USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 489 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 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.57) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 25 THR OG1 : rot 112:sc= -3.06! USER MOD Single : A 27 SER OG : rot 172:sc= 1.3 USER MOD Single : A 32 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.72) USER MOD Single : A 33 GLN : amide:sc=-0.00555 X(o=-0.0055,f=-0.16) USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= -0.0974 (180deg=-0.547) USER MOD Single : A 42 THR OG1 : rot 90:sc= -0.493 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -8.700 -14.212 0.489 1.00 99.99 N ATOM 2 CA ARG A 1 -9.878 -14.758 -0.153 1.00 0.00 C ATOM 3 C ARG A 1 -9.917 -14.341 -1.621 1.00 0.00 C ATOM 4 O ARG A 1 -10.098 -15.174 -2.509 1.00 0.00 O ATOM 5 CB ARG A 1 -11.025 -14.099 0.619 1.00 0.00 C ATOM 6 CG ARG A 1 -11.885 -15.086 1.391 1.00 0.00 C ATOM 7 CD ARG A 1 -13.092 -14.406 2.012 1.00 0.00 C ATOM 8 NE ARG A 1 -14.143 -14.149 1.030 1.00 0.00 N ATOM 9 CZ ARG A 1 -14.994 -15.077 0.596 1.00 0.00 C ATOM 10 NH1 ARG A 1 -14.922 -16.320 1.055 1.00 0.00 N ATOM 11 NH2 ARG A 1 -15.920 -14.760 -0.299 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.683 -14.502 1.488 1.00 99.99 H new ATOM 0 H2 ARG A 1 -7.848 -14.568 0.011 1.00 99.99 H new ATOM 0 H3 ARG A 1 -8.722 -13.174 0.430 1.00 99.99 H new ATOM 0 HA ARG A 1 -9.917 -15.847 -0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -10.611 -13.369 1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -11.655 -13.551 -0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -12.217 -15.881 0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -11.288 -15.556 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -13.489 -15.032 2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -12.783 -13.465 2.467 1.00 0.00 H new ATOM 0 HE ARG A 1 -14.230 -13.204 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -14.212 -16.569 1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -15.576 -17.026 0.719 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -15.980 -13.806 -0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -16.572 -15.470 -0.632 1.00 0.00 H new ATOM 27 N ARG A 2 -9.747 -13.046 -1.868 1.00 0.00 N ATOM 28 CA ARG A 2 -9.763 -12.517 -3.226 1.00 0.00 C ATOM 29 C ARG A 2 -8.414 -11.904 -3.588 1.00 0.00 C ATOM 30 O ARG A 2 -7.929 -12.059 -4.708 1.00 0.00 O ATOM 31 CB ARG A 2 -10.868 -11.471 -3.376 1.00 0.00 C ATOM 32 CG ARG A 2 -12.221 -12.063 -3.738 1.00 0.00 C ATOM 33 CD ARG A 2 -13.158 -11.006 -4.303 1.00 0.00 C ATOM 34 NE ARG A 2 -13.971 -11.527 -5.399 1.00 0.00 N ATOM 35 CZ ARG A 2 -15.087 -10.946 -5.836 1.00 0.00 C ATOM 36 NH1 ARG A 2 -15.525 -9.828 -5.271 1.00 0.00 N ATOM 37 NH2 ARG A 2 -15.766 -11.485 -6.839 1.00 0.00 N ATOM 0 H ARG A 2 -9.596 -12.343 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 2 -9.960 -13.344 -3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.961 -10.917 -2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.577 -10.755 -4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -12.087 -12.860 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.671 -12.514 -2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.810 -10.638 -3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.575 -10.156 -4.656 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.666 -12.386 -5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -15.006 -9.410 -4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -16.380 -9.387 -5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.434 -12.345 -7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.621 -11.040 -7.174 1.00 0.00 H new ATOM 51 N ARG A 3 -7.812 -11.206 -2.629 1.00 0.00 N ATOM 52 CA ARG A 3 -6.519 -10.568 -2.845 1.00 0.00 C ATOM 53 C ARG A 3 -5.406 -11.348 -2.153 1.00 0.00 C ATOM 54 O ARG A 3 -5.611 -12.477 -1.706 1.00 0.00 O ATOM 55 CB ARG A 3 -6.546 -9.127 -2.330 1.00 0.00 C ATOM 56 CG ARG A 3 -7.780 -8.351 -2.757 1.00 0.00 C ATOM 57 CD ARG A 3 -7.508 -6.856 -2.811 1.00 0.00 C ATOM 58 NE ARG A 3 -6.495 -6.520 -3.809 1.00 0.00 N ATOM 59 CZ ARG A 3 -6.306 -5.292 -4.287 1.00 0.00 C ATOM 60 NH1 ARG A 3 -7.055 -4.283 -3.861 1.00 0.00 N ATOM 61 NH2 ARG A 3 -5.362 -5.073 -5.193 1.00 0.00 N ATOM 0 H ARG A 3 -8.199 -11.068 -1.696 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.319 -10.559 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.493 -9.138 -1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.658 -8.606 -2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.108 -8.698 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.594 -8.549 -2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.433 -6.327 -3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.179 -6.512 -1.830 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.898 -7.269 -4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.781 -4.446 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.905 -3.345 -4.231 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.782 -5.845 -5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.216 -4.133 -5.560 1.00 0.00 H new ATOM 75 N HIS A 4 -4.227 -10.740 -2.068 1.00 0.00 N ATOM 76 CA HIS A 4 -3.081 -11.375 -1.429 1.00 0.00 C ATOM 77 C HIS A 4 -2.733 -12.695 -2.114 1.00 0.00 C ATOM 78 O HIS A 4 -2.272 -13.637 -1.471 1.00 0.00 O ATOM 79 CB HIS A 4 -3.368 -11.615 0.057 1.00 0.00 C ATOM 80 CG HIS A 4 -2.431 -10.886 0.969 1.00 0.00 C ATOM 81 ND1 HIS A 4 -1.137 -10.563 0.620 1.00 0.00 N ATOM 82 CD2 HIS A 4 -2.608 -10.414 2.227 1.00 0.00 C ATOM 83 CE1 HIS A 4 -0.557 -9.927 1.623 1.00 0.00 C ATOM 84 NE2 HIS A 4 -1.428 -9.823 2.608 1.00 0.00 N ATOM 0 H HIS A 4 -4.041 -9.807 -2.435 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.227 -10.705 -1.524 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.390 -11.307 0.276 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.306 -12.683 0.263 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.508 -10.489 2.819 1.00 0.00 H new ATOM 0 HE1 HIS A 4 0.457 -9.556 1.634 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.253 -9.376 3.508 1.00 0.00 H new ATOM 93 N ILE A 5 -2.956 -12.754 -3.424 1.00 0.00 N ATOM 94 CA ILE A 5 -2.663 -13.956 -4.194 1.00 0.00 C ATOM 95 C ILE A 5 -1.167 -14.088 -4.458 1.00 0.00 C ATOM 96 O ILE A 5 -0.532 -15.049 -4.023 1.00 0.00 O ATOM 97 CB ILE A 5 -3.411 -13.958 -5.541 1.00 0.00 C ATOM 98 CG1 ILE A 5 -4.890 -13.629 -5.329 1.00 0.00 C ATOM 99 CG2 ILE A 5 -3.254 -15.304 -6.233 1.00 0.00 C ATOM 100 CD1 ILE A 5 -5.604 -13.217 -6.598 1.00 0.00 C ATOM 0 H ILE A 5 -3.338 -11.984 -3.973 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.002 -14.803 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.977 -13.191 -6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.391 -14.500 -4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.974 -12.826 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.788 -15.289 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.197 -15.499 -6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.664 -16.089 -5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.648 -12.999 -6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.128 -12.328 -7.011 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.551 -14.028 -7.325 1.00 0.00 H new ATOM 112 N VAL A 6 -0.611 -13.116 -5.172 1.00 0.00 N ATOM 113 CA VAL A 6 0.809 -13.122 -5.495 1.00 0.00 C ATOM 114 C VAL A 6 1.615 -12.381 -4.433 1.00 0.00 C ATOM 115 O VAL A 6 1.653 -11.150 -4.413 1.00 0.00 O ATOM 116 CB VAL A 6 1.073 -12.478 -6.868 1.00 0.00 C ATOM 117 CG1 VAL A 6 2.540 -12.607 -7.251 1.00 0.00 C ATOM 118 CG2 VAL A 6 0.179 -13.104 -7.929 1.00 0.00 C ATOM 0 H VAL A 6 -1.123 -12.314 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 6 1.125 -14.165 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 6 0.835 -11.416 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.704 -12.145 -8.225 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.156 -12.107 -6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.812 -13.661 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.378 -12.638 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.384 -14.173 -7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.866 -12.951 -7.661 1.00 0.00 H new ATOM 128 N ARG A 7 2.258 -13.138 -3.551 1.00 0.00 N ATOM 129 CA ARG A 7 3.061 -12.552 -2.483 1.00 0.00 C ATOM 130 C ARG A 7 4.473 -13.131 -2.474 1.00 0.00 C ATOM 131 O ARG A 7 5.453 -12.399 -2.342 1.00 0.00 O ATOM 132 CB ARG A 7 2.395 -12.791 -1.128 1.00 0.00 C ATOM 133 CG ARG A 7 2.308 -14.259 -0.744 1.00 0.00 C ATOM 134 CD ARG A 7 1.572 -14.448 0.572 1.00 0.00 C ATOM 135 NE ARG A 7 1.434 -15.860 0.922 1.00 0.00 N ATOM 136 CZ ARG A 7 0.522 -16.670 0.389 1.00 0.00 C ATOM 137 NH1 ARG A 7 -0.338 -16.211 -0.512 1.00 0.00 N ATOM 138 NH2 ARG A 7 0.469 -17.942 0.758 1.00 0.00 N ATOM 0 H ARG A 7 2.239 -14.158 -3.554 1.00 0.00 H new ATOM 0 HA ARG A 7 3.131 -11.480 -2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.952 -12.255 -0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.390 -12.369 -1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.796 -14.812 -1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.312 -14.675 -0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.108 -13.928 1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.584 -13.993 0.504 1.00 0.00 H new ATOM 0 HE ARG A 7 2.074 -16.248 1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.302 -15.233 -0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.035 -16.836 -0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.127 -18.300 1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.230 -18.563 0.350 1.00 0.00 H new ATOM 152 N LYS A 8 4.570 -14.450 -2.609 1.00 0.00 N ATOM 153 CA LYS A 8 5.862 -15.127 -2.611 1.00 0.00 C ATOM 154 C LYS A 8 6.753 -14.617 -3.740 1.00 0.00 C ATOM 155 O LYS A 8 7.883 -14.190 -3.505 1.00 0.00 O ATOM 156 CB LYS A 8 5.666 -16.641 -2.738 1.00 0.00 C ATOM 157 CG LYS A 8 6.131 -17.416 -1.516 1.00 0.00 C ATOM 158 CD LYS A 8 7.612 -17.748 -1.598 1.00 0.00 C ATOM 159 CE LYS A 8 7.904 -18.728 -2.722 1.00 0.00 C ATOM 160 NZ LYS A 8 9.282 -19.284 -2.630 1.00 0.00 N ATOM 0 H LYS A 8 3.769 -15.072 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 8 6.357 -14.908 -1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.610 -16.850 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.209 -16.998 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.937 -16.831 -0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.555 -18.337 -1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.183 -16.833 -1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.944 -18.171 -0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.181 -19.543 -2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.778 -18.227 -3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.442 -19.948 -3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.973 -18.509 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.395 -19.784 -1.725 1.00 0.00 H new ATOM 174 N ARG A 9 6.243 -14.669 -4.965 1.00 0.00 N ATOM 175 CA ARG A 9 7.003 -14.216 -6.127 1.00 0.00 C ATOM 176 C ARG A 9 6.959 -12.694 -6.266 1.00 0.00 C ATOM 177 O ARG A 9 7.742 -12.112 -7.015 1.00 0.00 O ATOM 178 CB ARG A 9 6.468 -14.869 -7.404 1.00 0.00 C ATOM 179 CG ARG A 9 4.951 -14.874 -7.501 1.00 0.00 C ATOM 180 CD ARG A 9 4.367 -16.204 -7.051 1.00 0.00 C ATOM 181 NE ARG A 9 3.764 -16.940 -8.159 1.00 0.00 N ATOM 182 CZ ARG A 9 2.535 -16.713 -8.620 1.00 0.00 C ATOM 183 NH1 ARG A 9 1.773 -15.777 -8.066 1.00 0.00 N ATOM 184 NH2 ARG A 9 2.068 -17.424 -9.636 1.00 0.00 N ATOM 0 H ARG A 9 5.309 -15.019 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 9 8.041 -14.515 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.876 -14.344 -8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.829 -15.896 -7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.544 -14.071 -6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.651 -14.673 -8.529 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.152 -16.810 -6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.616 -16.028 -6.281 1.00 0.00 H new ATOM 0 HE ARG A 9 4.317 -17.671 -8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.128 -15.228 -7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.833 -15.608 -8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.649 -18.144 -10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.127 -17.251 -9.990 1.00 0.00 H new ATOM 198 N THR A 10 6.042 -12.052 -5.546 1.00 0.00 N ATOM 199 CA THR A 10 5.910 -10.602 -5.603 1.00 0.00 C ATOM 200 C THR A 10 6.979 -9.922 -4.750 1.00 0.00 C ATOM 201 O THR A 10 7.688 -9.035 -5.221 1.00 0.00 O ATOM 202 CB THR A 10 4.503 -10.175 -5.157 1.00 0.00 C ATOM 203 OG1 THR A 10 3.993 -9.169 -6.015 1.00 0.00 O ATOM 204 CG2 THR A 10 4.438 -9.639 -3.740 1.00 0.00 C ATOM 0 H THR A 10 5.382 -12.513 -4.919 1.00 0.00 H new ATOM 0 HA THR A 10 6.056 -10.286 -6.636 1.00 0.00 H new ATOM 0 HB THR A 10 3.907 -11.087 -5.202 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.096 -8.910 -5.718 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.411 -9.360 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.775 -10.408 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.081 -8.763 -3.652 1.00 0.00 H new ATOM 212 N LEU A 11 7.086 -10.341 -3.489 1.00 0.00 N ATOM 213 CA LEU A 11 8.066 -9.764 -2.576 1.00 0.00 C ATOM 214 C LEU A 11 9.445 -9.734 -3.219 1.00 0.00 C ATOM 215 O LEU A 11 10.276 -8.885 -2.895 1.00 0.00 O ATOM 216 CB LEU A 11 8.115 -10.551 -1.264 1.00 0.00 C ATOM 217 CG LEU A 11 8.201 -12.071 -1.416 1.00 0.00 C ATOM 218 CD1 LEU A 11 9.651 -12.516 -1.549 1.00 0.00 C ATOM 219 CD2 LEU A 11 7.538 -12.761 -0.233 1.00 0.00 C ATOM 0 H LEU A 11 6.508 -11.075 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 11 7.760 -8.741 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.975 -10.211 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.226 -10.310 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 11 7.671 -12.356 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.691 -13.600 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.096 -12.048 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.206 -12.219 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.608 -13.842 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.041 -12.468 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.489 -12.469 -0.182 1.00 0.00 H new ATOM 231 N ARG A 12 9.682 -10.667 -4.136 1.00 0.00 N ATOM 232 CA ARG A 12 10.958 -10.743 -4.825 1.00 0.00 C ATOM 233 C ARG A 12 11.261 -9.432 -5.542 1.00 0.00 C ATOM 234 O ARG A 12 12.422 -9.065 -5.717 1.00 0.00 O ATOM 235 CB ARG A 12 10.961 -11.906 -5.819 1.00 0.00 C ATOM 236 CG ARG A 12 11.681 -13.142 -5.305 1.00 0.00 C ATOM 237 CD ARG A 12 12.014 -14.102 -6.436 1.00 0.00 C ATOM 238 NE ARG A 12 13.411 -13.996 -6.849 1.00 0.00 N ATOM 239 CZ ARG A 12 13.939 -14.688 -7.856 1.00 0.00 C ATOM 240 NH1 ARG A 12 13.192 -15.533 -8.554 1.00 0.00 N ATOM 241 NH2 ARG A 12 15.219 -14.532 -8.167 1.00 0.00 N ATOM 0 H ARG A 12 9.006 -11.378 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 12 11.737 -10.918 -4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.931 -12.169 -6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.433 -11.580 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.598 -12.845 -4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.057 -13.648 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.806 -15.124 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.367 -13.896 -7.289 1.00 0.00 H new ATOM 0 HE ARG A 12 14.017 -13.355 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.207 -15.656 -8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.603 -16.060 -9.325 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.798 -13.882 -7.635 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.625 -15.062 -8.938 1.00 0.00 H new ATOM 255 N ARG A 13 10.210 -8.721 -5.936 1.00 0.00 N ATOM 256 CA ARG A 13 10.367 -7.442 -6.611 1.00 0.00 C ATOM 257 C ARG A 13 10.671 -6.354 -5.585 1.00 0.00 C ATOM 258 O ARG A 13 11.556 -5.521 -5.781 1.00 0.00 O ATOM 259 CB ARG A 13 9.102 -7.104 -7.415 1.00 0.00 C ATOM 260 CG ARG A 13 8.035 -6.359 -6.624 1.00 0.00 C ATOM 261 CD ARG A 13 6.743 -6.233 -7.416 1.00 0.00 C ATOM 262 NE ARG A 13 6.008 -5.017 -7.075 1.00 0.00 N ATOM 263 CZ ARG A 13 5.273 -4.878 -5.973 1.00 0.00 C ATOM 264 NH1 ARG A 13 5.172 -5.876 -5.105 1.00 0.00 N ATOM 265 NH2 ARG A 13 4.638 -3.738 -5.741 1.00 0.00 N ATOM 0 H ARG A 13 9.242 -9.010 -5.799 1.00 0.00 H new ATOM 0 HA ARG A 13 11.201 -7.503 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.385 -6.501 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.672 -8.029 -7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.840 -6.884 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.401 -5.366 -6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.970 -6.232 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.114 -7.102 -7.224 1.00 0.00 H new ATOM 0 HE ARG A 13 6.061 -4.228 -7.719 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.659 -6.755 -5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.608 -5.764 -4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.712 -2.968 -6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.075 -3.630 -4.897 1.00 0.00 H new ATOM 279 N LEU A 14 9.928 -6.387 -4.484 1.00 0.00 N ATOM 280 CA LEU A 14 10.109 -5.424 -3.408 1.00 0.00 C ATOM 281 C LEU A 14 11.529 -5.504 -2.857 1.00 0.00 C ATOM 282 O LEU A 14 12.179 -4.483 -2.631 1.00 0.00 O ATOM 283 CB LEU A 14 9.096 -5.675 -2.289 1.00 0.00 C ATOM 284 CG LEU A 14 8.688 -4.434 -1.494 1.00 0.00 C ATOM 285 CD1 LEU A 14 7.644 -3.633 -2.256 1.00 0.00 C ATOM 286 CD2 LEU A 14 8.164 -4.829 -0.121 1.00 0.00 C ATOM 0 H LEU A 14 9.193 -7.073 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 14 9.944 -4.424 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.201 -6.120 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.514 -6.408 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 14 9.569 -3.807 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.365 -2.754 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.055 -3.319 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.762 -4.251 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.878 -3.933 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.295 -5.477 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.943 -5.360 0.427 1.00 0.00 H new ATOM 298 N LEU A 15 12.003 -6.728 -2.642 1.00 0.00 N ATOM 299 CA LEU A 15 13.346 -6.951 -2.116 1.00 0.00 C ATOM 300 C LEU A 15 14.412 -6.691 -3.178 1.00 0.00 C ATOM 301 O LEU A 15 15.572 -6.437 -2.853 1.00 0.00 O ATOM 302 CB LEU A 15 13.479 -8.382 -1.592 1.00 0.00 C ATOM 303 CG LEU A 15 12.328 -8.855 -0.702 1.00 0.00 C ATOM 304 CD1 LEU A 15 12.011 -10.317 -0.977 1.00 0.00 C ATOM 305 CD2 LEU A 15 12.670 -8.648 0.766 1.00 0.00 C ATOM 0 H LEU A 15 11.476 -7.582 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 15 13.501 -6.248 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.562 -9.058 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.409 -8.462 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 15 11.444 -8.262 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.190 -10.638 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.724 -10.437 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.892 -10.925 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.840 -8.990 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.566 -9.217 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.849 -7.589 0.952 1.00 0.00 H new ATOM 317 N GLN A 16 14.019 -6.762 -4.446 1.00 0.00 N ATOM 318 CA GLN A 16 14.952 -6.538 -5.546 1.00 0.00 C ATOM 319 C GLN A 16 14.994 -5.066 -5.947 1.00 0.00 C ATOM 320 O GLN A 16 15.968 -4.606 -6.543 1.00 0.00 O ATOM 321 CB GLN A 16 14.563 -7.392 -6.753 1.00 0.00 C ATOM 322 CG GLN A 16 15.143 -8.797 -6.716 1.00 0.00 C ATOM 323 CD GLN A 16 15.037 -9.508 -8.051 1.00 0.00 C ATOM 324 OE1 GLN A 16 14.276 -9.098 -8.927 1.00 0.00 O ATOM 325 NE2 GLN A 16 15.803 -10.582 -8.212 1.00 0.00 N ATOM 0 H GLN A 16 13.064 -6.972 -4.737 1.00 0.00 H new ATOM 0 HA GLN A 16 15.945 -6.828 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.476 -7.458 -6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.897 -6.894 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.190 -8.746 -6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.624 -9.380 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.419 -10.886 -7.459 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.774 -11.102 -9.089 1.00 0.00 H new ATOM 334 N GLU A 17 13.936 -4.331 -5.621 1.00 0.00 N ATOM 335 CA GLU A 17 13.863 -2.912 -5.956 1.00 0.00 C ATOM 336 C GLU A 17 14.847 -2.091 -5.120 1.00 0.00 C ATOM 337 O GLU A 17 15.094 -0.922 -5.414 1.00 0.00 O ATOM 338 CB GLU A 17 12.438 -2.392 -5.750 1.00 0.00 C ATOM 339 CG GLU A 17 11.757 -1.961 -7.038 1.00 0.00 C ATOM 340 CD GLU A 17 10.317 -2.427 -7.120 1.00 0.00 C ATOM 341 OE1 GLU A 17 9.546 -2.143 -6.179 1.00 0.00 O ATOM 342 OE2 GLU A 17 9.960 -3.078 -8.124 1.00 0.00 O ATOM 0 H GLU A 17 13.120 -4.692 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 17 14.137 -2.802 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.841 -3.171 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.464 -1.547 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.788 -0.874 -7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.312 -2.357 -7.888 1.00 0.00 H new ATOM 349 N ARG A 18 15.403 -2.706 -4.078 1.00 0.00 N ATOM 350 CA ARG A 18 16.355 -2.022 -3.209 1.00 0.00 C ATOM 351 C ARG A 18 17.647 -1.684 -3.954 1.00 0.00 C ATOM 352 O ARG A 18 18.454 -0.885 -3.479 1.00 0.00 O ATOM 353 CB ARG A 18 16.665 -2.882 -1.980 1.00 0.00 C ATOM 354 CG ARG A 18 17.545 -4.088 -2.280 1.00 0.00 C ATOM 355 CD ARG A 18 18.850 -4.040 -1.500 1.00 0.00 C ATOM 356 NE ARG A 18 19.217 -5.350 -0.967 1.00 0.00 N ATOM 357 CZ ARG A 18 20.072 -5.530 0.038 1.00 0.00 C ATOM 358 NH1 ARG A 18 20.653 -4.486 0.620 1.00 0.00 N ATOM 359 NH2 ARG A 18 20.348 -6.755 0.461 1.00 0.00 N ATOM 0 H ARG A 18 15.211 -3.673 -3.817 1.00 0.00 H new ATOM 0 HA ARG A 18 15.899 -1.087 -2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.157 -2.263 -1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.728 -3.227 -1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.006 -5.002 -2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.760 -4.125 -3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.647 -3.676 -2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.756 -3.328 -0.680 1.00 0.00 H new ATOM 0 HE ARG A 18 18.793 -6.176 -1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.445 -3.541 0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.307 -4.630 1.389 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.906 -7.560 0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.003 -6.893 1.231 1.00 0.00 H new ATOM 373 N GLU A 19 17.837 -2.296 -5.120 1.00 0.00 N ATOM 374 CA GLU A 19 19.032 -2.058 -5.923 1.00 0.00 C ATOM 375 C GLU A 19 19.244 -0.567 -6.178 1.00 0.00 C ATOM 376 O GLU A 19 20.367 -0.126 -6.421 1.00 0.00 O ATOM 377 CB GLU A 19 18.932 -2.804 -7.255 1.00 0.00 C ATOM 378 CG GLU A 19 20.274 -3.267 -7.797 1.00 0.00 C ATOM 379 CD GLU A 19 20.770 -2.404 -8.942 1.00 0.00 C ATOM 380 OE1 GLU A 19 19.952 -2.052 -9.817 1.00 0.00 O ATOM 381 OE2 GLU A 19 21.976 -2.082 -8.962 1.00 0.00 O ATOM 0 H GLU A 19 17.179 -2.960 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 19 19.889 -2.432 -5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.283 -3.670 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.457 -2.155 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 19 21.010 -3.255 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 19 20.188 -4.299 -8.136 1.00 0.00 H new ATOM 388 N LEU A 20 18.162 0.204 -6.124 1.00 0.00 N ATOM 389 CA LEU A 20 18.244 1.642 -6.354 1.00 0.00 C ATOM 390 C LEU A 20 17.447 2.419 -5.312 1.00 0.00 C ATOM 391 O LEU A 20 18.021 3.067 -4.436 1.00 0.00 O ATOM 392 CB LEU A 20 17.742 1.985 -7.759 1.00 0.00 C ATOM 393 CG LEU A 20 18.517 1.324 -8.902 1.00 0.00 C ATOM 394 CD1 LEU A 20 17.709 0.186 -9.509 1.00 0.00 C ATOM 395 CD2 LEU A 20 18.878 2.349 -9.968 1.00 0.00 C ATOM 0 H LEU A 20 17.223 -0.141 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 20 19.291 1.933 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.694 1.695 -7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.784 3.066 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 20 19.440 0.912 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.276 -0.271 -10.320 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.502 -0.562 -8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.769 0.575 -9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.428 1.860 -10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.967 2.792 -10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.498 3.130 -9.527 1.00 0.00 H new ATOM 407 N VAL A 21 16.123 2.357 -5.413 1.00 0.00 N ATOM 408 CA VAL A 21 15.256 3.064 -4.479 1.00 0.00 C ATOM 409 C VAL A 21 14.335 2.103 -3.735 1.00 0.00 C ATOM 410 O VAL A 21 13.524 1.405 -4.344 1.00 0.00 O ATOM 411 CB VAL A 21 14.402 4.126 -5.199 1.00 0.00 C ATOM 412 CG1 VAL A 21 13.497 3.474 -6.235 1.00 0.00 C ATOM 413 CG2 VAL A 21 13.588 4.930 -4.198 1.00 0.00 C ATOM 0 H VAL A 21 15.629 1.826 -6.130 1.00 0.00 H new ATOM 0 HA VAL A 21 15.909 3.558 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 21 15.073 4.811 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.902 4.240 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.106 2.952 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.834 2.763 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.993 5.674 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.927 4.262 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.260 5.432 -3.502 1.00 0.00 H new ATOM 423 N GLU A 22 14.463 2.083 -2.412 1.00 0.00 N ATOM 424 CA GLU A 22 13.639 1.219 -1.570 1.00 0.00 C ATOM 425 C GLU A 22 14.030 1.343 -0.097 1.00 0.00 C ATOM 426 O GLU A 22 13.171 1.566 0.759 1.00 0.00 O ATOM 427 CB GLU A 22 13.748 -0.243 -2.016 1.00 0.00 C ATOM 428 CG GLU A 22 12.444 -1.018 -1.896 1.00 0.00 C ATOM 429 CD GLU A 22 11.274 -0.313 -2.558 1.00 0.00 C ATOM 430 OE1 GLU A 22 10.637 0.531 -1.893 1.00 0.00 O ATOM 431 OE2 GLU A 22 10.995 -0.606 -3.739 1.00 0.00 O ATOM 0 H GLU A 22 15.131 2.657 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 22 12.605 1.546 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.084 -0.273 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.512 -0.740 -1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.570 -2.003 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.217 -1.176 -0.842 1.00 0.00 H new ATOM 438 N PRO A 23 15.329 1.198 0.230 1.00 0.00 N ATOM 439 CA PRO A 23 15.807 1.295 1.614 1.00 0.00 C ATOM 440 C PRO A 23 15.310 2.555 2.317 1.00 0.00 C ATOM 441 O PRO A 23 15.194 2.589 3.543 1.00 0.00 O ATOM 442 CB PRO A 23 17.328 1.330 1.461 1.00 0.00 C ATOM 443 CG PRO A 23 17.590 0.602 0.190 1.00 0.00 C ATOM 444 CD PRO A 23 16.433 0.927 -0.715 1.00 0.00 C ATOM 0 HA PRO A 23 15.445 0.470 2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 23 17.699 2.354 1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 23 17.823 0.848 2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 23 18.534 0.918 -0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 23 17.662 -0.472 0.362 1.00 0.00 H new ATOM 0 HD2 PRO A 23 16.645 1.791 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 23 16.198 0.097 -1.381 1.00 0.00 H new ATOM 452 N LEU A 24 15.015 3.587 1.536 1.00 0.00 N ATOM 453 CA LEU A 24 14.527 4.848 2.084 1.00 0.00 C ATOM 454 C LEU A 24 13.239 5.278 1.392 1.00 0.00 C ATOM 455 O LEU A 24 12.962 6.471 1.260 1.00 0.00 O ATOM 456 CB LEU A 24 15.589 5.945 1.945 1.00 0.00 C ATOM 457 CG LEU A 24 16.345 5.972 0.612 1.00 0.00 C ATOM 458 CD1 LEU A 24 17.321 4.808 0.521 1.00 0.00 C ATOM 459 CD2 LEU A 24 15.373 5.953 -0.559 1.00 0.00 C ATOM 0 H LEU A 24 15.105 3.576 0.520 1.00 0.00 H new ATOM 0 HA LEU A 24 14.318 4.695 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.107 6.912 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.314 5.828 2.751 1.00 0.00 H new ATOM 0 HG LEU A 24 16.917 6.899 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.846 4.847 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.043 4.874 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 24 16.774 3.868 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.931 5.973 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.769 5.047 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.722 6.826 -0.506 1.00 0.00 H new ATOM 471 N THR A 25 12.454 4.301 0.951 1.00 0.00 N ATOM 472 CA THR A 25 11.195 4.581 0.271 1.00 0.00 C ATOM 473 C THR A 25 10.228 3.404 0.406 1.00 0.00 C ATOM 474 O THR A 25 10.417 2.364 -0.226 1.00 0.00 O ATOM 475 CB THR A 25 11.450 4.878 -1.207 1.00 0.00 C ATOM 476 OG1 THR A 25 12.398 3.974 -1.742 1.00 0.00 O ATOM 477 CG2 THR A 25 11.960 6.281 -1.455 1.00 0.00 C ATOM 0 H THR A 25 12.667 3.309 1.052 1.00 0.00 H new ATOM 0 HA THR A 25 10.742 5.455 0.740 1.00 0.00 H new ATOM 0 HB THR A 25 10.482 4.770 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.958 3.384 -2.389 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.120 6.426 -2.523 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.227 7.003 -1.097 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.901 6.425 -0.924 1.00 0.00 H new ATOM 485 N PRO A 26 9.175 3.549 1.232 1.00 0.00 N ATOM 486 CA PRO A 26 8.185 2.487 1.438 1.00 0.00 C ATOM 487 C PRO A 26 7.333 2.236 0.198 1.00 0.00 C ATOM 488 O PRO A 26 6.809 1.140 0.005 1.00 0.00 O ATOM 489 CB PRO A 26 7.321 3.018 2.585 1.00 0.00 C ATOM 490 CG PRO A 26 7.471 4.498 2.522 1.00 0.00 C ATOM 491 CD PRO A 26 8.868 4.753 2.028 1.00 0.00 C ATOM 0 HA PRO A 26 8.658 1.529 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.279 2.721 2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.656 2.627 3.546 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.733 4.937 1.850 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.316 4.948 3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.921 5.659 1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.569 4.879 2.853 1.00 0.00 H new ATOM 499 N SER A 27 7.196 3.259 -0.640 1.00 0.00 N ATOM 500 CA SER A 27 6.407 3.145 -1.860 1.00 0.00 C ATOM 501 C SER A 27 7.281 2.720 -3.035 1.00 0.00 C ATOM 502 O SER A 27 7.205 1.582 -3.500 1.00 0.00 O ATOM 503 CB SER A 27 5.720 4.475 -2.176 1.00 0.00 C ATOM 504 OG SER A 27 6.630 5.557 -2.070 1.00 0.00 O ATOM 0 H SER A 27 7.621 4.175 -0.496 1.00 0.00 H new ATOM 0 HA SER A 27 5.646 2.381 -1.700 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.304 4.443 -3.183 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.886 4.629 -1.491 1.00 0.00 H new ATOM 0 HG SER A 27 6.202 6.377 -2.394 1.00 0.00 H new ATOM 510 N GLY A 28 8.111 3.641 -3.511 1.00 0.00 N ATOM 511 CA GLY A 28 8.989 3.345 -4.628 1.00 0.00 C ATOM 512 C GLY A 28 9.648 4.588 -5.193 1.00 0.00 C ATOM 513 O GLY A 28 10.867 4.741 -5.115 1.00 0.00 O ATOM 0 H GLY A 28 8.192 4.589 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.759 2.644 -4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.418 2.851 -5.414 1.00 0.00 H new ATOM 517 N GLU A 29 8.841 5.475 -5.761 1.00 0.00 N ATOM 518 CA GLU A 29 9.352 6.712 -6.341 1.00 0.00 C ATOM 519 C GLU A 29 9.449 7.807 -5.282 1.00 0.00 C ATOM 520 O GLU A 29 10.386 8.605 -5.283 1.00 0.00 O ATOM 521 CB GLU A 29 8.451 7.172 -7.492 1.00 0.00 C ATOM 522 CG GLU A 29 9.145 7.173 -8.843 1.00 0.00 C ATOM 523 CD GLU A 29 8.319 7.845 -9.922 1.00 0.00 C ATOM 524 OE1 GLU A 29 7.253 7.301 -10.279 1.00 0.00 O ATOM 525 OE2 GLU A 29 8.736 8.916 -10.409 1.00 0.00 O ATOM 0 H GLU A 29 7.830 5.362 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 29 10.352 6.518 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.578 6.521 -7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.088 8.177 -7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.104 7.683 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.357 6.146 -9.139 1.00 0.00 H new ATOM 532 N ALA A 30 8.474 7.836 -4.379 1.00 0.00 N ATOM 533 CA ALA A 30 8.447 8.829 -3.312 1.00 0.00 C ATOM 534 C ALA A 30 7.279 8.581 -2.362 1.00 0.00 C ATOM 535 O ALA A 30 6.222 8.105 -2.778 1.00 0.00 O ATOM 536 CB ALA A 30 8.363 10.230 -3.900 1.00 0.00 C ATOM 0 H ALA A 30 7.691 7.182 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 30 9.371 8.740 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.343 10.963 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.231 10.411 -4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.454 10.321 -4.495 1.00 0.00 H new ATOM 542 N PRO A 31 7.452 8.900 -1.067 1.00 0.00 N ATOM 543 CA PRO A 31 6.402 8.707 -0.061 1.00 0.00 C ATOM 544 C PRO A 31 5.197 9.610 -0.304 1.00 0.00 C ATOM 545 O PRO A 31 4.058 9.146 -0.332 1.00 0.00 O ATOM 546 CB PRO A 31 7.089 9.074 1.257 1.00 0.00 C ATOM 547 CG PRO A 31 8.228 9.952 0.868 1.00 0.00 C ATOM 548 CD PRO A 31 8.679 9.473 -0.483 1.00 0.00 C ATOM 0 HA PRO A 31 6.007 7.691 -0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.404 9.591 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.438 8.184 1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.919 10.997 0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.037 9.886 1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.070 10.290 -1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.471 8.729 -0.402 1.00 0.00 H new ATOM 556 N ASN A 32 5.456 10.905 -0.468 1.00 0.00 N ATOM 557 CA ASN A 32 4.394 11.882 -0.700 1.00 0.00 C ATOM 558 C ASN A 32 3.397 11.392 -1.748 1.00 0.00 C ATOM 559 O ASN A 32 2.208 11.702 -1.676 1.00 0.00 O ATOM 560 CB ASN A 32 4.994 13.220 -1.137 1.00 0.00 C ATOM 561 CG ASN A 32 6.014 13.062 -2.249 1.00 0.00 C ATOM 562 OD1 ASN A 32 7.218 13.007 -1.999 1.00 0.00 O ATOM 563 ND2 ASN A 32 5.534 12.989 -3.485 1.00 0.00 N ATOM 0 H ASN A 32 6.395 11.303 -0.444 1.00 0.00 H new ATOM 0 HA ASN A 32 3.856 12.015 0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 32 4.195 13.881 -1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.466 13.700 -0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.171 12.883 -4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.528 13.039 -3.645 1.00 0.00 H new ATOM 570 N GLN A 33 3.885 10.625 -2.719 1.00 0.00 N ATOM 571 CA GLN A 33 3.025 10.096 -3.774 1.00 0.00 C ATOM 572 C GLN A 33 1.934 9.206 -3.195 1.00 0.00 C ATOM 573 O GLN A 33 0.864 9.061 -3.784 1.00 0.00 O ATOM 574 CB GLN A 33 3.840 9.316 -4.800 1.00 0.00 C ATOM 575 CG GLN A 33 5.094 10.041 -5.263 1.00 0.00 C ATOM 576 CD GLN A 33 4.955 10.610 -6.660 1.00 0.00 C ATOM 577 OE1 GLN A 33 3.944 11.230 -6.992 1.00 0.00 O ATOM 578 NE2 GLN A 33 5.971 10.403 -7.488 1.00 0.00 N ATOM 0 H GLN A 33 4.866 10.357 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 33 2.555 10.944 -4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.124 8.355 -4.371 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.212 9.105 -5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.321 10.848 -4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.938 9.352 -5.238 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.790 9.884 -7.171 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.933 10.763 -8.442 1.00 0.00 H new ATOM 587 N ALA A 34 2.195 8.631 -2.025 1.00 0.00 N ATOM 588 CA ALA A 34 1.215 7.785 -1.368 1.00 0.00 C ATOM 589 C ALA A 34 0.012 8.628 -0.980 1.00 0.00 C ATOM 590 O ALA A 34 -1.110 8.368 -1.405 1.00 0.00 O ATOM 591 CB ALA A 34 1.819 7.113 -0.143 1.00 0.00 C ATOM 0 H ALA A 34 3.073 8.737 -1.518 1.00 0.00 H new ATOM 0 HA ALA A 34 0.899 6.999 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.068 6.484 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.667 6.499 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.155 7.874 0.561 1.00 0.00 H new ATOM 597 N LEU A 35 0.271 9.671 -0.206 1.00 0.00 N ATOM 598 CA LEU A 35 -0.782 10.584 0.204 1.00 0.00 C ATOM 599 C LEU A 35 -1.313 11.329 -1.016 1.00 0.00 C ATOM 600 O LEU A 35 -2.476 11.729 -1.056 1.00 0.00 O ATOM 601 CB LEU A 35 -0.256 11.579 1.241 1.00 0.00 C ATOM 602 CG LEU A 35 0.572 10.958 2.370 1.00 0.00 C ATOM 603 CD1 LEU A 35 1.882 11.710 2.550 1.00 0.00 C ATOM 604 CD2 LEU A 35 -0.221 10.946 3.669 1.00 0.00 C ATOM 0 H LEU A 35 1.198 9.905 0.149 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.591 10.011 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.354 12.324 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.103 12.106 1.679 1.00 0.00 H new ATOM 0 HG LEU A 35 0.804 9.928 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.456 11.254 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.457 11.665 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.673 12.751 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.383 10.501 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.484 11.967 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.131 10.361 3.535 1.00 0.00 H new ATOM 616 N LEU A 36 -0.441 11.513 -2.008 1.00 0.00 N ATOM 617 CA LEU A 36 -0.806 12.213 -3.233 1.00 0.00 C ATOM 618 C LEU A 36 -1.974 11.528 -3.941 1.00 0.00 C ATOM 619 O LEU A 36 -2.917 12.193 -4.371 1.00 0.00 O ATOM 620 CB LEU A 36 0.403 12.331 -4.168 1.00 0.00 C ATOM 621 CG LEU A 36 0.739 13.757 -4.607 1.00 0.00 C ATOM 622 CD1 LEU A 36 1.665 14.421 -3.598 1.00 0.00 C ATOM 623 CD2 LEU A 36 1.370 13.751 -5.991 1.00 0.00 C ATOM 0 H LEU A 36 0.524 11.185 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.130 13.217 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.273 11.905 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.218 11.727 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.186 14.332 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.894 15.435 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.177 14.456 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.589 13.848 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.603 14.773 -6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.286 13.161 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.673 13.314 -6.707 1.00 0.00 H new ATOM 635 N ARG A 37 -1.913 10.211 -4.099 1.00 0.00 N ATOM 636 CA ARG A 37 -2.984 9.498 -4.784 1.00 0.00 C ATOM 637 C ARG A 37 -3.868 8.694 -3.836 1.00 0.00 C ATOM 638 O ARG A 37 -4.913 8.213 -4.249 1.00 0.00 O ATOM 639 CB ARG A 37 -2.405 8.578 -5.860 1.00 0.00 C ATOM 640 CG ARG A 37 -1.200 7.776 -5.393 1.00 0.00 C ATOM 641 CD ARG A 37 -1.079 6.463 -6.150 1.00 0.00 C ATOM 642 NE ARG A 37 0.305 6.000 -6.224 1.00 0.00 N ATOM 643 CZ ARG A 37 1.267 6.637 -6.886 1.00 0.00 C ATOM 644 NH1 ARG A 37 1.002 7.767 -7.531 1.00 0.00 N ATOM 645 NH2 ARG A 37 2.497 6.145 -6.903 1.00 0.00 N ATOM 0 H ARG A 37 -1.147 9.624 -3.769 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.617 10.257 -5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.182 7.890 -6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.119 9.178 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.293 8.364 -5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.287 7.575 -4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.689 5.704 -5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.474 6.588 -7.158 1.00 0.00 H new ATOM 0 HE ARG A 37 0.548 5.136 -5.739 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.057 8.151 -7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.743 8.251 -8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.706 5.278 -6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.235 6.633 -7.411 1.00 0.00 H new ATOM 659 N ILE A 38 -3.471 8.539 -2.577 1.00 0.00 N ATOM 660 CA ILE A 38 -4.280 7.768 -1.631 1.00 0.00 C ATOM 661 C ILE A 38 -5.482 8.563 -1.126 1.00 0.00 C ATOM 662 O ILE A 38 -6.617 8.104 -1.215 1.00 0.00 O ATOM 663 CB ILE A 38 -3.436 7.280 -0.434 1.00 0.00 C ATOM 664 CG1 ILE A 38 -2.472 6.196 -0.901 1.00 0.00 C ATOM 665 CG2 ILE A 38 -4.325 6.753 0.687 1.00 0.00 C ATOM 666 CD1 ILE A 38 -1.307 5.970 0.038 1.00 0.00 C ATOM 0 H ILE A 38 -2.611 8.928 -2.190 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.650 6.900 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.870 8.124 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.020 5.261 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.087 6.464 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.703 6.416 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.988 7.547 1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.920 5.918 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.665 5.185 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.734 6.892 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.681 5.670 1.017 1.00 0.00 H new ATOM 678 N LEU A 39 -5.232 9.755 -0.614 1.00 0.00 N ATOM 679 CA LEU A 39 -6.308 10.601 -0.114 1.00 0.00 C ATOM 680 C LEU A 39 -7.123 11.175 -1.270 1.00 0.00 C ATOM 681 O LEU A 39 -8.193 11.738 -1.068 1.00 0.00 O ATOM 682 CB LEU A 39 -5.738 11.733 0.745 1.00 0.00 C ATOM 683 CG LEU A 39 -5.970 11.582 2.252 1.00 0.00 C ATOM 684 CD1 LEU A 39 -4.653 11.352 2.978 1.00 0.00 C ATOM 685 CD2 LEU A 39 -6.681 12.807 2.810 1.00 0.00 C ATOM 0 H LEU A 39 -4.299 10.160 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.967 9.990 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.666 11.802 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.179 12.675 0.417 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.606 10.712 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.840 11.247 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.184 10.443 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.990 12.200 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.837 12.681 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.071 13.693 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.645 12.925 2.315 1.00 0.00 H new ATOM 697 N LYS A 40 -6.583 11.053 -2.480 1.00 0.00 N ATOM 698 CA LYS A 40 -7.235 11.586 -3.668 1.00 0.00 C ATOM 699 C LYS A 40 -8.000 10.501 -4.404 1.00 0.00 C ATOM 700 O LYS A 40 -9.064 10.749 -4.971 1.00 0.00 O ATOM 701 CB LYS A 40 -6.192 12.212 -4.597 1.00 0.00 C ATOM 702 CG LYS A 40 -5.566 13.498 -4.065 1.00 0.00 C ATOM 703 CD LYS A 40 -5.219 13.405 -2.582 1.00 0.00 C ATOM 704 CE LYS A 40 -3.773 13.754 -2.315 1.00 0.00 C ATOM 705 NZ LYS A 40 -3.392 15.073 -2.893 1.00 0.00 N ATOM 0 H LYS A 40 -5.693 10.588 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.946 12.350 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.401 11.485 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.659 12.421 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.663 13.722 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.256 14.327 -4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.864 14.077 -2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.420 12.395 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.598 13.767 -1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.131 12.978 -2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.621 15.488 -2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.074 14.943 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.214 15.710 -2.877 1.00 0.00 H new ATOM 719 N GLU A 41 -7.449 9.299 -4.394 1.00 0.00 N ATOM 720 CA GLU A 41 -8.073 8.170 -5.062 1.00 0.00 C ATOM 721 C GLU A 41 -8.921 7.360 -4.087 1.00 0.00 C ATOM 722 O GLU A 41 -9.602 6.411 -4.476 1.00 0.00 O ATOM 723 CB GLU A 41 -6.986 7.302 -5.697 1.00 0.00 C ATOM 724 CG GLU A 41 -6.362 6.302 -4.738 1.00 0.00 C ATOM 725 CD GLU A 41 -7.052 4.952 -4.767 1.00 0.00 C ATOM 726 OE1 GLU A 41 -7.713 4.644 -5.782 1.00 0.00 O ATOM 727 OE2 GLU A 41 -6.930 4.202 -3.775 1.00 0.00 O ATOM 0 H GLU A 41 -6.568 9.080 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.740 8.537 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.413 6.763 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.203 7.949 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.309 6.173 -4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.401 6.703 -3.725 1.00 0.00 H new ATOM 734 N THR A 42 -8.878 7.751 -2.821 1.00 0.00 N ATOM 735 CA THR A 42 -9.641 7.079 -1.787 1.00 0.00 C ATOM 736 C THR A 42 -10.306 8.101 -0.861 1.00 0.00 C ATOM 737 O THR A 42 -10.850 7.742 0.183 1.00 0.00 O ATOM 738 CB THR A 42 -8.727 6.149 -0.994 1.00 0.00 C ATOM 739 OG1 THR A 42 -8.158 5.167 -1.842 1.00 0.00 O ATOM 740 CG2 THR A 42 -9.432 5.427 0.130 1.00 0.00 C ATOM 0 H THR A 42 -8.318 8.536 -2.487 1.00 0.00 H new ATOM 0 HA THR A 42 -10.427 6.486 -2.255 1.00 0.00 H new ATOM 0 HB THR A 42 -7.963 6.796 -0.563 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.313 5.501 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.723 4.784 0.651 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.842 6.155 0.829 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.240 4.820 -0.278 1.00 0.00 H new ATOM 748 N GLU A 43 -10.258 9.378 -1.254 1.00 0.00 N ATOM 749 CA GLU A 43 -10.858 10.455 -0.465 1.00 0.00 C ATOM 750 C GLU A 43 -12.242 10.067 0.030 1.00 0.00 C ATOM 751 O GLU A 43 -12.486 9.994 1.235 1.00 0.00 O ATOM 752 CB GLU A 43 -10.966 11.748 -1.290 1.00 0.00 C ATOM 753 CG GLU A 43 -11.108 11.521 -2.789 1.00 0.00 C ATOM 754 CD GLU A 43 -12.156 12.420 -3.417 1.00 0.00 C ATOM 755 OE1 GLU A 43 -12.382 13.529 -2.889 1.00 0.00 O ATOM 756 OE2 GLU A 43 -12.752 12.013 -4.437 1.00 0.00 O ATOM 0 H GLU A 43 -9.809 9.690 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.206 10.626 0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.824 12.320 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.080 12.357 -1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.147 11.697 -3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.371 10.479 -2.972 1.00 0.00 H new ATOM 763 N PHE A 44 -13.150 9.833 -0.909 1.00 0.00 N ATOM 764 CA PHE A 44 -14.518 9.467 -0.572 1.00 0.00 C ATOM 765 C PHE A 44 -14.689 7.954 -0.495 1.00 0.00 C ATOM 766 O PHE A 44 -15.574 7.459 0.203 1.00 0.00 O ATOM 767 CB PHE A 44 -15.485 10.045 -1.606 1.00 0.00 C ATOM 768 CG PHE A 44 -16.840 10.371 -1.045 1.00 0.00 C ATOM 769 CD1 PHE A 44 -17.704 9.360 -0.658 1.00 0.00 C ATOM 770 CD2 PHE A 44 -17.249 11.688 -0.907 1.00 0.00 C ATOM 771 CE1 PHE A 44 -18.951 9.655 -0.141 1.00 0.00 C ATOM 772 CE2 PHE A 44 -18.496 11.989 -0.391 1.00 0.00 C ATOM 773 CZ PHE A 44 -19.348 10.972 -0.007 1.00 0.00 C ATOM 0 H PHE A 44 -12.963 9.890 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.742 9.883 0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -15.050 10.949 -2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -15.601 9.332 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -17.399 8.329 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.587 12.487 -1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.615 8.857 0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -18.804 13.019 -0.288 1.00 0.00 H new ATOM 0 HZ PHE A 44 -20.322 11.205 0.397 1.00 0.00 H new ATOM 783 N LYS A 45 -13.854 7.219 -1.223 1.00 0.00 N ATOM 784 CA LYS A 45 -13.943 5.763 -1.236 1.00 0.00 C ATOM 785 C LYS A 45 -13.931 5.171 0.177 1.00 0.00 C ATOM 786 O LYS A 45 -14.837 4.430 0.554 1.00 0.00 O ATOM 787 CB LYS A 45 -12.790 5.170 -2.052 1.00 0.00 C ATOM 788 CG LYS A 45 -12.604 5.822 -3.414 1.00 0.00 C ATOM 789 CD LYS A 45 -13.903 5.851 -4.204 1.00 0.00 C ATOM 790 CE LYS A 45 -13.800 6.773 -5.409 1.00 0.00 C ATOM 791 NZ LYS A 45 -14.661 6.315 -6.535 1.00 0.00 N ATOM 0 H LYS A 45 -13.113 7.605 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.895 5.503 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.866 5.269 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.966 4.103 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.234 6.839 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.847 5.278 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.151 4.843 -4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.716 6.183 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.089 7.783 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.763 6.821 -5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.562 6.970 -7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.369 5.361 -6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.654 6.293 -6.226 1.00 0.00 H new ATOM 805 N LYS A 46 -12.882 5.471 0.934 1.00 0.00 N ATOM 806 CA LYS A 46 -12.731 4.934 2.287 1.00 0.00 C ATOM 807 C LYS A 46 -13.778 5.469 3.267 1.00 0.00 C ATOM 808 O LYS A 46 -14.344 4.704 4.046 1.00 0.00 O ATOM 809 CB LYS A 46 -11.326 5.225 2.822 1.00 0.00 C ATOM 810 CG LYS A 46 -10.980 6.705 2.881 1.00 0.00 C ATOM 811 CD LYS A 46 -11.051 7.241 4.304 1.00 0.00 C ATOM 812 CE LYS A 46 -9.809 8.040 4.665 1.00 0.00 C ATOM 813 NZ LYS A 46 -8.881 7.263 5.533 1.00 0.00 N ATOM 0 H LYS A 46 -12.122 6.083 0.637 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.886 3.858 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.234 4.801 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.596 4.717 2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.978 6.861 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.666 7.265 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.934 7.871 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.165 6.411 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.290 8.336 3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.103 8.956 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.047 7.843 5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.367 7.002 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.580 6.401 5.035 1.00 0.00 H new ATOM 827 N ILE A 47 -14.021 6.776 3.253 1.00 0.00 N ATOM 828 CA ILE A 47 -14.985 7.372 4.176 1.00 0.00 C ATOM 829 C ILE A 47 -16.370 6.743 4.039 1.00 0.00 C ATOM 830 O ILE A 47 -16.953 6.302 5.029 1.00 0.00 O ATOM 831 CB ILE A 47 -15.082 8.908 4.012 1.00 0.00 C ATOM 832 CG1 ILE A 47 -15.754 9.284 2.689 1.00 0.00 C ATOM 833 CG2 ILE A 47 -13.699 9.535 4.104 1.00 0.00 C ATOM 834 CD1 ILE A 47 -15.774 10.774 2.420 1.00 0.00 C ATOM 0 H ILE A 47 -13.570 7.438 2.621 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.610 7.163 5.178 1.00 0.00 H new ATOM 0 HB ILE A 47 -15.700 9.296 4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -15.234 8.783 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.778 8.910 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.781 10.616 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.260 9.307 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.064 9.132 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.265 10.965 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.319 11.280 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.752 11.151 2.384 1.00 0.00 H new ATOM 846 N LYS A 48 -16.901 6.700 2.819 1.00 0.00 N ATOM 847 CA LYS A 48 -18.220 6.118 2.595 1.00 0.00 C ATOM 848 C LYS A 48 -18.246 4.667 3.061 1.00 0.00 C ATOM 849 O LYS A 48 -19.254 4.183 3.574 1.00 0.00 O ATOM 850 CB LYS A 48 -18.614 6.216 1.116 1.00 0.00 C ATOM 851 CG LYS A 48 -17.856 5.258 0.208 1.00 0.00 C ATOM 852 CD LYS A 48 -18.708 4.056 -0.171 1.00 0.00 C ATOM 853 CE LYS A 48 -19.310 4.216 -1.558 1.00 0.00 C ATOM 854 NZ LYS A 48 -20.057 3.000 -1.983 1.00 0.00 N ATOM 0 H LYS A 48 -16.444 7.057 1.980 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.947 6.683 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.682 6.021 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.445 7.236 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.543 5.782 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.950 4.919 0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.099 3.152 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.506 3.929 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.981 5.075 -1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.517 4.424 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.452 3.150 -2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.412 2.185 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.830 2.815 -1.312 1.00 0.00 H new ATOM 868 N VAL A 49 -17.122 3.980 2.881 1.00 0.00 N ATOM 869 CA VAL A 49 -17.007 2.584 3.286 1.00 0.00 C ATOM 870 C VAL A 49 -16.928 2.454 4.804 1.00 0.00 C ATOM 871 O VAL A 49 -17.554 1.573 5.393 1.00 0.00 O ATOM 872 CB VAL A 49 -15.766 1.916 2.655 1.00 0.00 C ATOM 873 CG1 VAL A 49 -15.630 0.474 3.124 1.00 0.00 C ATOM 874 CG2 VAL A 49 -15.840 1.981 1.137 1.00 0.00 C ATOM 0 H VAL A 49 -16.279 4.367 2.458 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.903 2.077 2.930 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.881 2.463 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.749 0.024 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -15.526 0.452 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.517 -0.088 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.957 1.506 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -16.735 1.461 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -15.881 3.023 0.819 1.00 0.00 H new ATOM 884 N LEU A 50 -16.159 3.336 5.434 1.00 0.00 N ATOM 885 CA LEU A 50 -16.006 3.312 6.883 1.00 0.00 C ATOM 886 C LEU A 50 -17.329 3.633 7.569 1.00 0.00 C ATOM 887 O LEU A 50 -17.602 3.154 8.670 1.00 0.00 O ATOM 888 CB LEU A 50 -14.932 4.309 7.321 1.00 0.00 C ATOM 889 CG LEU A 50 -13.537 4.039 6.758 1.00 0.00 C ATOM 890 CD1 LEU A 50 -12.786 5.344 6.544 1.00 0.00 C ATOM 891 CD2 LEU A 50 -12.757 3.119 7.686 1.00 0.00 C ATOM 0 H LEU A 50 -15.634 4.074 4.965 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.697 2.309 7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -15.242 5.310 7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.876 4.306 8.410 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.645 3.543 5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.795 5.132 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.336 5.969 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.688 5.868 7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.766 2.937 7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.659 3.588 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.287 2.172 7.789 1.00 0.00 H new ATOM 903 N GLY A 51 -18.152 4.438 6.906 1.00 0.00 N ATOM 904 CA GLY A 51 -19.441 4.800 7.460 1.00 0.00 C ATOM 905 C GLY A 51 -20.565 3.967 6.880 1.00 0.00 C ATOM 906 O GLY A 51 -21.713 4.407 6.830 1.00 0.00 O ATOM 0 H GLY A 51 -17.948 4.846 5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -19.418 4.674 8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.635 5.855 7.266 1.00 0.00 H new ATOM 910 N SER A 52 -20.229 2.760 6.439 1.00 0.00 N ATOM 911 CA SER A 52 -21.211 1.856 5.856 1.00 0.00 C ATOM 912 C SER A 52 -22.215 1.394 6.907 1.00 0.00 C ATOM 913 O SER A 52 -23.426 1.471 6.701 1.00 0.00 O ATOM 914 CB SER A 52 -20.514 0.645 5.234 1.00 0.00 C ATOM 915 OG SER A 52 -21.411 -0.101 4.428 1.00 0.00 O ATOM 0 H SER A 52 -19.281 2.385 6.475 1.00 0.00 H new ATOM 0 HA SER A 52 -21.749 2.397 5.077 1.00 0.00 H new ATOM 0 HB2 SER A 52 -19.669 0.978 4.631 1.00 0.00 H new ATOM 0 HB3 SER A 52 -20.112 0.008 6.022 1.00 0.00 H new ATOM 0 HG SER A 52 -20.941 -0.869 4.040 1.00 0.00 H new ATOM 921 N GLY A 53 -21.701 0.915 8.037 1.00 0.00 N ATOM 922 CA GLY A 53 -22.566 0.448 9.106 1.00 0.00 C ATOM 923 C GLY A 53 -22.226 1.077 10.443 1.00 0.00 C ATOM 924 O GLY A 53 -21.144 0.769 10.985 1.00 0.00 O ATOM 925 OXT GLY A 53 -23.042 1.878 10.946 1.00 0.00 O ATOM 0 H GLY A 53 -20.702 0.842 8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.603 0.673 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.486 -0.636 9.187 1.00 0.00 H new TER 929 GLY A 53