 N LYS A 2 -15.375 4.430 24.723 1.00 0.00 N ATOM 20 CA LYS A 2 -14.090 5.142 24.748 1.00 0.00 C ATOM 21 C LYS A 2 -12.936 4.165 25.059 1.00 0.00 C ATOM 22 O LYS A 2 -11.799 4.395 24.642 1.00 0.00 O ATOM 23 CB LYS A 2 -14.153 6.293 25.777 1.00 0.00 C ATOM 24 CG LYS A 2 -14.712 5.837 27.135 1.00 0.00 C ATOM 25 CD LYS A 2 -14.172 6.672 28.304 1.00 0.00 C ATOM 26 CE LYS A 2 -14.860 8.045 28.327 1.00 0.00 C ATOM 27 NZ LYS A 2 -14.016 9.074 28.957 1.00 0.00 N ATOM 0 H LYS A 2 -15.959 4.649 25.530 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.896 5.572 23.766 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.154 6.705 25.919 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.776 7.096 25.382 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.800 5.904 27.117 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.460 4.789 27.295 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.348 6.152 29.246 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.094 6.797 28.205 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.100 8.347 27.308 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.803 7.969 28.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.517 9.985 28.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.807 8.799 29.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.126 9.166 28.427 1.00 0.00 H new ATOM 41 N LYS A 3 -13.235 3.071 25.785 1.00 0.00 N ATOM 42 CA LYS A 3 -12.337 1.933 26.027 1.00 0.00 C ATOM 43 C LYS A 3 -12.833 0.682 25.271 1.00 0.00 C ATOM 44 O LYS A 3 -13.836 0.744 24.558 1.00 0.00 O ATOM 45 CB LYS A 3 -12.225 1.672 27.545 1.00 0.00 C ATOM 46 CG LYS A 3 -13.469 2.147 28.316 1.00 0.00 C ATOM 47 CD LYS A 3 -13.433 1.742 29.796 1.00 0.00 C ATOM 48 CE LYS A 3 -12.620 2.768 30.599 1.00 0.00 C ATOM 49 NZ LYS A 3 -13.487 3.692 31.351 1.00 0.00 N ATOM 0 H LYS A 3 -14.143 2.954 26.234 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.343 2.170 25.647 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.079 0.606 27.718 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.343 2.181 27.934 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.547 3.232 28.241 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.362 1.731 27.850 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.447 1.680 30.190 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.990 0.752 29.900 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.960 2.246 31.291 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.984 3.338 29.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.899 4.368 31.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.100 4.210 30.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.076 3.152 32.017 1.00 0.00 H new ATOM 63 N ALA A 4 -12.124 -0.453 25.428 1.00 0.00 N ATOM 64 CA ALA A 4 -12.336 -1.703 24.685 1.00 0.00 C ATOM 65 C ALA A 4 -11.884 -1.565 23.215 1.00 0.00 C ATOM 66 O ALA A 4 -12.637 -1.065 22.378 1.00 0.00 O ATOM 67 CB ALA A 4 -13.817 -2.107 24.759 1.00 0.00 C ATOM 0 H ALA A 4 -11.361 -0.523 26.101 1.00 0.00 H new ATOM 0 HA ALA A 4 -11.729 -2.483 25.144 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.969 -3.034 24.207 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.102 -2.254 25.801 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -14.431 -1.320 24.322 1.00 0.00 H new ATOM 73 N THR A 5 -10.653 -2.016 22.906 1.00 0.00 N ATOM 74 CA THR A 5 -10.001 -1.894 21.594 1.00 0.00 C ATOM 75 C THR A 5 -9.780 -0.405 21.249 1.00 0.00 C ATOM 76 O THR A 5 -10.743 0.331 21.028 1.00 0.00 O ATOM 77 CB THR A 5 -10.849 -2.610 20.516 1.00 0.00 C ATOM 78 OG1 THR A 5 -10.411 -3.948 20.362 1.00 0.00 O ATOM 79 CG2 THR A 5 -10.778 -1.924 19.142 1.00 0.00 C ATOM 0 H THR A 5 -10.066 -2.492 23.591 1.00 0.00 H new ATOM 0 HA THR A 5 -9.024 -2.376 21.626 1.00 0.00 H new ATOM 0 HB THR A 5 -11.881 -2.569 20.865 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.955 -4.394 19.679 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.393 -2.473 18.429 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.146 -0.901 19.226 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.745 -1.911 18.795 1.00 0.00 H new ATOM 87 N CYS A 6 -8.506 0.030 21.195 1.00 0.00 N ATOM 88 CA CYS A 6 -8.079 1.377 20.789 1.00 0.00 C ATOM 89 C CYS A 6 -7.600 1.370 19.321 1.00 0.00 C ATOM 90 O CYS A 6 -6.399 1.429 19.056 1.00 0.00 O ATOM 91 CB CYS A 6 -6.974 1.879 21.740 1.00 0.00 C ATOM 92 SG CYS A 6 -7.401 1.579 23.482 1.00 0.00 S ATOM 0 H CYS A 6 -7.720 -0.571 21.442 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.925 2.061 20.855 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.035 1.378 21.504 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.815 2.946 21.583 1.00 0.00 H new ATOM 0 HG CYS A 6 -6.443 2.015 24.245 1.00 0.00 H new ATOM 98 N LEU A 7 -8.550 1.293 18.365 1.00 0.00 N ATOM 99 CA LEU A 7 -8.324 1.117 16.922 1.00 0.00 C ATOM 100 C LEU A 7 -8.181 2.484 16.215 1.00 0.00 C ATOM 101 O LEU A 7 -8.346 2.585 14.999 1.00 0.00 O ATOM 102 CB LEU A 7 -9.496 0.329 16.300 1.00 0.00 C ATOM 103 CG LEU A 7 -9.251 -1.181 16.096 1.00 0.00 C ATOM 104 CD1 LEU A 7 -8.798 -1.429 14.648 1.00 0.00 C ATOM 105 CD2 LEU A 7 -8.185 -1.733 17.056 1.00 0.00 C ATOM 0 H LEU A 7 -9.542 1.355 18.594 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.397 0.560 16.786 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.372 0.454 16.936 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.737 0.773 15.334 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.187 -1.698 16.305 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.624 -2.495 14.499 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.573 -1.088 13.961 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.876 -0.880 14.456 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.048 -2.799 16.874 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.242 -1.213 16.890 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.508 -1.580 18.086 1.00 0.00 H new ATOM 117 N THR A 8 -7.868 3.534 17.004 1.00 0.00 N ATOM 118 CA THR A 8 -7.769 4.938 16.584 1.00 0.00 C ATOM 119 C THR A 8 -6.912 5.071 15.306 1.00 0.00 C ATOM 120 O THR A 8 -6.026 4.250 15.064 1.00 0.00 O ATOM 121 CB THR A 8 -7.191 5.793 17.740 1.00 0.00 C ATOM 122 OG1 THR A 8 -6.084 5.138 18.330 1.00 0.00 O ATOM 123 CG2 THR A 8 -8.217 6.080 18.850 1.00 0.00 C ATOM 0 H THR A 8 -7.669 3.414 17.997 1.00 0.00 H new ATOM 0 HA THR A 8 -8.767 5.307 16.347 1.00 0.00 H new ATOM 0 HB THR A 8 -6.896 6.741 17.291 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.727 5.689 19.057 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.751 6.682 19.630 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.065 6.622 18.431 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.564 5.139 19.277 1.00 0.00 H new ATOM 131 N ASP A 9 -7.174 6.115 14.496 1.00 0.00 N ATOM 132 CA ASP A 9 -6.392 6.499 13.311 1.00 0.00 C ATOM 133 C ASP A 9 -4.934 6.838 13.685 1.00 0.00 C ATOM 134 O ASP A 9 -4.028 6.735 12.854 1.00 0.00 O ATOM 135 CB ASP A 9 -7.078 7.684 12.600 1.00 0.00 C ATOM 136 CG ASP A 9 -8.570 7.441 12.333 1.00 0.00 C ATOM 137 OD1 ASP A 9 -8.871 6.523 11.539 1.00 0.00 O ATOM 138 OD2 ASP A 9 -9.386 8.176 12.931 1.00 0.00 O ATOM 0 H ASP A 9 -7.967 6.736 14.658 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.355 5.652 12.626 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.965 8.581 13.209 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.572 7.875 11.654 1.00 0.00 H new ATOM 143 N ASP A 10 -4.700 7.219 14.957 1.00 0.00 N ATOM 144 CA ASP A 10 -3.381 7.221 15.609 1.00 0.00 C ATOM 145 C ASP A 10 -2.568 5.970 15.216 1.00 0.00 C ATOM 146 O ASP A 10 -1.573 6.054 14.487 1.00 0.00 O ATOM 147 CB ASP A 10 -3.571 7.324 17.139 1.00 0.00 C ATOM 148 CG ASP A 10 -4.030 8.710 17.604 1.00 0.00 C ATOM 149 OD1 ASP A 10 -3.144 9.566 17.815 1.00 0.00 O ATOM 150 OD2 ASP A 10 -5.260 8.891 17.749 1.00 0.00 O ATOM 0 H ASP A 10 -5.446 7.542 15.573 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.810 8.085 15.270 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.303 6.581 17.457 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.631 7.077 17.632 1.00 0.00 H new ATOM 155 N GLN A 11 -2.981 4.788 15.719 1.00 0.00 N ATOM 156 CA GLN A 11 -2.193 3.548 15.674 1.00 0.00 C ATOM 157 C GLN A 11 -2.293 2.881 14.287 1.00 0.00 C ATOM 158 O GLN A 11 -1.421 2.094 13.915 1.00 0.00 O ATOM 159 CB GLN A 11 -2.678 2.596 16.790 1.00 0.00 C ATOM 160 CG GLN A 11 -1.524 1.904 17.540 1.00 0.00 C ATOM 161 CD GLN A 11 -1.906 0.600 18.255 1.00 0.00 C ATOM 162 OE1 GLN A 11 -3.075 0.217 18.249 1.00 0.00 O ATOM 163 NE2 GLN A 11 -0.946 -0.088 18.882 1.00 0.00 N ATOM 0 H GLN A 11 -3.886 4.671 16.174 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.142 3.784 15.842 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.280 3.159 17.503 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.327 1.836 16.354 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.725 1.691 16.830 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.120 2.599 18.276 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.015 0.252 18.871 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.175 -0.953 19.371 1.00 0.00 H new ATOM 172 N ARG A 12 -3.341 3.210 13.504 1.00 0.00 N ATOM 173 CA ARG A 12 -3.385 3.018 12.045 1.00 0.00 C ATOM 174 C ARG A 12 -2.036 3.448 11.418 1.00 0.00 C ATOM 175 O ARG A 12 -1.326 2.687 10.763 1.00 0.00 O ATOM 176 CB ARG A 12 -4.540 3.843 11.449 1.00 0.00 C ATOM 177 CG ARG A 12 -5.884 3.110 11.316 1.00 0.00 C ATOM 178 CD ARG A 12 -6.230 2.288 12.562 1.00 0.00 C ATOM 179 NE ARG A 12 -7.143 1.184 12.226 1.00 0.00 N ATOM 180 CZ ARG A 12 -8.484 1.267 12.147 1.00 0.00 C ATOM 181 NH1 ARG A 12 -9.126 2.429 12.344 1.00 0.00 N ATOM 182 NH2 ARG A 12 -9.194 0.165 11.867 1.00 0.00 N ATOM 0 H ARG A 12 -4.195 3.624 13.878 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.553 1.964 11.823 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.689 4.726 12.070 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.239 4.194 10.462 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.675 3.838 11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.851 2.452 10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.317 1.889 13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.692 2.932 13.311 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.722 0.275 12.036 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.597 3.274 12.559 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.143 2.467 12.279 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.717 -0.724 11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.211 0.216 11.805 1.00 0.00 H new ATOM 196 N TRP A 13 -1.678 4.737 11.684 1.00 0.00 N ATOM 197 CA TRP A 13 -0.411 5.331 11.246 1.00 0.00 C ATOM 198 C TRP A 13 0.786 4.825 12.075 1.00 0.00 C ATOM 199 O TRP A 13 1.927 4.914 11.591 1.00 0.00 O ATOM 200 CB TRP A 13 -0.475 6.878 11.269 1.00 0.00 C ATOM 201 CG TRP A 13 0.528 7.517 10.342 1.00 0.00 C ATOM 202 CD1 TRP A 13 1.545 8.339 10.685 1.00 0.00 C ATOM 203 CD2 TRP A 13 0.662 7.299 8.900 1.00 0.00 C ATOM 204 NE1 TRP A 13 2.311 8.632 9.577 1.00 0.00 N ATOM 205 CE2 TRP A 13 1.819 8.011 8.447 1.00 0.00 C ATOM 206 CE3 TRP A 13 -0.070 6.572 7.928 1.00 0.00 C ATOM 207 CZ2 TRP A 13 2.247 7.965 7.107 1.00 0.00 C ATOM 208 CZ3 TRP A 13 0.297 6.602 6.562 1.00 0.00 C ATOM 209 CH2 TRP A 13 1.457 7.291 6.153 1.00 0.00 C ATOM 0 H TRP A 13 -2.270 5.381 12.209 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.255 5.010 10.216 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.478 7.200 10.990 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.299 7.230 12.286 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.730 8.712 11.682 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.136 9.231 9.591 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.923 5.985 8.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.171 8.441 6.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -0.314 6.095 5.830 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.740 7.303 5.111 1.00 0.00 H new ATOM 220 N GLN A 14 0.567 4.279 13.290 1.00 0.00 N ATOM 221 CA GLN A 14 1.636 3.662 14.104 1.00 0.00 C ATOM 222 C GLN A 14 2.116 2.348 13.453 1.00 0.00 C ATOM 223 O GLN A 14 3.321 2.149 13.275 1.00 0.00 O ATOM 224 CB GLN A 14 1.142 3.438 15.547 1.00 0.00 C ATOM 225 CG GLN A 14 2.055 4.071 16.617 1.00 0.00 C ATOM 226 CD GLN A 14 1.380 5.121 17.513 1.00 0.00 C ATOM 227 OE1 GLN A 14 1.156 6.246 17.069 1.00 0.00 O ATOM 228 NE2 GLN A 14 1.056 4.787 18.766 1.00 0.00 N ATOM 0 H GLN A 14 -0.352 4.253 13.733 1.00 0.00 H new ATOM 0 HA GLN A 14 2.490 4.338 14.146 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.138 3.851 15.647 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.066 2.367 15.734 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.451 3.277 17.250 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.906 4.535 16.118 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.252 3.847 19.110 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.612 5.472 19.378 1.00 0.00 H new ATOM 237 N SER A 15 1.179 1.442 13.114 1.00 0.00 N ATOM 238 CA SER A 15 1.440 0.194 12.370 1.00 0.00 C ATOM 239 C SER A 15 1.912 0.448 10.917 1.00 0.00 C ATOM 240 O SER A 15 2.591 -0.389 10.321 1.00 0.00 O ATOM 241 CB SER A 15 0.190 -0.706 12.392 1.00 0.00 C ATOM 242 OG SER A 15 0.510 -2.055 12.115 1.00 0.00 O ATOM 0 H SER A 15 0.195 1.560 13.356 1.00 0.00 H new ATOM 0 HA SER A 15 2.261 -0.316 12.874 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.289 -0.639 13.369 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.531 -0.345 11.658 1.00 0.00 H new ATOM 0 HG SER A 15 -0.306 -2.596 12.139 1.00 0.00 H new ATOM 248 N VAL A 16 1.526 1.616 10.361 1.00 0.00 N ATOM 249 CA VAL A 16 1.838 2.074 9.000 1.00 0.00 C ATOM 250 C VAL A 16 3.164 2.866 8.987 1.00 0.00 C ATOM 251 O VAL A 16 3.848 2.901 7.956 1.00 0.00 O ATOM 252 CB VAL A 16 0.668 2.930 8.445 1.00 0.00 C ATOM 253 CG1 VAL A 16 1.137 3.928 7.369 1.00 0.00 C ATOM 254 CG2 VAL A 16 -0.452 2.070 7.828 1.00 0.00 C ATOM 0 H VAL A 16 0.963 2.293 10.876 1.00 0.00 H new ATOM 0 HA VAL A 16 1.962 1.205 8.353 1.00 0.00 H new ATOM 0 HB VAL A 16 0.281 3.469 9.310 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.284 4.504 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.877 4.604 7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.582 3.383 6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.245 2.718 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.047 1.482 7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.857 1.401 8.587 1.00 0.00 H new ATOM 264 N LEU A 17 3.533 3.511 10.110 1.00 0.00 N ATOM 265 CA LEU A 17 4.854 4.113 10.347 1.00 0.00 C ATOM 266 C LEU A 17 5.901 3.018 10.656 1.00 0.00 C ATOM 267 O LEU A 17 7.032 3.075 10.173 1.00 0.00 O ATOM 268 CB LEU A 17 4.792 5.113 11.522 1.00 0.00 C ATOM 269 CG LEU A 17 4.389 6.554 11.144 1.00 0.00 C ATOM 270 CD1 LEU A 17 4.680 7.489 12.328 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.146 7.060 9.905 1.00 0.00 C ATOM 0 H LEU A 17 2.899 3.630 10.900 1.00 0.00 H new ATOM 0 HA LEU A 17 5.149 4.645 9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.083 4.737 12.260 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.769 5.142 12.004 1.00 0.00 H new ATOM 0 HG LEU A 17 3.325 6.550 10.907 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.397 8.508 12.065 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.106 7.166 13.197 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.744 7.458 12.564 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.830 8.078 9.676 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.218 7.048 10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.927 6.413 9.056 1.00 0.00 H new ATOM 283 N ALA A 18 5.496 2.018 11.466 1.00 0.00 N ATOM 284 CA ALA A 18 6.266 0.818 11.819 1.00 0.00 C ATOM 285 C ALA A 18 6.512 -0.066 10.576 1.00 0.00 C ATOM 286 O ALA A 18 7.254 -1.047 10.651 1.00 0.00 O ATOM 287 CB ALA A 18 5.531 0.020 12.908 1.00 0.00 C ATOM 0 H ALA A 18 4.578 2.031 11.911 1.00 0.00 H new ATOM 0 HA ALA A 18 7.235 1.133 12.206 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.110 -0.868 13.162 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.410 0.641 13.795 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.550 -0.280 12.539 1.00 0.00 H new ATOM 293 N ARG A 19 5.861 0.280 9.447 1.00 0.00 N ATOM 294 CA ARG A 19 6.061 -0.330 8.124 1.00 0.00 C ATOM 295 C ARG A 19 5.917 -1.868 8.203 1.00 0.00 C ATOM 296 O ARG A 19 6.420 -2.590 7.341 1.00 0.00 O ATOM 297 CB ARG A 19 7.417 0.101 7.529 1.00 0.00 C ATOM 298 CG ARG A 19 8.627 -0.416 8.324 1.00 0.00 C ATOM 299 CD ARG A 19 9.933 -0.189 7.548 1.00 0.00 C ATOM 300 NE ARG A 19 11.111 -0.457 8.389 1.00 0.00 N ATOM 301 CZ ARG A 19 12.093 0.422 8.666 1.00 0.00 C ATOM 302 NH1 ARG A 19 12.077 1.669 8.169 1.00 0.00 N ATOM 303 NH2 ARG A 19 13.109 0.045 9.455 1.00 0.00 N ATOM 0 H ARG A 19 5.157 1.018 9.435 1.00 0.00 H new ATOM 0 HA ARG A 19 5.284 0.029 7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.486 -0.260 6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.457 1.189 7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.679 0.093 9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.503 -1.479 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.955 -0.837 6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.969 0.838 7.186 1.00 0.00 H new ATOM 0 HE ARG A 19 11.190 -1.388 8.797 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.310 1.968 7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.832 2.317 8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.133 -0.900 9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.858 0.703 9.671 1.00 0.00 H new ATOM 317 N ASP A 20 5.206 -2.349 9.245 1.00 0.00 N ATOM 318 CA ASP A 20 4.973 -3.766 9.552 1.00 0.00 C ATOM 319 C ASP A 20 4.361 -4.502 8.334 1.00 0.00 C ATOM 320 O ASP A 20 3.142 -4.456 8.159 1.00 0.00 O ATOM 321 CB ASP A 20 4.062 -3.872 10.796 1.00 0.00 C ATOM 322 CG ASP A 20 3.539 -5.291 11.048 1.00 0.00 C ATOM 323 OD1 ASP A 20 4.270 -6.245 10.700 1.00 0.00 O ATOM 324 OD2 ASP A 20 2.412 -5.400 11.580 1.00 0.00 O ATOM 0 H ASP A 20 4.762 -1.728 9.922 1.00 0.00 H new ATOM 0 HA ASP A 20 5.924 -4.251 9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.616 -3.536 11.673 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.215 -3.197 10.676 1.00 0.00 H new ATOM 329 N PRO A 21 5.171 -5.152 7.463 1.00 0.00 N ATOM 330 CA PRO A 21 4.757 -5.623 6.130 1.00 0.00 C ATOM 331 C PRO A 21 3.648 -6.699 6.183 1.00 0.00 C ATOM 332 O PRO A 21 3.064 -7.038 5.153 1.00 0.00 O ATOM 333 CB PRO A 21 6.025 -6.173 5.455 1.00 0.00 C ATOM 334 CG PRO A 21 7.172 -5.546 6.242 1.00 0.00 C ATOM 335 CD PRO A 21 6.587 -5.446 7.653 1.00 0.00 C ATOM 0 HA PRO A 21 4.321 -4.798 5.567 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.060 -7.262 5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.067 -5.896 4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.068 -6.166 6.217 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.449 -4.569 5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.725 -6.377 8.203 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.078 -4.661 8.228 1.00 0.00 H new ATOM 343 N ASN A 22 3.374 -7.243 7.385 1.00 0.00 N ATOM 344 CA ASN A 22 2.504 -8.401 7.643 1.00 0.00 C ATOM 345 C ASN A 22 1.066 -7.951 7.980 1.00 0.00 C ATOM 346 O ASN A 22 0.272 -8.737 8.501 1.00 0.00 O ATOM 347 CB ASN A 22 3.088 -9.234 8.804 1.00 0.00 C ATOM 348 CG ASN A 22 2.321 -10.534 9.076 1.00 0.00 C ATOM 349 OD1 ASN A 22 1.815 -11.179 8.022 1.00 0.00 O flip ATOM 350 ND2 ASN A 22 2.185 -10.952 10.225 1.00 0.00 N flip ATOM 0 H ASN A 22 3.775 -6.866 8.244 1.00 0.00 H new ATOM 0 HA ASN A 22 2.461 -9.012 6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.127 -9.476 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.090 -8.627 9.710 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.585 -10.433 11.007 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.672 -11.817 10.396 1.00 0.00 H new ATOM 357 N ALA A 23 0.729 -6.682 7.675 1.00 0.00 N ATOM 358 CA ALA A 23 -0.604 -6.086 7.846 1.00 0.00 C ATOM 359 C ALA A 23 -1.270 -5.813 6.479 1.00 0.00 C ATOM 360 O ALA A 23 -2.107 -4.917 6.362 1.00 0.00 O ATOM 361 CB ALA A 23 -0.494 -4.789 8.663 1.00 0.00 C ATOM 0 H ALA A 23 1.405 -6.023 7.289 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.233 -6.794 8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.485 -4.352 8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.071 -5.011 9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.151 -4.083 8.140 1.00 0.00 H new ATOM 367 N ASP A 24 -0.880 -6.584 5.445 1.00 0.00 N ATOM 368 CA ASP A 24 -1.509 -6.620 4.116 1.00 0.00 C ATOM 369 C ASP A 24 -2.887 -7.318 4.149 1.00 0.00 C ATOM 370 O ASP A 24 -3.517 -7.485 3.098 1.00 0.00 O ATOM 371 CB ASP A 24 -0.548 -7.315 3.124 1.00 0.00 C ATOM 372 CG ASP A 24 -0.841 -8.808 2.941 1.00 0.00 C ATOM 373 OD1 ASP A 24 -0.683 -9.552 3.936 1.00 0.00 O ATOM 374 OD2 ASP A 24 -1.223 -9.184 1.812 1.00 0.00 O ATOM 0 H ASP A 24 -0.088 -7.222 5.519 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.692 -5.598 3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.614 -6.818 2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.476 -7.193 3.476 1.00 0.00 H new ATOM 379 N GLY A 25 -3.370 -7.713 5.343 1.00 0.00 N ATOM 380 CA GLY A 25 -4.725 -8.224 5.589 1.00 0.00 C ATOM 381 C GLY A 25 -5.542 -7.276 6.492 1.00 0.00 C ATOM 382 O GLY A 25 -6.760 -7.169 6.342 1.00 0.00 O ATOM 0 H GLY A 25 -2.804 -7.682 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.242 -8.355 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.663 -9.207 6.056 1.00 0.00 H new ATOM 386 N GLU A 26 -4.867 -6.603 7.444 1.00 0.00 N ATOM 387 CA GLU A 26 -5.463 -5.890 8.585 1.00 0.00 C ATOM 388 C GLU A 26 -6.199 -4.617 8.114 1.00 0.00 C ATOM 389 O GLU A 26 -7.186 -4.209 8.730 1.00 0.00 O ATOM 390 CB GLU A 26 -4.364 -5.557 9.619 1.00 0.00 C ATOM 391 CG GLU A 26 -4.572 -6.295 10.956 1.00 0.00 C ATOM 392 CD GLU A 26 -3.321 -6.358 11.841 1.00 0.00 C ATOM 393 OE1 GLU A 26 -2.512 -7.295 11.662 1.00 0.00 O ATOM 394 OE2 GLU A 26 -3.198 -5.454 12.697 1.00 0.00 O ATOM 0 H GLU A 26 -3.849 -6.540 7.436 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.203 -6.533 9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.390 -5.823 9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.352 -4.482 9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.371 -5.802 11.510 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.908 -7.311 10.749 1.00 0.00 H new ATOM 401 N PHE A 27 -5.730 -3.997 7.012 1.00 0.00 N ATOM 402 CA PHE A 27 -6.268 -2.754 6.443 1.00 0.00 C ATOM 403 C PHE A 27 -5.546 -2.365 5.130 1.00 0.00 C ATOM 404 O PHE A 27 -4.638 -3.060 4.675 1.00 0.00 O ATOM 405 CB PHE A 27 -6.134 -1.600 7.459 1.00 0.00 C ATOM 406 CG PHE A 27 -4.751 -1.434 8.076 1.00 0.00 C ATOM 407 CD1 PHE A 27 -3.731 -0.775 7.348 1.00 0.00 C ATOM 408 CD2 PHE A 27 -4.470 -1.940 9.367 1.00 0.00 C ATOM 409 CE1 PHE A 27 -2.468 -0.558 7.938 1.00 0.00 C ATOM 410 CE2 PHE A 27 -3.204 -1.728 9.952 1.00 0.00 C ATOM 411 CZ PHE A 27 -2.204 -1.034 9.239 1.00 0.00 C ATOM 0 H PHE A 27 -4.941 -4.363 6.480 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.320 -2.929 6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.407 -0.668 6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.855 -1.758 8.261 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.920 -0.438 6.340 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.227 -2.490 9.906 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.702 -0.027 7.393 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.000 -2.097 10.946 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.237 -0.867 9.689 1.00 0.00 H new ATOM 421 N VAL A 28 -5.949 -1.213 4.551 1.00 0.00 N ATOM 422 CA VAL A 28 -5.194 -0.427 3.564 1.00 0.00 C ATOM 423 C VAL A 28 -5.261 1.070 3.938 1.00 0.00 C ATOM 424 O VAL A 28 -6.060 1.452 4.801 1.00 0.00 O ATOM 425 CB VAL A 28 -5.719 -0.667 2.121 1.00 0.00 C ATOM 426 CG1 VAL A 28 -5.937 -2.167 1.837 1.00 0.00 C ATOM 427 CG2 VAL A 28 -7.038 0.072 1.820 1.00 0.00 C ATOM 0 H VAL A 28 -6.851 -0.791 4.772 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.154 -0.753 3.581 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.940 -0.267 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.304 -2.295 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.993 -2.700 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.668 -2.568 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.348 -0.139 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.811 -0.267 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.889 1.145 1.940 1.00 0.00 H new ATOM 437 N PHE A 29 -4.423 1.928 3.316 1.00 0.00 N ATOM 438 CA PHE A 29 -4.420 3.388 3.511 1.00 0.00 C ATOM 439 C PHE A 29 -4.342 4.131 2.157 1.00 0.00 C ATOM 440 O PHE A 29 -3.710 3.657 1.212 1.00 0.00 O ATOM 441 CB PHE A 29 -3.256 3.817 4.433 1.00 0.00 C ATOM 442 CG PHE A 29 -1.855 3.786 3.836 1.00 0.00 C ATOM 443 CD1 PHE A 29 -1.416 4.827 2.984 1.00 0.00 C ATOM 444 CD2 PHE A 29 -0.970 2.733 4.161 1.00 0.00 C ATOM 445 CE1 PHE A 29 -0.074 4.870 2.552 1.00 0.00 C ATOM 446 CE2 PHE A 29 0.374 2.778 3.731 1.00 0.00 C ATOM 447 CZ PHE A 29 0.828 3.860 2.949 1.00 0.00 C ATOM 0 H PHE A 29 -3.716 1.615 2.651 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.359 3.661 3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.454 4.831 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.264 3.172 5.312 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.110 5.590 2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.323 1.892 4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.263 5.676 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.054 1.984 4.001 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.865 3.916 2.654 1.00 0.00 H new ATOM 457 N ALA A 30 -5.027 5.291 2.067 1.00 0.00 N ATOM 458 CA ALA A 30 -5.431 5.969 0.827 1.00 0.00 C ATOM 459 C ALA A 30 -5.005 7.455 0.823 1.00 0.00 C ATOM 460 O ALA A 30 -5.634 8.276 1.497 1.00 0.00 O ATOM 461 CB ALA A 30 -6.954 5.850 0.647 1.00 0.00 C ATOM 0 H ALA A 30 -5.325 5.800 2.899 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.925 5.482 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.252 6.353 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.233 4.798 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.458 6.315 1.494 1.00 0.00 H new ATOM 467 N VAL A 31 -3.959 7.807 0.052 1.00 0.00 N ATOM 468 CA VAL A 31 -3.419 9.168 -0.085 1.00 0.00 C ATOM 469 C VAL A 31 -4.201 9.945 -1.167 1.00 0.00 C ATOM 470 O VAL A 31 -4.099 9.632 -2.354 1.00 0.00 O ATOM 471 CB VAL A 31 -1.905 9.109 -0.416 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.342 10.491 -0.800 1.00 0.00 C ATOM 473 CG2 VAL A 31 -1.067 8.572 0.759 1.00 0.00 C ATOM 0 H VAL A 31 -3.450 7.126 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.537 9.698 0.860 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.827 8.427 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.279 10.402 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.867 10.867 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.481 11.184 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.015 8.551 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.197 9.221 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.396 7.563 1.009 1.00 0.00 H new ATOM 483 N ARG A 32 -4.974 10.967 -0.751 1.00 0.00 N ATOM 484 CA ARG A 32 -5.991 11.661 -1.555 1.00 0.00 C ATOM 485 C ARG A 32 -5.350 12.490 -2.690 1.00 0.00 C ATOM 486 O ARG A 32 -6.057 12.942 -3.597 1.00 0.00 O ATOM 487 CB ARG A 32 -6.849 12.549 -0.630 1.00 0.00 C ATOM 488 CG ARG A 32 -7.694 11.731 0.360 1.00 0.00 C ATOM 489 CD ARG A 32 -9.182 11.741 -0.016 1.00 0.00 C ATOM 490 NE ARG A 32 -10.023 11.450 1.156 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.414 12.339 2.088 1.00 0.00 C ATOM 492 NH1 ARG A 32 -10.047 13.628 2.022 1.00 0.00 N ATOM 493 NH2 ARG A 32 -11.185 11.929 3.105 1.00 0.00 N ATOM 0 H ARG A 32 -4.902 11.345 0.194 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.630 10.918 -2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.198 13.224 -0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.508 13.170 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.332 10.703 0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.570 12.136 1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.450 12.714 -0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.369 11.002 -0.795 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.338 10.487 1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.459 13.952 1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.356 14.284 2.740 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.470 10.952 3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.487 12.594 3.817 1.00 0.00 H new ATOM 507 N THR A 33 -4.022 12.707 -2.638 1.00 0.00 N ATOM 508 CA THR A 33 -3.285 13.686 -3.451 1.00 0.00 C ATOM 509 C THR A 33 -2.666 13.011 -4.694 1.00 0.00 C ATOM 510 O THR A 33 -2.493 13.658 -5.729 1.00 0.00 O ATOM 511 CB THR A 33 -2.202 14.377 -2.587 1.00 0.00 C ATOM 512 OG1 THR A 33 -1.644 15.477 -3.282 1.00 0.00 O ATOM 513 CG2 THR A 33 -1.051 13.435 -2.194 1.00 0.00 C ATOM 0 H THR A 33 -3.414 12.186 -2.006 1.00 0.00 H new ATOM 0 HA THR A 33 -3.980 14.447 -3.806 1.00 0.00 H new ATOM 0 HB THR A 33 -2.709 14.700 -1.678 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.962 15.905 -2.723 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.325 13.979 -1.590 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.446 12.597 -1.619 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.564 13.060 -3.094 1.00 0.00 H new ATOM 521 N THR A 34 -2.322 11.714 -4.585 1.00 0.00 N ATOM 522 CA THR A 34 -1.959 10.824 -5.697 1.00 0.00 C ATOM 523 C THR A 34 -3.134 9.895 -6.077 1.00 0.00 C ATOM 524 O THR A 34 -3.073 9.210 -7.101 1.00 0.00 O ATOM 525 CB THR A 34 -0.699 10.004 -5.324 1.00 0.00 C ATOM 526 OG1 THR A 34 -0.224 9.294 -6.453 1.00 0.00 O ATOM 527 CG2 THR A 34 -0.952 8.988 -4.197 1.00 0.00 C ATOM 0 H THR A 34 -2.289 11.241 -3.682 1.00 0.00 H new ATOM 0 HA THR A 34 -1.734 11.435 -6.571 1.00 0.00 H new ATOM 0 HB THR A 34 0.037 10.728 -4.974 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.748 9.187 -6.387 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.031 8.446 -3.982 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.281 9.513 -3.300 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.724 8.284 -4.508 1.00 0.00 H new ATOM 535 N GLY A 35 -4.201 9.890 -5.263 1.00 0.00 N ATOM 536 CA GLY A 35 -5.387 8.987 -5.365 1.00 0.00 C ATOM 537 C GLY A 35 -4.901 7.541 -5.594 1.00 0.00 C ATOM 538 O GLY A 35 -5.523 6.747 -6.296 1.00 0.00 O ATOM 0 H GLY A 35 -4.276 10.538 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.983 9.044 -4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.030 9.302 -6.187 1.00 0.00 H new ATOM 542 N ILE A 36 -3.740 7.218 -4.961 1.00 0.00 N ATOM 543 CA ILE A 36 -3.200 5.863 -4.796 1.00 0.00 C ATOM 544 C ILE A 36 -3.606 5.299 -3.415 1.00 0.00 C ATOM 545 O ILE A 36 -3.912 6.064 -2.499 1.00 0.00 O ATOM 546 CB ILE A 36 -1.654 5.872 -4.961 1.00 0.00 C ATOM 547 CG1 ILE A 36 -1.207 6.278 -6.386 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.060 4.494 -4.605 1.00 0.00 C ATOM 549 CD1 ILE A 36 0.317 6.302 -6.573 1.00 0.00 C ATOM 0 H ILE A 36 -3.142 7.929 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.617 5.217 -5.569 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.275 6.625 -4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.641 5.583 -7.105 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.608 7.265 -6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.023 4.522 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.302 4.250 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.480 3.735 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.553 6.595 -7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.757 7.018 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.723 5.310 -6.377 1.00 0.00 H new ATOM 561 N PHE A 37 -3.589 3.959 -3.266 1.00 0.00 N ATOM 562 CA PHE A 37 -3.783 3.235 -2.001 1.00 0.00 C ATOM 563 C PHE A 37 -2.728 2.117 -1.833 1.00 0.00 C ATOM 564 O PHE A 37 -2.265 1.539 -2.817 1.00 0.00 O ATOM 565 CB PHE A 37 -5.208 2.647 -1.945 1.00 0.00 C ATOM 566 CG PHE A 37 -5.495 1.526 -2.935 1.00 0.00 C ATOM 567 CD1 PHE A 37 -5.207 0.184 -2.587 1.00 0.00 C ATOM 568 CD2 PHE A 37 -6.063 1.810 -4.198 1.00 0.00 C ATOM 569 CE1 PHE A 37 -5.447 -0.854 -3.510 1.00 0.00 C ATOM 570 CE2 PHE A 37 -6.323 0.765 -5.112 1.00 0.00 C ATOM 571 CZ PHE A 37 -6.040 -0.570 -4.758 1.00 0.00 C ATOM 0 H PHE A 37 -3.434 3.331 -4.055 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.657 3.939 -1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.388 2.273 -0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.922 3.453 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.803 -0.045 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.299 2.830 -4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.176 -1.869 -3.261 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.739 0.989 -6.083 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.277 -1.373 -5.440 1.00 0.00 H new ATOM 581 N CYS A 38 -2.338 1.829 -0.576 1.00 0.00 N ATOM 582 CA CYS A 38 -1.175 1.032 -0.164 1.00 0.00 C ATOM 583 C CYS A 38 -1.564 -0.011 0.912 1.00 0.00 C ATOM 584 O CYS A 38 -2.686 -0.015 1.417 1.00 0.00 O ATOM 585 CB CYS A 38 -0.067 1.969 0.371 1.00 0.00 C ATOM 586 SG CYS A 38 0.639 3.048 -0.908 1.00 0.00 S ATOM 0 H CYS A 38 -2.864 2.171 0.228 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.802 0.490 -1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.477 2.585 1.171 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.729 1.367 0.809 1.00 0.00 H new ATOM 591 N ARG A 39 -0.593 -0.865 1.288 1.00 0.00 N ATOM 592 CA ARG A 39 -0.526 -1.628 2.542 1.00 0.00 C ATOM 593 C ARG A 39 0.301 -0.834 3.584 1.00 0.00 C ATOM 594 O ARG A 39 1.166 -0.046 3.163 1.00 0.00 O ATOM 595 CB ARG A 39 0.129 -3.000 2.249 1.00 0.00 C ATOM 596 CG ARG A 39 0.469 -3.806 3.508 1.00 0.00 C ATOM 597 CD ARG A 39 1.579 -4.839 3.304 1.00 0.00 C ATOM 598 NE ARG A 39 1.504 -5.385 1.941 1.00 0.00 N ATOM 599 CZ ARG A 39 2.542 -5.746 1.166 1.00 0.00 C ATOM 600 NH1 ARG A 39 3.808 -5.633 1.598 1.00 0.00 N ATOM 601 NH2 ARG A 39 2.300 -6.228 -0.062 1.00 0.00 N ATOM 0 H ARG A 39 0.211 -1.049 0.688 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.525 -1.788 2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.544 -3.587 1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.041 -2.841 1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.768 -3.117 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.430 -4.317 3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.553 -4.378 3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.480 -5.642 4.034 1.00 0.00 H new ATOM 0 HE ARG A 39 0.572 -5.502 1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.998 -5.267 2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.580 -5.913 0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.340 -6.316 -0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.076 -6.506 -0.663 1.00 0.00 H new ATOM 615 N PRO A 40 0.074 -0.952 4.911 1.00 0.00 N ATOM 616 CA PRO A 40 0.769 -0.165 5.947 1.00 0.00 C ATOM 617 C PRO A 40 2.294 -0.014 5.745 1.00 0.00 C ATOM 618 O PRO A 40 2.901 0.924 6.265 1.00 0.00 O ATOM 619 CB PRO A 40 0.440 -0.849 7.288 1.00 0.00 C ATOM 620 CG PRO A 40 -0.204 -2.181 6.912 1.00 0.00 C ATOM 621 CD PRO A 40 -0.854 -1.867 5.564 1.00 0.00 C ATOM 0 HA PRO A 40 0.415 0.865 5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.340 -1.001 7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.238 -0.239 7.885 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.534 -2.979 6.830 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.938 -2.500 7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.999 -2.772 4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.835 -1.410 5.694 1.00 0.00 H new ATOM 629 N SER A 41 2.910 -0.952 5.002 1.00 0.00 N ATOM 630 CA SER A 41 4.358 -1.198 4.915 1.00 0.00 C ATOM 631 C SER A 41 5.078 -0.216 3.970 1.00 0.00 C ATOM 632 O SER A 41 6.265 -0.413 3.670 1.00 0.00 O ATOM 633 CB SER A 41 4.594 -2.659 4.470 1.00 0.00 C ATOM 634 OG SER A 41 5.077 -2.742 3.145 1.00 0.00 O ATOM 0 H SER A 41 2.379 -1.594 4.414 1.00 0.00 H new ATOM 0 HA SER A 41 4.786 -1.032 5.904 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.307 -3.132 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.661 -3.217 4.550 1.00 0.00 H new ATOM 0 HG SER A 41 5.214 -3.682 2.905 1.00 0.00 H new ATOM 640 N CYS A 42 4.389 0.830 3.458 1.00 0.00 N ATOM 641 CA CYS A 42 4.827 1.582 2.264 1.00 0.00 C ATOM 642 C CYS A 42 6.267 2.110 2.460 1.00 0.00 C ATOM 643 O CYS A 42 6.476 3.103 3.158 1.00 0.00 O ATOM 644 CB CYS A 42 3.829 2.714 1.946 1.00 0.00 C ATOM 645 SG CYS A 42 3.982 3.315 0.228 1.00 0.00 S ATOM 0 H CYS A 42 3.517 1.174 3.861 1.00 0.00 H new ATOM 0 HA CYS A 42 4.841 0.913 1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.813 2.357 2.114 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.993 3.543 2.634 1.00 0.00 H new ATOM 650 N ARG A 43 7.257 1.415 1.866 1.00 0.00 N ATOM 651 CA ARG A 43 8.687 1.485 2.207 1.00 0.00 C ATOM 652 C ARG A 43 9.284 2.862 1.845 1.00 0.00 C ATOM 653 O ARG A 43 9.925 3.498 2.687 1.00 0.00 O ATOM 654 CB ARG A 43 9.436 0.334 1.500 1.00 0.00 C ATOM 655 CG ARG A 43 10.059 0.757 0.159 1.00 0.00 C ATOM 656 CD ARG A 43 11.459 0.159 -0.039 1.00 0.00 C ATOM 657 NE ARG A 43 11.433 -0.923 -1.036 1.00 0.00 N ATOM 658 CZ ARG A 43 11.319 -2.237 -0.771 1.00 0.00 C ATOM 659 NH1 ARG A 43 11.236 -2.692 0.489 1.00 0.00 N ATOM 660 NH2 ARG A 43 11.289 -3.113 -1.786 1.00 0.00 N ATOM 0 H ARG A 43 7.072 0.763 1.104 1.00 0.00 H new ATOM 0 HA ARG A 43 8.804 1.369 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.221 -0.039 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.745 -0.491 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.411 0.440 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.120 1.844 0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.149 0.939 -0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.832 -0.225 0.910 1.00 0.00 H new ATOM 0 HE ARG A 43 11.508 -0.652 -2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.259 -2.037 1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.150 -3.693 0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.352 -2.781 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.203 -4.111 -1.596 1.00 0.00 H new ATOM 674 N ALA A 44 9.082 3.322 0.595 1.00 0.00 N ATOM 675 CA ALA A 44 9.395 4.679 0.126 1.00 0.00 C ATOM 676 C ALA A 44 8.578 5.737 0.902 1.00 0.00 C ATOM 677 O ALA A 44 7.368 5.574 1.077 1.00 0.00 O ATOM 678 CB ALA A 44 9.124 4.784 -1.383 1.00 0.00 C ATOM 0 H ALA A 44 8.683 2.736 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 44 10.451 4.875 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.358 5.792 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.748 4.066 -1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.074 4.568 -1.580 1.00 0.00 H new ATOM 684 N ARG A 45 9.248 6.804 1.378 1.00 0.00 N ATOM 685 CA ARG A 45 8.685 7.859 2.233 1.00 0.00 C ATOM 686 C ARG A 45 7.277 8.268 1.750 1.00 0.00 C ATOM 687 O ARG A 45 7.105 8.651 0.591 1.00 0.00 O ATOM 688 CB ARG A 45 9.649 9.064 2.261 1.00 0.00 C ATOM 689 CG ARG A 45 8.930 10.405 2.040 1.00 0.00 C ATOM 690 CD ARG A 45 9.920 11.564 1.864 1.00 0.00 C ATOM 691 NE ARG A 45 9.445 12.511 0.843 1.00 0.00 N ATOM 692 CZ ARG A 45 9.136 13.805 1.049 1.00 0.00 C ATOM 693 NH1 ARG A 45 9.233 14.363 2.266 1.00 0.00 N ATOM 694 NH2 ARG A 45 8.724 14.555 0.016 1.00 0.00 N ATOM 0 H ARG A 45 10.234 6.958 1.168 1.00 0.00 H new ATOM 0 HA ARG A 45 8.574 7.479 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.166 9.088 3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.410 8.933 1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.294 10.334 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.277 10.611 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.051 12.083 2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.896 11.173 1.577 1.00 0.00 H new ATOM 0 HE ARG A 45 9.340 12.155 -0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.547 13.804 3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.993 15.346 2.397 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.647 14.144 -0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.487 15.537 0.161 1.00 0.00 H new ATOM 708 N HIS A 46 6.265 8.161 2.636 1.00 0.00 N ATOM 709 CA HIS A 46 4.835 8.159 2.289 1.00 0.00 C ATOM 710 C HIS A 46 4.199 9.546 2.529 1.00 0.00 C ATOM 711 O HIS A 46 4.604 10.267 3.442 1.00 0.00 O ATOM 712 CB HIS A 46 4.077 7.052 3.063 1.00 0.00 C ATOM 713 CG HIS A 46 4.866 6.410 4.177 1.00 0.00 C ATOM 714 ND1 HIS A 46 4.450 6.499 5.508 1.00 0.00 N ATOM 715 CD2 HIS A 46 6.021 5.674 4.123 1.00 0.00 C ATOM 716 CE1 HIS A 46 5.362 5.808 6.198 1.00 0.00 C ATOM 717 NE2 HIS A 46 6.324 5.293 5.414 1.00 0.00 N ATOM 0 H HIS A 46 6.428 8.071 3.639 1.00 0.00 H new ATOM 0 HA HIS A 46 4.751 7.938 1.225 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.165 7.479 3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.773 6.278 2.358 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.630 6.985 5.873 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.588 5.437 3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.329 5.678 7.270 1.00 0.00 H new ATOM 725 N ALA A 47 3.185 9.901 1.715 1.00 0.00 N ATOM 726 CA ALA A 47 2.232 10.992 1.963 1.00 0.00 C ATOM 727 C ALA A 47 1.704 10.951 3.414 1.00 0.00 C ATOM 728 O ALA A 47 1.451 9.872 3.952 1.00 0.00 O ATOM 729 CB ALA A 47 1.070 10.906 0.961 1.00 0.00 C ATOM 0 H ALA A 47 3.004 9.416 0.836 1.00 0.00 H new ATOM 0 HA ALA A 47 2.749 11.942 1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.366 11.717 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.458 10.990 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.560 9.949 1.076 1.00 0.00 H new ATOM 735 N LEU A 48 1.561 12.130 4.048 1.00 0.00 N ATOM 736 CA LEU A 48 1.398 12.306 5.498 1.00 0.00 C ATOM 737 C LEU A 48 0.134 11.574 6.004 1.00 0.00 C ATOM 738 O LEU A 48 -0.782 11.306 5.226 1.00 0.00 O ATOM 739 CB LEU A 48 1.305 13.809 5.840 1.00 0.00 C ATOM 740 CG LEU A 48 2.642 14.581 5.819 1.00 0.00 C ATOM 741 CD1 LEU A 48 2.397 16.003 5.290 1.00 0.00 C ATOM 742 CD2 LEU A 48 3.285 14.668 7.213 1.00 0.00 C ATOM 0 H LEU A 48 1.556 13.017 3.544 1.00 0.00 H new ATOM 0 HA LEU A 48 2.268 11.875 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.622 14.282 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.862 13.911 6.831 1.00 0.00 H new ATOM 0 HG LEU A 48 3.327 14.037 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.338 16.552 5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.990 15.950 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.689 16.516 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.223 15.220 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.608 15.183 7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.481 13.663 7.587 1.00 0.00 H new ATOM 754 N ARG A 49 0.087 11.277 7.316 1.00 0.00 N ATOM 755 CA ARG A 49 -1.113 10.911 8.082 1.00 0.00 C ATOM 756 C ARG A 49 -2.343 11.709 7.598 1.00 0.00 C ATOM 757 O ARG A 49 -3.401 11.142 7.322 1.00 0.00 O ATOM 758 CB ARG A 49 -0.840 11.152 9.584 1.00 0.00 C ATOM 759 CG ARG A 49 -2.123 11.204 10.427 1.00 0.00 C ATOM 760 CD ARG A 49 -2.983 9.948 10.236 1.00 0.00 C ATOM 761 NE ARG A 49 -3.673 9.595 11.487 1.00 0.00 N ATOM 762 CZ ARG A 49 -4.624 10.328 12.094 1.00 0.00 C ATOM 763 NH1 ARG A 49 -5.145 11.419 11.511 1.00 0.00 N ATOM 764 NH2 ARG A 49 -5.059 9.964 13.309 1.00 0.00 N ATOM 0 H ARG A 49 0.926 11.287 7.896 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.338 9.856 7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.195 10.359 9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.296 12.089 9.703 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.862 11.309 11.480 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.702 12.086 10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.715 10.119 9.447 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.355 9.117 9.914 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.407 8.717 11.933 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.821 11.708 10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.865 11.959 11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.669 9.139 13.764 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.780 10.513 13.778 1.00 0.00 H new ATOM 778 N GLU A 50 -2.187 13.053 7.518 1.00 0.00 N ATOM 779 CA GLU A 50 -3.260 14.041 7.405 1.00 0.00 C ATOM 780 C GLU A 50 -3.927 14.008 6.020 1.00 0.00 C ATOM 781 O GLU A 50 -5.045 14.496 5.848 1.00 0.00 O ATOM 782 CB GLU A 50 -2.684 15.440 7.695 1.00 0.00 C ATOM 783 CG GLU A 50 -3.786 16.504 7.769 1.00 0.00 C ATOM 784 CD GLU A 50 -3.541 17.595 8.822 1.00 0.00 C ATOM 785 OE1 GLU A 50 -2.802 18.544 8.478 1.00 0.00 O ATOM 786 OE2 GLU A 50 -4.086 17.472 9.942 1.00 0.00 O ATOM 0 H GLU A 50 -1.263 13.486 7.532 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.033 13.798 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.135 15.419 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.971 15.708 6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.886 16.975 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.735 16.013 7.985 1.00 0.00 H new ATOM 793 N ASN A 51 -3.235 13.418 5.022 1.00 0.00 N ATOM 794 CA ASN A 51 -3.686 13.238 3.636 1.00 0.00 C ATOM 795 C ASN A 51 -4.177 11.793 3.395 1.00 0.00 C ATOM 796 O ASN A 51 -4.935 11.544 2.457 1.00 0.00 O ATOM 797 CB ASN A 51 -2.534 13.575 2.668 1.00 0.00 C ATOM 798 CG ASN A 51 -2.115 15.055 2.700 1.00 0.00 C ATOM 799 OD1 ASN A 51 -2.950 15.955 2.717 1.00 0.00 O ATOM 800 ND2 ASN A 51 -0.797 15.293 2.721 1.00 0.00 N ATOM 0 H ASN A 51 -2.301 13.037 5.174 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.522 13.913 3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.671 12.956 2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.835 13.313 1.654 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.452 16.253 2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.138 14.515 2.706 1.00 0.00 H new ATOM 807 N VAL A 52 -3.752 10.848 4.255 1.00 0.00 N ATOM 808 CA VAL A 52 -4.034 9.408 4.160 1.00 0.00 C ATOM 809 C VAL A 52 -5.222 9.034 5.073 1.00 0.00 C ATOM 810 O VAL A 52 -5.385 9.614 6.148 1.00 0.00 O ATOM 811 CB VAL A 52 -2.764 8.595 4.526 1.00 0.00 C ATOM 812 CG1 VAL A 52 -2.889 7.919 5.905 1.00 0.00 C ATOM 813 CG2 VAL A 52 -2.447 7.498 3.494 1.00 0.00 C ATOM 0 H VAL A 52 -3.180 11.079 5.067 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.311 9.163 3.135 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.956 9.326 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.978 7.361 6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.038 8.680 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.740 7.237 5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.549 6.960 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.284 6.802 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.283 7.954 2.517 1.00 0.00 H new ATOM 823 N SER A 53 -6.057 8.069 4.637 1.00 0.00 N ATOM 824 CA SER A 53 -7.151 7.466 5.412 1.00 0.00 C ATOM 825 C SER A 53 -7.231 5.937 5.198 1.00 0.00 C ATOM 826 O SER A 53 -6.756 5.430 4.182 1.00 0.00 O ATOM 827 CB SER A 53 -8.488 8.136 5.045 1.00 0.00 C ATOM 828 OG SER A 53 -9.098 7.502 3.937 1.00 0.00 O ATOM 0 H SER A 53 -5.982 7.676 3.699 1.00 0.00 H new ATOM 0 HA SER A 53 -6.945 7.634 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.161 8.101 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.318 9.188 4.816 1.00 0.00 H new ATOM 0 HG SER A 53 -9.945 7.949 3.730 1.00 0.00 H new ATOM 834 N PHE A 54 -7.816 5.221 6.178 1.00 0.00 N ATOM 835 CA PHE A 54 -7.659 3.775 6.401 1.00 0.00 C ATOM 836 C PHE A 54 -8.953 2.983 6.100 1.00 0.00 C ATOM 837 O PHE A 54 -10.049 3.371 6.505 1.00 0.00 O ATOM 838 CB PHE A 54 -7.216 3.527 7.859 1.00 0.00 C ATOM 839 CG PHE A 54 -5.966 4.290 8.281 1.00 0.00 C ATOM 840 CD1 PHE A 54 -4.690 3.836 7.869 1.00 0.00 C ATOM 841 CD2 PHE A 54 -6.072 5.471 9.049 1.00 0.00 C ATOM 842 CE1 PHE A 54 -3.545 4.621 8.116 1.00 0.00 C ATOM 843 CE2 PHE A 54 -4.922 6.249 9.313 1.00 0.00 C ATOM 844 CZ PHE A 54 -3.661 5.826 8.844 1.00 0.00 C ATOM 0 H PHE A 54 -8.436 5.654 6.863 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.898 3.416 5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.035 3.800 8.525 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -7.037 2.460 7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.593 2.886 7.364 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.032 5.780 9.435 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.581 4.301 7.749 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.009 7.168 9.874 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.783 6.424 9.042 1.00 0.00 H new ATOM 854 N TYR A 55 -8.811 1.856 5.377 1.00 0.00 N ATOM 855 CA TYR A 55 -9.834 0.879 4.992 1.00 0.00 C ATOM 856 C TYR A 55 -9.568 -0.523 5.607 1.00 0.00 C ATOM 857 O TYR A 55 -8.607 -0.737 6.343 1.00 0.00 O ATOM 858 CB TYR A 55 -9.870 0.738 3.451 1.00 0.00 C ATOM 859 CG TYR A 55 -10.188 2.016 2.693 1.00 0.00 C ATOM 860 CD1 TYR A 55 -10.529 3.194 3.400 1.00 0.00 C ATOM 861 CD2 TYR A 55 -10.165 2.035 1.280 1.00 0.00 C ATOM 862 CE1 TYR A 55 -10.783 4.393 2.703 1.00 0.00 C ATOM 863 CE2 TYR A 55 -10.467 3.223 0.582 1.00 0.00 C ATOM 864 CZ TYR A 55 -10.761 4.408 1.291 1.00 0.00 C ATOM 865 OH TYR A 55 -11.024 5.560 0.607 1.00 0.00 O ATOM 0 H TYR A 55 -7.895 1.587 5.018 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.787 1.247 5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.903 0.365 3.113 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.612 -0.016 3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.595 3.174 4.478 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.916 1.138 0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.994 5.300 3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.473 3.226 -0.498 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.320 5.714 -0.058 1.00 0.00 H new ATOM 875 N ALA A 56 -10.455 -1.481 5.240 1.00 0.00 N ATOM 876 CA ALA A 56 -10.343 -2.919 5.509 1.00 0.00 C ATOM 877 C ALA A 56 -9.387 -3.597 4.498 1.00 0.00 C ATOM 878 O ALA A 56 -8.574 -4.441 4.876 1.00 0.00 O ATOM 879 CB ALA A 56 -11.734 -3.572 5.455 1.00 0.00 C ATOM 0 H ALA A 56 -11.305 -1.251 4.725 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.927 -3.053 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.643 -4.639 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.380 -3.116 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.167 -3.424 4.466 1.00 0.00 H new ATOM 885 N ASN A 57 -9.490 -3.198 3.215 1.00 0.00 N ATOM 886 CA ASN A 57 -8.786 -3.772 2.061 1.00 0.00 C ATOM 887 C ASN A 57 -8.941 -2.875 0.813 1.00 0.00 C ATOM 888 O ASN A 57 -9.607 -1.841 0.855 1.00 0.00 O ATOM 889 CB ASN A 57 -9.329 -5.188 1.766 1.00 0.00 C ATOM 890 CG ASN A 57 -10.796 -5.212 1.318 1.00 0.00 C ATOM 891 OD1 ASN A 57 -11.232 -4.390 0.515 1.00 0.00 O ATOM 892 ND2 ASN A 57 -11.571 -6.174 1.835 1.00 0.00 N ATOM 0 H ASN A 57 -10.100 -2.426 2.946 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.725 -3.835 2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.715 -5.647 0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.223 -5.801 2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.552 -6.239 1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.180 -6.842 2.499 1.00 0.00 H new ATOM 899 N ALA A 58 -8.293 -3.283 -0.301 1.00 0.00 N ATOM 900 CA ALA A 58 -8.059 -2.463 -1.496 1.00 0.00 C ATOM 901 C ALA A 58 -9.288 -2.436 -2.432 1.00 0.00 C ATOM 902 O ALA A 58 -9.313 -1.661 -3.391 1.00 0.00 O ATOM 903 CB ALA A 58 -6.828 -2.998 -2.248 1.00 0.00 C ATOM 0 H ALA A 58 -7.909 -4.224 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.881 -1.438 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.652 -2.391 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.955 -2.951 -1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.004 -4.032 -2.545 1.00 0.00 H new ATOM 909 N SER A 59 -10.309 -3.264 -2.143 1.00 0.00 N ATOM 910 CA SER A 59 -11.669 -3.172 -2.698 1.00 0.00 C ATOM 911 C SER A 59 -12.400 -1.906 -2.198 1.00 0.00 C ATOM 912 O SER A 59 -13.150 -1.286 -2.953 1.00 0.00 O ATOM 913 CB SER A 59 -12.470 -4.445 -2.365 1.00 0.00 C ATOM 914 OG SER A 59 -13.216 -4.899 -3.477 1.00 0.00 O ATOM 0 H SER A 59 -10.204 -4.043 -1.493 1.00 0.00 H new ATOM 0 HA SER A 59 -11.587 -3.090 -3.782 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.787 -5.230 -2.040 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.144 -4.244 -1.532 1.00 0.00 H new ATOM 0 HG SER A 59 -13.710 -5.709 -3.231 1.00 0.00 H new ATOM 920 N GLU A 60 -12.160 -1.522 -0.931 1.00 0.00 N ATOM 921 CA GLU A 60 -12.557 -0.243 -0.312 1.00 0.00 C ATOM 922 C GLU A 60 -11.796 0.927 -0.973 1.00 0.00 C ATOM 923 O GLU A 60 -12.367 1.983 -1.243 1.00 0.00 O ATOM 924 CB GLU A 60 -12.301 -0.288 1.210 1.00 0.00 C ATOM 925 CG GLU A 60 -12.951 0.890 1.960 1.00 0.00 C ATOM 926 CD GLU A 60 -14.484 0.886 1.929 1.00 0.00 C ATOM 927 OE1 GLU A 60 -15.093 0.092 2.681 1.00 0.00 O ATOM 928 OE2 GLU A 60 -15.027 1.695 1.144 1.00 0.00 O ATOM 0 H GLU A 60 -11.659 -2.125 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.624 -0.084 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.687 -1.225 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.227 -0.281 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.620 0.872 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.592 1.824 1.527 1.00 0.00 H new ATOM 935 N ALA A 61 -10.489 0.708 -1.245 1.00 0.00 N ATOM 936 CA ALA A 61 -9.584 1.607 -1.973 1.00 0.00 C ATOM 937 C ALA A 61 -9.957 1.677 -3.471 1.00 0.00 C ATOM 938 O ALA A 61 -9.758 2.710 -4.112 1.00 0.00 O ATOM 939 CB ALA A 61 -8.132 1.137 -1.795 1.00 0.00 C ATOM 0 H ALA A 61 -10.020 -0.146 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.685 2.611 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.464 1.807 -2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.874 1.145 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.027 0.125 -2.186 1.00 0.00 H new ATOM 945 N LEU A 62 -10.518 0.580 -4.011 1.00 0.00 N ATOM 946 CA LEU A 62 -11.172 0.495 -5.330 1.00 0.00 C ATOM 947 C LEU A 62 -12.535 1.220 -5.308 1.00 0.00 C ATOM 948 O LEU A 62 -12.909 1.887 -6.273 1.00 0.00 O ATOM 949 CB LEU A 62 -11.360 -0.985 -5.723 1.00 0.00 C ATOM 950 CG LEU A 62 -10.444 -1.513 -6.850 1.00 0.00 C ATOM 951 CD1 LEU A 62 -10.750 -3.000 -7.093 1.00 0.00 C ATOM 952 CD2 LEU A 62 -10.628 -0.744 -8.168 1.00 0.00 C ATOM 0 H LEU A 62 -10.528 -0.312 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.537 0.984 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.200 -1.598 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.396 -1.130 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.413 -1.371 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.107 -3.379 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.567 -3.563 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.794 -3.114 -7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.961 -1.156 -8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.661 -0.839 -8.504 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.393 0.309 -8.011 1.00 0.00 H new ATOM 964 N ALA A 63 -13.272 1.084 -4.184 1.00 0.00 N ATOM 965 CA ALA A 63 -14.533 1.775 -3.883 1.00 0.00 C ATOM 966 C ALA A 63 -14.339 3.306 -3.818 1.00 0.00 C ATOM 967 O ALA A 63 -15.282 4.060 -4.074 1.00 0.00 O ATOM 968 CB ALA A 63 -15.114 1.254 -2.557 1.00 0.00 C ATOM 0 H ALA A 63 -12.986 0.459 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 63 -15.234 1.564 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.049 1.771 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.302 0.183 -2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.403 1.438 -1.751 1.00 0.00 H new ATOM 974 N ALA A 64 -13.124 3.768 -3.464 1.00 0.00 N ATOM 975 CA ALA A 64 -12.712 5.180 -3.482 1.00 0.00 C ATOM 976 C ALA A 64 -12.311 5.636 -4.903 1.00 0.00 C ATOM 977 O ALA A 64 -12.209 6.834 -5.167 1.00 0.00 O ATOM 978 CB ALA A 64 -11.549 5.396 -2.501 1.00 0.00 C ATOM 0 H ALA A 64 -12.380 3.146 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.563 5.786 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.248 6.443 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.868 5.127 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.705 4.771 -2.794 1.00 0.00 H new ATOM 984 N GLY A 65 -12.104 4.668 -5.818 1.00 0.00 N ATOM 985 CA GLY A 65 -11.731 4.880 -7.223 1.00 0.00 C ATOM 986 C GLY A 65 -10.232 5.210 -7.380 1.00 0.00 C ATOM 987 O GLY A 65 -9.864 6.063 -8.189 1.00 0.00 O ATOM 0 H GLY A 65 -12.197 3.679 -5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.968 3.986 -7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.327 5.693 -7.637 1.00 0.00 H new ATOM 991 N PHE A 66 -9.368 4.532 -6.599 1.00 0.00 N ATOM 992 CA PHE A 66 -7.915 4.745 -6.542 1.00 0.00 C ATOM 993 C PHE A 66 -7.165 3.636 -7.312 1.00 0.00 C ATOM 994 O PHE A 66 -7.721 2.561 -7.550 1.00 0.00 O ATOM 995 CB PHE A 66 -7.441 4.789 -5.075 1.00 0.00 C ATOM 996 CG PHE A 66 -7.877 6.011 -4.276 1.00 0.00 C ATOM 997 CD1 PHE A 66 -8.735 6.972 -4.857 1.00 0.00 C ATOM 998 CD2 PHE A 66 -7.403 6.206 -2.956 1.00 0.00 C ATOM 999 CE1 PHE A 66 -9.121 8.115 -4.123 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -7.816 7.331 -2.213 1.00 0.00 C ATOM 1001 CZ PHE A 66 -8.658 8.297 -2.804 1.00 0.00 C ATOM 0 H PHE A 66 -9.679 3.793 -5.968 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.691 5.701 -7.016 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.807 3.896 -4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.352 4.739 -5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.096 6.832 -5.865 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.723 5.491 -2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.772 8.850 -4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.488 7.453 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.948 9.175 -2.246 1.00 0.00 H new ATOM 1011 N ARG A 67 -5.904 3.900 -7.706 1.00 0.00 N ATOM 1012 CA ARG A 67 -4.993 2.949 -8.358 1.00 0.00 C ATOM 1013 C ARG A 67 -4.052 2.272 -7.328 1.00 0.00 C ATOM 1014 O ARG A 67 -3.684 2.910 -6.340 1.00 0.00 O ATOM 1015 CB ARG A 67 -4.171 3.692 -9.436 1.00 0.00 C ATOM 1016 CG ARG A 67 -2.756 3.123 -9.583 1.00 0.00 C ATOM 1017 CD ARG A 67 -2.608 2.091 -10.707 1.00 0.00 C ATOM 1018 NE ARG A 67 -2.744 2.761 -12.010 1.00 0.00 N ATOM 1019 CZ ARG A 67 -3.589 2.424 -12.997 1.00 0.00 C ATOM 1020 NH1 ARG A 67 -4.435 1.389 -12.871 1.00 0.00 N ATOM 1021 NH2 ARG A 67 -3.582 3.142 -14.129 1.00 0.00 N ATOM 0 H ARG A 67 -5.479 4.818 -7.572 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.584 2.161 -8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.688 3.626 -10.393 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.110 4.749 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.063 3.944 -9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.462 2.662 -8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.637 1.600 -10.638 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.366 1.315 -10.604 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.135 3.562 -12.180 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.445 0.840 -12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.068 1.152 -13.635 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.942 3.930 -14.229 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.217 2.901 -14.890 1.00 0.00 H new ATOM 1035 N PRO A 68 -3.661 0.988 -7.521 1.00 0.00 N ATOM 1036 CA PRO A 68 -2.630 0.295 -6.731 1.00 0.00 C ATOM 1037 C PRO A 68 -1.214 0.905 -6.825 1.00 0.00 C ATOM 1038 O PRO A 68 -0.613 0.915 -7.901 1.00 0.00 O ATOM 1039 CB PRO A 68 -2.646 -1.168 -7.216 1.00 0.00 C ATOM 1040 CG PRO A 68 -3.181 -1.062 -8.648 1.00 0.00 C ATOM 1041 CD PRO A 68 -4.199 0.063 -8.515 1.00 0.00 C ATOM 0 HA PRO A 68 -2.869 0.392 -5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.650 -1.610 -7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.287 -1.791 -6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.394 -0.820 -9.362 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.640 -1.992 -8.983 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.351 0.565 -9.471 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.168 -0.325 -8.201 1.00 0.00 H new ATOM 1049 N CYS A 69 -0.682 1.399 -5.692 1.00 0.00 N ATOM 1050 CA CYS A 69 0.678 1.935 -5.522 1.00 0.00 C ATOM 1051 C CYS A 69 1.709 1.063 -6.269 1.00 0.00 C ATOM 1052 O CYS A 69 1.497 -0.143 -6.432 1.00 0.00 O ATOM 1053 CB CYS A 69 0.964 2.050 -4.004 1.00 0.00 C ATOM 1054 SG CYS A 69 2.694 2.460 -3.603 1.00 0.00 S ATOM 0 H CYS A 69 -1.219 1.436 -4.826 1.00 0.00 H new ATOM 0 HA CYS A 69 0.761 2.928 -5.964 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.313 2.814 -3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.704 1.107 -3.524 1.00 0.00 H new ATOM 1059 N LYS A 70 2.827 1.663 -6.722 1.00 0.00 N ATOM 1060 CA LYS A 70 3.889 1.014 -7.504 1.00 0.00 C ATOM 1061 C LYS A 70 4.913 0.333 -6.568 1.00 0.00 C ATOM 1062 O LYS A 70 6.030 0.030 -6.989 1.00 0.00 O ATOM 1063 CB LYS A 70 4.566 2.052 -8.425 1.00 0.00 C ATOM 1064 CG LYS A 70 4.783 1.523 -9.853 1.00 0.00 C ATOM 1065 CD LYS A 70 4.547 2.599 -10.921 1.00 0.00 C ATOM 1066 CE LYS A 70 5.082 3.952 -10.427 1.00 0.00 C ATOM 1067 NZ LYS A 70 5.669 4.745 -11.520 1.00 0.00 N ATOM 0 H LYS A 70 3.019 2.649 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 70 3.451 0.236 -8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.953 2.952 -8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.527 2.339 -7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.800 1.141 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.110 0.684 -10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.045 2.318 -11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.482 2.678 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.271 4.516 -9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.834 3.785 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.018 5.650 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.459 4.219 -11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.945 4.927 -12.244 1.00 0.00 H new ATOM 1081 N ARG A 71 4.533 0.121 -5.295 1.00 0.00 N ATOM 1082 CA ARG A 71 5.401 -0.272 -4.174 1.00 0.00 C ATOM 1083 C ARG A 71 4.732 -1.362 -3.311 1.00 0.00 C ATOM 1084 O ARG A 71 5.353 -2.373 -2.982 1.00 0.00 O ATOM 1085 CB ARG A 71 5.716 0.993 -3.343 1.00 0.00 C ATOM 1086 CG ARG A 71 7.175 1.067 -2.876 1.00 0.00 C ATOM 1087 CD ARG A 71 7.830 2.397 -3.274 1.00 0.00 C ATOM 1088 NE ARG A 71 8.541 2.272 -4.555 1.00 0.00 N ATOM 1089 CZ ARG A 71 8.975 3.291 -5.319 1.00 0.00 C ATOM 1090 NH1 ARG A 71 8.824 4.568 -4.933 1.00 0.00 N ATOM 1091 NH2 ARG A 71 9.571 3.027 -6.490 1.00 0.00 N ATOM 0 H ARG A 71 3.560 0.225 -5.007 1.00 0.00 H new ATOM 0 HA ARG A 71 6.329 -0.701 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.488 1.877 -3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.062 1.019 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.217 0.950 -1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.738 0.240 -3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.068 3.173 -3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.527 2.710 -2.496 1.00 0.00 H new ATOM 0 HE ARG A 71 8.722 1.327 -4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.372 4.782 -4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.161 5.324 -5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.692 2.061 -6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.904 3.792 -7.077 1.00 0.00 H new ATOM 1105 N CYS A 72 3.453 -1.139 -2.932 1.00 0.00 N ATOM 1106 CA CYS A 72 2.641 -2.037 -2.099 1.00 0.00 C ATOM 1107 C CYS A 72 1.669 -2.870 -2.962 1.00 0.00 C ATOM 1108 O CYS A 72 1.875 -4.070 -3.146 1.00 0.00 O ATOM 1109 CB CYS A 72 1.894 -1.217 -1.024 1.00 0.00 C ATOM 1110 SG CYS A 72 2.951 0.084 -0.325 1.00 0.00 S ATOM 0 H CYS A 72 2.946 -0.299 -3.210 1.00 0.00 H new ATOM 0 HA CYS A 72 3.299 -2.744 -1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.003 -0.767 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.557 -1.881 -0.228 1.00 0.00 H new ATOM 1115 N GLN A 73 0.594 -2.232 -3.461 1.00 0.00 N ATOM 1116 CA GLN A 73 -0.627 -2.886 -3.957 1.00 0.00 C ATOM 1117 C GLN A 73 -0.406 -3.433 -5.391 1.00 0.00 C ATOM 1118 O GLN A 73 0.218 -2.750 -6.204 1.00 0.00 O ATOM 1119 CB GLN A 73 -1.760 -1.840 -3.923 1.00 0.00 C ATOM 1120 CG GLN A 73 -2.960 -2.204 -3.028 1.00 0.00 C ATOM 1121 CD GLN A 73 -2.711 -3.231 -1.915 1.00 0.00 C ATOM 1122 OE1 GLN A 73 -3.475 -4.185 -1.787 1.00 0.00 O ATOM 1123 NE2 GLN A 73 -1.661 -3.058 -1.104 1.00 0.00 N ATOM 0 H GLN A 73 0.552 -1.215 -3.531 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.890 -3.738 -3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.347 -0.891 -3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.120 -1.684 -4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.330 -1.288 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.757 -2.583 -3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.043 -2.257 -1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.478 -3.727 -0.356 1.00 0.00 H new ATOM 1132 N PRO A 74 -0.865 -4.667 -5.709 1.00 0.00 N ATOM 1133 CA PRO A 74 -0.486 -5.463 -6.887 1.00 0.00 C ATOM 1134 C PRO A 74 -0.162 -4.628 -8.147 1.00 0.00 C ATOM 1135 O PRO A 74 -1.041 -4.377 -8.972 1.00 0.00 O ATOM 1136 CB PRO A 74 -1.686 -6.395 -7.128 1.00 0.00 C ATOM 1137 CG PRO A 74 -2.212 -6.675 -5.720 1.00 0.00 C ATOM 1138 CD PRO A 74 -1.788 -5.461 -4.894 1.00 0.00 C ATOM 0 HA PRO A 74 0.444 -5.997 -6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.443 -5.920 -7.752 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.386 -7.313 -7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.295 -6.795 -5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.790 -7.595 -5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.658 -4.867 -4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.306 -5.777 -3.969 1.00 0.00 H new ATOM 1146 N ASP A 75 1.110 -4.202 -8.281 1.00 0.00 N ATOM 1147 CA ASP A 75 1.623 -3.319 -9.337 1.00 0.00 C ATOM 1148 C ASP A 75 3.131 -3.553 -9.574 1.00 0.00 C ATOM 1149 O ASP A 75 3.516 -4.090 -10.616 1.00 0.00 O ATOM 1150 CB ASP A 75 1.326 -1.849 -8.961 1.00 0.00 C ATOM 1151 CG ASP A 75 1.222 -0.921 -10.176 1.00 0.00 C ATOM 1152 OD1 ASP A 75 2.213 -0.854 -10.936 1.00 0.00 O ATOM 1153 OD2 ASP A 75 0.149 -0.297 -10.331 1.00 0.00 O ATOM 0 H ASP A 75 1.838 -4.480 -7.623 1.00 0.00 H new ATOM 0 HA ASP A 75 1.118 -3.549 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.393 -1.806 -8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.113 -1.484 -8.300 1.00 0.00 H new ATOM 1158 N LYS A 76 3.981 -3.171 -8.602 1.00 0.00 N ATOM 1159 CA LYS A 76 5.386 -3.593 -8.487 1.00 0.00 C ATOM 1160 C LYS A 76 5.579 -4.495 -7.249 1.00 0.00 C ATOM 1161 O LYS A 76 6.694 -4.603 -6.731 1.00 0.00 O ATOM 1162 CB LYS A 76 6.293 -2.344 -8.429 1.00 0.00 C ATOM 1163 CG LYS A 76 7.586 -2.490 -9.250 1.00 0.00 C ATOM 1164 CD LYS A 76 7.883 -1.229 -10.077 1.00 0.00 C ATOM 1165 CE LYS A 76 9.040 -1.485 -11.055 1.00 0.00 C ATOM 1166 NZ LYS A 76 8.572 -1.579 -12.449 1.00 0.00 N ATOM 0 H LYS A 76 3.698 -2.540 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 76 5.665 -4.180 -9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.735 -1.482 -8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.552 -2.140 -7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.422 -2.690 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.499 -3.349 -9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.992 -0.931 -10.629 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.137 -0.403 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.771 -0.681 -10.971 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.550 -2.409 -10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.383 -1.752 -13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.894 -2.363 -12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.108 -0.689 -12.720 1.00 0.00 H new ATOM 1180 N ALA A 77 4.503 -5.158 -6.786 1.00 0.00 N ATOM 1181 CA ALA A 77 4.535 -6.281 -5.838 1.00 0.00 C ATOM 1182 C ALA A 77 4.634 -7.635 -6.574 1.00 0.00 C ATOM 1183 O ALA A 77 3.802 -7.939 -7.431 1.00 0.00 O ATOM 1184 CB ALA A 77 3.284 -6.244 -4.945 1.00 0.00 C ATOM 0 H ALA A 77 3.555 -4.916 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 77 5.424 -6.179 -5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.312 -7.078 -4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.260 -5.306 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.391 -6.322 -5.566 1.00 0.00 H new ATOM 1190 N ASN A 78 5.664 -8.439 -6.246 1.00 0.00 N ATOM 1191 CA ASN A 78 5.850 -9.822 -6.711 1.00 0.00 C ATOM 1192 C ASN A 78 6.020 -9.872 -8.250 1.00 0.00 C ATOM 1193 O ASN A 78 5.096 -10.306 -8.941 1.00 0.00 O ATOM 1194 CB ASN A 78 4.639 -10.682 -6.291 1.00 0.00 C ATOM 1195 CG ASN A 78 4.738 -11.207 -4.854 1.00 0.00 C ATOM 1196 OD1 ASN A 78 5.581 -10.759 -4.079 1.00 0.00 O ATOM 1197 ND2 ASN A 78 3.874 -12.158 -4.491 1.00 0.00 N ATOM 0 H ASN A 78 6.414 -8.130 -5.628 1.00 0.00 H new ATOM 0 HA ASN A 78 6.756 -10.219 -6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.729 -10.090 -6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.548 -11.527 -6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.900 -12.536 -3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.188 -12.506 -5.161 1.00 0.00 H new ATOM 1204 N PRO A 79 7.174 -9.436 -8.816 1.00 0.00 N ATOM 1205 CA PRO A 79 7.420 -9.387 -10.267 1.00 0.00 C ATOM 1206 C PRO A 79 7.137 -10.738 -10.964 1.00 0.00 C ATOM 1207 O PRO A 79 6.745 -10.758 -12.130 1.00 0.00 O ATOM 1208 CB PRO A 79 8.895 -8.981 -10.415 1.00 0.00 C ATOM 1209 CG PRO A 79 9.155 -8.153 -9.157 1.00 0.00 C ATOM 1210 CD PRO A 79 8.329 -8.897 -8.107 1.00 0.00 C ATOM 0 HA PRO A 79 6.748 -8.678 -10.750 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.549 -9.851 -10.467 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.064 -8.400 -11.322 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.214 -8.126 -8.899 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.829 -7.120 -9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.911 -9.695 -7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.018 -8.225 -7.307 1.00 0.00 H new ATOM 1218 N ARG A 80 7.360 -11.853 -10.247 1.00 0.00 N ATOM 1219 CA ARG A 80 7.501 -13.238 -10.729 1.00 0.00 C ATOM 1220 C ARG A 80 6.990 -13.430 -12.175 1.00 0.00 C ATOM 1221 O ARG A 80 7.693 -13.068 -13.124 1.00 0.00 O ATOM 1222 CB ARG A 80 6.763 -14.179 -9.749 1.00 0.00 C ATOM 1223 CG ARG A 80 6.662 -15.621 -10.268 1.00 0.00 C ATOM 1224 CD ARG A 80 7.305 -16.618 -9.295 1.00 0.00 C ATOM 1225 NE ARG A 80 6.372 -16.974 -8.215 1.00 0.00 N ATOM 1226 CZ ARG A 80 6.713 -17.463 -7.009 1.00 0.00 C ATOM 1227 NH1 ARG A 80 7.997 -17.551 -6.628 1.00 0.00 N ATOM 1228 NH2 ARG A 80 5.751 -17.873 -6.170 1.00 0.00 N ATOM 0 H ARG A 80 7.454 -11.805 -9.232 1.00 0.00 H new ATOM 0 HA ARG A 80 8.563 -13.482 -10.759 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.283 -14.178 -8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.760 -13.792 -9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.614 -15.882 -10.418 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.150 -15.694 -11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.604 -17.517 -9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.211 -16.185 -8.870 1.00 0.00 H new ATOM 0 HE ARG A 80 5.378 -16.838 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.738 -17.244 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.232 -17.925 -5.709 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.772 -17.813 -6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.999 -18.245 -5.253 1.00 0.00 H new ATOM 1242 N GLN A 81 5.770 -13.975 -12.341 1.00 0.00 N ATOM 1243 CA GLN A 81 5.126 -14.331 -13.615 1.00 0.00 C ATOM 1244 C GLN A 81 6.164 -14.760 -14.675 1.00 0.00 C ATOM 1245 O GLN A 81 6.469 -13.986 -15.588 1.00 0.00 O ATOM 1246 CB GLN A 81 4.282 -13.133 -14.100 1.00 0.00 C ATOM 1247 CG GLN A 81 2.787 -13.265 -13.750 1.00 0.00 C ATOM 1248 CD GLN A 81 1.868 -13.526 -14.953 1.00 0.00 C ATOM 1249 OE1 GLN A 81 1.180 -12.614 -15.407 1.00 0.00 O ATOM 1250 NE2 GLN A 81 1.834 -14.756 -15.474 1.00 0.00 N ATOM 0 H GLN A 81 5.175 -14.190 -11.541 1.00 0.00 H new ATOM 0 HA GLN A 81 4.473 -15.190 -13.459 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.673 -12.217 -13.656 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.389 -13.035 -15.180 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.666 -14.078 -13.034 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.462 -12.351 -13.253 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.416 -15.494 -15.077 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.226 -14.957 -16.268 1.00 0.00 H new ATOM 1259 N HIS A 82 6.696 -15.993 -14.570 1.00 0.00 N ATOM 1260 CA HIS A 82 7.772 -16.529 -15.416 1.00 0.00 C ATOM 1261 C HIS A 82 9.078 -15.726 -15.242 1.00 0.00 C ATOM 1262 O HIS A 82 9.035 -14.529 -14.950 1.00 0.00 O ATOM 1263 CB HIS A 82 7.324 -16.559 -16.899 1.00 0.00 C ATOM 1264 CG HIS A 82 6.996 -17.943 -17.404 1.00 0.00 C ATOM 1265 ND1 HIS A 82 5.997 -18.150 -18.358 1.00 0.00 N ATOM 1266 CD2 HIS A 82 7.536 -19.154 -17.059 1.00 0.00 C ATOM 1267 CE1 HIS A 82 5.974 -19.472 -18.547 1.00 0.00 C ATOM 1268 NE2 HIS A 82 6.877 -20.119 -17.792 1.00 0.00 N ATOM 0 H HIS A 82 6.376 -16.663 -13.870 1.00 0.00 H new ATOM 0 HA HIS A 82 7.978 -17.551 -15.099 1.00 0.00 H new ATOM 0 HB2 HIS A 82 6.448 -15.921 -17.018 1.00 0.00 H new ATOM 0 HB3 HIS A 82 8.115 -16.134 -17.517 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.330 -19.322 -16.346 1.00 0.00 H new ATOM 0 HE1 HIS A 82 5.302 -19.967 -19.233 1.00 0.00 H new ATOM 0 HE2 HIS A 82 7.043 -21.125 -17.766 1.00 0.00 H new ATOM 1276 N ARG A 83 10.240 -16.376 -15.454 1.00 0.00 N ATOM 1277 CA ARG A 83 11.531 -15.723 -15.728 1.00 0.00 C ATOM 1278 C ARG A 83 11.985 -16.010 -17.184 1.00 0.00 C ATOM 1279 O ARG A 83 13.052 -16.571 -17.426 1.00 0.00 O ATOM 1280 CB ARG A 83 12.578 -16.181 -14.695 1.00 0.00 C ATOM 1281 CG ARG A 83 12.102 -15.994 -13.246 1.00 0.00 C ATOM 1282 CD ARG A 83 12.691 -14.724 -12.618 1.00 0.00 C ATOM 1283 NE ARG A 83 13.756 -15.058 -11.661 1.00 0.00 N ATOM 1284 CZ ARG A 83 14.174 -14.282 -10.645 1.00 0.00 C ATOM 1285 NH1 ARG A 83 13.668 -13.054 -10.450 1.00 0.00 N ATOM 1286 NH2 ARG A 83 15.114 -14.744 -9.808 1.00 0.00 N ATOM 0 H ARG A 83 10.306 -17.394 -15.439 1.00 0.00 H new ATOM 0 HA ARG A 83 11.420 -14.643 -15.633 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.813 -17.232 -14.863 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.500 -15.620 -14.845 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.014 -15.940 -13.224 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.391 -16.862 -12.653 1.00 0.00 H new ATOM 0 HD2 ARG A 83 13.089 -14.077 -13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.904 -14.165 -12.112 1.00 0.00 H new ATOM 0 HE ARG A 83 14.219 -15.959 -11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.951 -12.692 -11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.000 -12.483 -9.673 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.505 -15.676 -9.945 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.438 -14.163 -9.034 1.00 0.00 H new ATOM 1300 N LEU A 84 11.123 -15.618 -18.146 1.00 0.00 N ATOM 1301 CA LEU A 84 11.274 -15.793 -19.598 1.00 0.00 C ATOM 1302 C LEU A 84 12.735 -15.579 -20.044 1.00 0.00 C ATOM 1303 O LEU A 84 13.371 -14.604 -19.625 1.00 0.00 O ATOM 1304 CB LEU A 84 10.343 -14.810 -20.345 1.00 0.00 C ATOM 1305 CG LEU A 84 9.974 -15.196 -21.793 1.00 0.00 C ATOM 1306 CD1 LEU A 84 9.983 -13.931 -22.666 1.00 0.00 C ATOM 1307 CD2 LEU A 84 10.947 -16.224 -22.394 1.00 0.00 C ATOM 0 H LEU A 84 10.252 -15.143 -17.911 1.00 0.00 H new ATOM 0 HA LEU A 84 10.996 -16.818 -19.845 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.422 -14.706 -19.772 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.820 -13.830 -20.362 1.00 0.00 H new ATOM 0 HG LEU A 84 8.984 -15.652 -21.770 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.723 -14.195 -23.691 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.256 -13.217 -22.280 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.976 -13.483 -22.647 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.642 -16.461 -23.413 1.00 0.00 H new ATOM 0 HD22 LEU A 84 11.955 -15.809 -22.404 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.935 -17.132 -21.791 1.00 0.00 H new ATOM 1319 N ASP A 85 13.279 -16.481 -20.883 1.00 0.00 N ATOM 1320 CA ASP A 85 14.614 -16.379 -21.492 1.00 0.00 C ATOM 1321 C ASP A 85 14.525 -15.903 -22.958 1.00 0.00 C ATOM 1322 O ASP A 85 13.523 -16.149 -23.633 1.00 0.00 O ATOM 1323 CB ASP A 85 15.327 -17.746 -21.379 1.00 0.00 C ATOM 1324 CG ASP A 85 16.590 -17.701 -20.511 1.00 0.00 C ATOM 1325 OD1 ASP A 85 17.236 -16.630 -20.493 1.00 0.00 O ATOM 1326 OD2 ASP A 85 16.887 -18.736 -19.873 1.00 0.00 O ATOM 0 H ASP A 85 12.783 -17.327 -21.163 1.00 0.00 H new ATOM 0 HA ASP A 85 15.198 -15.631 -20.956 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.634 -18.476 -20.962 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.593 -18.093 -22.378 1.00 0.00 H new ATOM 1331 N LYS A 86 15.573 -15.209 -23.442 1.00 0.00 N ATOM 1332 CA LYS A 86 15.618 -14.508 -24.733 1.00 0.00 C ATOM 1333 C LYS A 86 14.577 -13.368 -24.767 1.00 0.00 C ATOM 1334 O LYS A 86 13.375 -13.621 -24.675 1.00 0.00 O ATOM 1335 CB LYS A 86 15.394 -15.516 -25.881 1.00 0.00 C ATOM 1336 CG LYS A 86 16.503 -15.450 -26.946 1.00 0.00 C ATOM 1337 CD LYS A 86 17.869 -15.889 -26.401 1.00 0.00 C ATOM 1338 CE LYS A 86 18.738 -16.431 -27.546 1.00 0.00 C ATOM 1339 NZ LYS A 86 19.869 -17.232 -27.048 1.00 0.00 N ATOM 0 H LYS A 86 16.445 -15.120 -22.921 1.00 0.00 H new ATOM 0 HA LYS A 86 16.601 -14.055 -24.864 1.00 0.00 H new ATOM 0 HB2 LYS A 86 15.348 -16.525 -25.471 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.431 -15.319 -26.351 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.231 -16.085 -27.789 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.577 -14.431 -27.326 1.00 0.00 H new ATOM 0 HD2 LYS A 86 18.367 -15.046 -25.922 1.00 0.00 H new ATOM 0 HD3 LYS A 86 17.737 -16.656 -25.638 1.00 0.00 H new ATOM 0 HE2 LYS A 86 18.125 -17.042 -28.209 1.00 0.00 H new ATOM 0 HE3 LYS A 86 19.117 -15.599 -28.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 20.430 -17.579 -27.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.469 -16.643 -26.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 19.508 -18.041 -26.503 1.00 0.00 H new ATOM 1353 N ILE A 87 15.045 -12.113 -24.911 1.00 0.00 N ATOM 1354 CA ILE A 87 14.230 -10.922 -25.193 1.00 0.00 C ATOM 1355 C ILE A 87 15.151 -9.683 -25.234 1.00 0.00 C ATOM 1356 O ILE A 87 15.483 -9.121 -24.188 1.00 0.00 O ATOM 1357 CB ILE A 87 13.109 -10.753 -24.131 1.00 0.00 C ATOM 1358 CG1 ILE A 87 12.351 -9.414 -24.283 1.00 0.00 C ATOM 1359 CG2 ILE A 87 13.694 -10.868 -22.708 1.00 0.00 C ATOM 1360 CD1 ILE A 87 11.634 -9.251 -25.631 1.00 0.00 C ATOM 0 H ILE A 87 16.038 -11.896 -24.831 1.00 0.00 H new ATOM 0 HA ILE A 87 13.741 -11.037 -26.160 1.00 0.00 H new ATOM 0 HB ILE A 87 12.391 -11.556 -24.296 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.618 -9.330 -23.481 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.056 -8.593 -24.157 1.00 0.00 H new ATOM 0 HG21 ILE A 87 12.896 -10.747 -21.976 1.00 0.00 H new ATOM 0 HG22 ILE A 87 14.156 -11.847 -22.583 1.00 0.00 H new ATOM 0 HG23 ILE A 87 14.444 -10.091 -22.559 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.126 -8.287 -25.659 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.363 -9.301 -26.439 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.902 -10.050 -25.753 1.00 0.00 H new ATOM 1372 N THR A 88 15.547 -9.250 -26.446 1.00 0.00 N ATOM 1373 CA THR A 88 16.516 -8.174 -26.695 1.00 0.00 C ATOM 1374 C THR A 88 15.807 -6.803 -26.653 1.00 0.00 C ATOM 1375 O THR A 88 16.371 -5.828 -26.152 1.00 0.00 O ATOM 1376 CB THR A 88 17.226 -8.408 -28.050 1.00 0.00 C ATOM 1377 OG1 THR A 88 18.080 -7.319 -28.347 1.00 0.00 O ATOM 1378 CG2 THR A 88 16.244 -8.579 -29.222 1.00 0.00 C ATOM 0 H THR A 88 15.185 -9.657 -27.308 1.00 0.00 H new ATOM 0 HA THR A 88 17.276 -8.179 -25.913 1.00 0.00 H new ATOM 0 HB THR A 88 17.791 -9.334 -27.940 1.00 0.00 H new ATOM 0 HG1 THR A 88 18.526 -7.477 -29.205 1.00 0.00 H new ATOM 0 HG21 THR A 88 16.802 -8.740 -30.144 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.599 -9.437 -29.034 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.634 -7.681 -29.319 1.00 0.00 H new ATOM 1386 N HIS A 89 14.572 -6.732 -27.185 1.00 0.00 N ATOM 1387 CA HIS A 89 13.813 -5.496 -27.425 1.00 0.00 C ATOM 1388 C HIS A 89 13.142 -4.986 -26.131 1.00 0.00 C ATOM 1389 O HIS A 89 12.779 -5.782 -25.264 1.00 0.00 O ATOM 1390 CB HIS A 89 12.776 -5.715 -28.554 1.00 0.00 C ATOM 1391 CG HIS A 89 13.233 -5.193 -29.895 1.00 0.00 C ATOM 1392 ND1 HIS A 89 12.344 -5.059 -30.964 1.00 0.00 N ATOM 1393 CD2 HIS A 89 14.479 -4.796 -30.303 1.00 0.00 C ATOM 1394 CE1 HIS A 89 13.086 -4.582 -31.967 1.00 0.00 C ATOM 1395 NE2 HIS A 89 14.372 -4.405 -31.622 1.00 0.00 N ATOM 0 H HIS A 89 14.059 -7.567 -27.469 1.00 0.00 H new ATOM 0 HA HIS A 89 14.510 -4.723 -27.748 1.00 0.00 H new ATOM 0 HB2 HIS A 89 12.563 -6.780 -28.640 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.842 -5.224 -28.280 1.00 0.00 H new ATOM 0 HD1 HIS A 89 11.348 -5.277 -30.976 1.00 0.00 H new ATOM 0 HD2 HIS A 89 15.378 -4.790 -29.704 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.694 -4.362 -32.949 1.00 0.00 H new ATOM 1403 N ALA A 90 12.983 -3.655 -26.006 1.00 0.00 N ATOM 1404 CA ALA A 90 12.538 -2.957 -24.791 1.00 0.00 C ATOM 1405 C ALA A 90 11.150 -2.314 -25.007 1.00 0.00 C ATOM 1406 O ALA A 90 10.142 -2.838 -24.530 1.00 0.00 O ATOM 1407 CB ALA A 90 13.563 -1.884 -24.387 1.00 0.00 C ATOM 0 H ALA A 90 13.168 -3.015 -26.778 1.00 0.00 H new ATOM 0 HA ALA A 90 12.457 -3.688 -23.986 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.221 -1.375 -23.486 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.526 -2.356 -24.194 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.669 -1.160 -25.195 1.00 0.00 H new ATOM 1413 N CYS A 91 11.103 -1.186 -25.741 1.00 0.00 N ATOM 1414 CA CYS A 91 9.924 -0.325 -25.913 1.00 0.00 C ATOM 1415 C CYS A 91 9.158 -0.713 -27.197 1.00 0.00 C ATOM 1416 O CYS A 91 7.929 -0.641 -27.232 1.00 0.00 O ATOM 1417 CB CYS A 91 10.361 1.153 -25.941 1.00 0.00 C ATOM 1418 SG CYS A 91 9.206 2.212 -25.018 1.00 0.00 S ATOM 0 H CYS A 91 11.917 -0.839 -26.248 1.00 0.00 H new ATOM 0 HA CYS A 91 9.246 -0.465 -25.071 1.00 0.00 H new ATOM 0 HB2 CYS A 91 11.360 1.246 -25.515 1.00 0.00 H new ATOM 0 HB3 CYS A 91 10.422 1.495 -26.974 1.00 0.00 H new ATOM 0 HG CYS A 91 9.614 3.445 -25.067 1.00 0.00 H new ATOM 1424 N ARG A 92 9.892 -1.112 -28.254 1.00 0.00 N ATOM 1425 CA ARG A 92 9.359 -1.503 -29.567 1.00 0.00 C ATOM 1426 C ARG A 92 9.107 -3.019 -29.606 1.00 0.00 C ATOM 1427 O ARG A 92 7.955 -3.452 -29.578 1.00 0.00 O ATOM 1428 CB ARG A 92 10.347 -1.062 -30.685 1.00 0.00 C ATOM 1429 CG ARG A 92 9.699 -0.752 -32.065 1.00 0.00 C ATOM 1430 CD ARG A 92 10.668 -1.016 -33.230 1.00 0.00 C ATOM 1431 NE ARG A 92 9.898 -1.163 -34.500 1.00 0.00 N ATOM 1432 CZ ARG A 92 10.382 -0.958 -35.721 1.00 0.00 C ATOM 1433 NH1 ARG A 92 11.589 -0.525 -35.955 1.00 0.00 N ATOM 1434 NH2 ARG A 92 9.614 -1.200 -36.736 1.00 0.00 N ATOM 1435 OXT ARG A 92 10.210 -3.925 -29.673 1.00 0.00 O ATOM 0 H ARG A 92 10.909 -1.172 -28.212 1.00 0.00 H new ATOM 0 HA ARG A 92 8.405 -1.003 -29.738 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.880 -0.174 -30.345 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.090 -1.848 -30.820 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.805 -1.363 -32.191 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.379 0.290 -32.089 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.379 -0.195 -33.317 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.246 -1.920 -33.037 1.00 0.00 H new ATOM 0 HE ARG A 92 8.920 -1.444 -34.425 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.218 -0.324 -35.178 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.904 -0.387 -36.915 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.664 -1.539 -36.587 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.960 -1.051 -37.684 1.00 0.00 H new TER 1449 ARG A 92 HETATM 1450 ZN ZN A 93 2.788 2.123 -1.266 1.00 0.00 ZN