USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 hydrogens (19 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 NoAdj-H: B 9 M3L H2 : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD NoAdj-H: B 9 M3L H : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -142:sc= 1.26 (180deg=0.712) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0.464 (180deg=0.448) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= 0.195 (180deg=0.194) USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= 0.388 (180deg=0.224) USER MOD Single : A 28 THR OG1 : rot -39:sc= 0.529 USER MOD Single : A 32 ASN : amide:sc= -3.16 K(o=-3.2,f=-4.9!) USER MOD Single : A 33 THR OG1 : rot 102:sc= 0.724 USER MOD Single : A 39 ASN : amide:sc= -1.13 K(o=-1.1,f=-5.6!) USER MOD Single : A 42 CYS SG : rot 45:sc= -1.17 USER MOD Single : A 51 ASN : amide:sc= -1.36 X(o=-1.4,f=-0.88) USER MOD Single : A 52 SER OG : rot 59:sc= 1.17 USER MOD Single : A 53 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.47) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -61:sc= 0.219 USER MOD Single : B 4 LYS NZ :NH3+ 170:sc=-0.00729 (180deg=-0.116) USER MOD Single : B 5 GLN : amide:sc= 0.0944 K(o=0.094,f=-0.84) USER MOD Single : B 6 THR OG1 : rot -98:sc= 0.456 USER MOD Single : B 10 SER OG : rot 41:sc= 0.251 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.546 -0.278 -6.945 1.00 0.00 N ATOM 2 CA GLY A 1 6.404 -1.090 -5.717 1.00 0.00 C ATOM 3 C GLY A 1 5.412 -0.481 -4.740 1.00 0.00 C ATOM 4 O GLY A 1 4.290 -0.976 -4.593 1.00 0.00 O ATOM 0 H1 GLY A 1 7.232 -0.730 -7.583 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.625 -0.206 -7.422 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.881 0.674 -6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.079 -2.096 -5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.376 -1.187 -5.233 1.00 0.00 H new ATOM 10 N GLU A 2 5.828 0.622 -4.079 1.00 0.00 N ATOM 11 CA GLU A 2 5.010 1.328 -3.074 1.00 0.00 C ATOM 12 C GLU A 2 5.342 2.835 -3.063 1.00 0.00 C ATOM 13 O GLU A 2 4.542 3.643 -3.556 1.00 0.00 O ATOM 14 CB GLU A 2 5.157 0.641 -1.676 1.00 0.00 C ATOM 15 CG GLU A 2 6.599 0.229 -1.297 1.00 0.00 C ATOM 16 CD GLU A 2 6.662 -0.726 -0.100 1.00 0.00 C ATOM 17 OE1 GLU A 2 6.291 -0.314 1.005 1.00 0.00 O ATOM 18 OE2 GLU A 2 7.061 -1.897 -0.265 1.00 0.00 O ATOM 0 H GLU A 2 6.743 1.047 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 2 3.956 1.256 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.777 1.320 -0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.525 -0.247 -1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.072 -0.246 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.177 1.124 -1.069 1.00 0.00 H new ATOM 25 N PHE A 3 6.512 3.228 -2.526 1.00 0.00 N ATOM 26 CA PHE A 3 6.962 4.639 -2.552 1.00 0.00 C ATOM 27 C PHE A 3 8.250 4.741 -3.375 1.00 0.00 C ATOM 28 O PHE A 3 9.277 4.212 -2.976 1.00 0.00 O ATOM 29 CB PHE A 3 7.189 5.154 -1.110 1.00 0.00 C ATOM 30 CG PHE A 3 5.923 5.208 -0.267 1.00 0.00 C ATOM 31 CD1 PHE A 3 5.055 6.295 -0.366 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.592 4.177 0.617 1.00 0.00 C ATOM 33 CE1 PHE A 3 3.899 6.349 0.383 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.430 4.239 1.368 1.00 0.00 C ATOM 35 CZ PHE A 3 3.591 5.324 1.251 1.00 0.00 C ATOM 0 H PHE A 3 7.165 2.592 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 3 6.195 5.260 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.916 4.510 -0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.626 6.152 -1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.292 7.106 -1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.248 3.325 0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.234 7.195 0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.182 3.436 2.046 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.688 5.372 1.842 1.00 0.00 H new ATOM 45 N VAL A 4 8.191 5.432 -4.522 1.00 0.00 N ATOM 46 CA VAL A 4 9.344 5.548 -5.429 1.00 0.00 C ATOM 47 C VAL A 4 10.245 6.713 -4.990 1.00 0.00 C ATOM 48 O VAL A 4 9.757 7.799 -4.646 1.00 0.00 O ATOM 49 CB VAL A 4 8.892 5.693 -6.932 1.00 0.00 C ATOM 50 CG1 VAL A 4 7.975 6.925 -7.154 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.121 5.686 -7.889 1.00 0.00 C ATOM 0 H VAL A 4 7.356 5.920 -4.845 1.00 0.00 H new ATOM 0 HA VAL A 4 9.922 4.626 -5.367 1.00 0.00 H new ATOM 0 HB VAL A 4 8.286 4.821 -7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.690 6.982 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.080 6.827 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.510 7.832 -6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.780 5.787 -8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.780 6.518 -7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.664 4.748 -7.777 1.00 0.00 H new ATOM 61 N VAL A 5 11.556 6.453 -4.970 1.00 0.00 N ATOM 62 CA VAL A 5 12.578 7.427 -4.572 1.00 0.00 C ATOM 63 C VAL A 5 13.496 7.743 -5.766 1.00 0.00 C ATOM 64 O VAL A 5 13.931 6.839 -6.492 1.00 0.00 O ATOM 65 CB VAL A 5 13.398 6.925 -3.313 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.869 5.456 -3.466 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.592 7.865 -2.994 1.00 0.00 C ATOM 0 H VAL A 5 11.943 5.547 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 5 12.081 8.350 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 5 12.714 6.956 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.426 5.158 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.002 4.806 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.510 5.369 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.130 7.488 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.266 7.901 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.220 8.868 -2.783 1.00 0.00 H new ATOM 77 N GLU A 6 13.728 9.052 -5.974 1.00 0.00 N ATOM 78 CA GLU A 6 14.656 9.581 -6.986 1.00 0.00 C ATOM 79 C GLU A 6 16.091 9.126 -6.651 1.00 0.00 C ATOM 80 O GLU A 6 16.745 8.452 -7.459 1.00 0.00 O ATOM 81 CB GLU A 6 14.566 11.138 -7.003 1.00 0.00 C ATOM 82 CG GLU A 6 15.371 11.844 -8.114 1.00 0.00 C ATOM 83 CD GLU A 6 14.814 11.565 -9.516 1.00 0.00 C ATOM 84 OE1 GLU A 6 13.797 12.189 -9.894 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.359 10.705 -10.241 1.00 0.00 O ATOM 0 H GLU A 6 13.267 9.783 -5.433 1.00 0.00 H new ATOM 0 HA GLU A 6 14.389 9.202 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.518 11.422 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.907 11.514 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.367 12.919 -7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.410 11.517 -8.068 1.00 0.00 H new ATOM 92 N LYS A 7 16.541 9.493 -5.425 1.00 0.00 N ATOM 93 CA LYS A 7 17.885 9.168 -4.904 1.00 0.00 C ATOM 94 C LYS A 7 18.009 9.551 -3.416 1.00 0.00 C ATOM 95 O LYS A 7 17.144 10.242 -2.862 1.00 0.00 O ATOM 96 CB LYS A 7 18.995 9.889 -5.723 1.00 0.00 C ATOM 97 CG LYS A 7 18.892 11.438 -5.736 1.00 0.00 C ATOM 98 CD LYS A 7 20.028 12.095 -6.556 1.00 0.00 C ATOM 99 CE LYS A 7 21.422 11.876 -5.938 1.00 0.00 C ATOM 100 NZ LYS A 7 21.576 12.590 -4.643 1.00 0.00 N ATOM 0 H LYS A 7 15.973 10.027 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 7 18.019 8.091 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.967 9.607 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.961 9.528 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.929 11.732 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.924 11.811 -4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.018 11.691 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.837 13.165 -6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.587 10.809 -5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 7 22.186 12.221 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.540 12.974 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 20.888 13.368 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.408 11.927 -3.859 1.00 0.00 H new ATOM 114 N VAL A 8 19.097 9.081 -2.786 1.00 0.00 N ATOM 115 CA VAL A 8 19.480 9.473 -1.419 1.00 0.00 C ATOM 116 C VAL A 8 20.167 10.858 -1.453 1.00 0.00 C ATOM 117 O VAL A 8 20.899 11.168 -2.394 1.00 0.00 O ATOM 118 CB VAL A 8 20.455 8.419 -0.774 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.850 8.828 0.669 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.859 6.981 -0.819 1.00 0.00 C ATOM 0 H VAL A 8 19.740 8.414 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 8 18.576 9.518 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 8 21.366 8.407 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.524 8.080 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.350 9.796 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.954 8.895 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.561 6.282 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.918 6.960 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.680 6.694 -1.855 1.00 0.00 H new ATOM 130 N LEU A 9 19.923 11.668 -0.413 1.00 0.00 N ATOM 131 CA LEU A 9 20.475 13.028 -0.272 1.00 0.00 C ATOM 132 C LEU A 9 21.550 13.078 0.827 1.00 0.00 C ATOM 133 O LEU A 9 22.609 13.692 0.643 1.00 0.00 O ATOM 134 CB LEU A 9 19.340 14.037 0.051 1.00 0.00 C ATOM 135 CG LEU A 9 18.233 14.212 -1.038 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.166 15.245 -0.591 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.853 14.580 -2.413 1.00 0.00 C ATOM 0 H LEU A 9 19.327 11.394 0.368 1.00 0.00 H new ATOM 0 HA LEU A 9 20.940 13.303 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.860 13.725 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.792 15.011 0.238 1.00 0.00 H new ATOM 0 HG LEU A 9 17.725 13.255 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.409 15.346 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.695 14.906 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.643 16.210 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.059 14.695 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.405 15.516 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.531 13.788 -2.730 1.00 0.00 H new ATOM 149 N ASP A 10 21.272 12.418 1.972 1.00 0.00 N ATOM 150 CA ASP A 10 22.155 12.447 3.157 1.00 0.00 C ATOM 151 C ASP A 10 22.014 11.132 3.956 1.00 0.00 C ATOM 152 O ASP A 10 21.091 10.357 3.718 1.00 0.00 O ATOM 153 CB ASP A 10 21.842 13.694 4.036 1.00 0.00 C ATOM 154 CG ASP A 10 22.911 13.960 5.113 1.00 0.00 C ATOM 155 OD1 ASP A 10 24.067 14.254 4.749 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.618 13.852 6.321 1.00 0.00 O ATOM 0 H ASP A 10 20.433 11.853 2.100 1.00 0.00 H new ATOM 0 HA ASP A 10 23.192 12.529 2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.756 14.571 3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.875 13.557 4.519 1.00 0.00 H new ATOM 161 N ARG A 11 22.966 10.874 4.867 1.00 0.00 N ATOM 162 CA ARG A 11 23.020 9.647 5.688 1.00 0.00 C ATOM 163 C ARG A 11 23.195 10.011 7.176 1.00 0.00 C ATOM 164 O ARG A 11 23.883 10.979 7.506 1.00 0.00 O ATOM 165 CB ARG A 11 24.202 8.769 5.197 1.00 0.00 C ATOM 166 CG ARG A 11 24.370 7.412 5.916 1.00 0.00 C ATOM 167 CD ARG A 11 25.557 6.603 5.368 1.00 0.00 C ATOM 168 NE ARG A 11 25.688 5.300 6.032 1.00 0.00 N ATOM 169 CZ ARG A 11 26.544 4.325 5.708 1.00 0.00 C ATOM 170 NH1 ARG A 11 27.516 4.523 4.837 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.451 3.157 6.315 1.00 0.00 N ATOM 0 H ARG A 11 23.732 11.519 5.059 1.00 0.00 H new ATOM 0 HA ARG A 11 22.088 9.090 5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.073 8.581 4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 11 25.125 9.337 5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.512 7.584 6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.455 6.830 5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.429 6.452 4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.477 7.172 5.502 1.00 0.00 H new ATOM 0 HE ARG A 11 25.064 5.121 6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.627 5.436 4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.156 3.763 4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.732 3.006 7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.098 2.405 6.077 1.00 0.00 H new ATOM 185 N ARG A 12 22.562 9.215 8.062 1.00 0.00 N ATOM 186 CA ARG A 12 22.670 9.349 9.534 1.00 0.00 C ATOM 187 C ARG A 12 22.715 7.950 10.189 1.00 0.00 C ATOM 188 O ARG A 12 22.450 6.938 9.528 1.00 0.00 O ATOM 189 CB ARG A 12 21.461 10.160 10.095 1.00 0.00 C ATOM 190 CG ARG A 12 20.110 9.404 10.057 1.00 0.00 C ATOM 191 CD ARG A 12 18.934 10.206 10.637 1.00 0.00 C ATOM 192 NE ARG A 12 19.102 10.522 12.059 1.00 0.00 N ATOM 193 CZ ARG A 12 18.151 11.024 12.853 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.905 11.182 12.414 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.449 11.342 14.090 1.00 0.00 N ATOM 0 H ARG A 12 21.952 8.450 7.774 1.00 0.00 H new ATOM 0 HA ARG A 12 23.590 9.884 9.770 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.676 10.443 11.125 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.363 11.084 9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.882 9.138 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.210 8.471 10.612 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.822 11.133 10.075 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.013 9.638 10.503 1.00 0.00 H new ATOM 0 HE ARG A 12 20.016 10.345 12.475 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.664 10.919 11.459 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.191 11.567 13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.398 11.205 14.437 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.731 11.726 14.705 1.00 0.00 H new ATOM 209 N VAL A 13 23.076 7.909 11.483 1.00 0.00 N ATOM 210 CA VAL A 13 22.945 6.714 12.335 1.00 0.00 C ATOM 211 C VAL A 13 22.153 7.100 13.598 1.00 0.00 C ATOM 212 O VAL A 13 22.676 7.798 14.475 1.00 0.00 O ATOM 213 CB VAL A 13 24.326 6.085 12.767 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.103 4.792 13.611 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.232 5.806 11.544 1.00 0.00 C ATOM 0 H VAL A 13 23.471 8.712 11.972 1.00 0.00 H new ATOM 0 HA VAL A 13 22.430 5.956 11.745 1.00 0.00 H new ATOM 0 HB VAL A 13 24.843 6.814 13.392 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.068 4.374 13.899 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.532 5.036 14.507 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.553 4.061 13.018 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.174 5.373 11.880 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.732 5.109 10.872 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.429 6.739 11.017 1.00 0.00 H new ATOM 225 N VAL A 14 20.895 6.627 13.691 1.00 0.00 N ATOM 226 CA VAL A 14 19.993 6.939 14.814 1.00 0.00 C ATOM 227 C VAL A 14 19.868 5.696 15.714 1.00 0.00 C ATOM 228 O VAL A 14 19.560 4.603 15.222 1.00 0.00 O ATOM 229 CB VAL A 14 18.582 7.430 14.304 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.885 6.385 13.392 1.00 0.00 C ATOM 231 CG2 VAL A 14 17.671 7.851 15.489 1.00 0.00 C ATOM 0 H VAL A 14 20.476 6.017 12.988 1.00 0.00 H new ATOM 0 HA VAL A 14 20.414 7.760 15.394 1.00 0.00 H new ATOM 0 HB VAL A 14 18.757 8.312 13.688 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.919 6.772 13.068 1.00 0.00 H new ATOM 0 HG12 VAL A 14 18.508 6.190 12.519 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.738 5.458 13.947 1.00 0.00 H new ATOM 0 HG21 VAL A 14 16.707 8.184 15.106 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.523 7.000 16.154 1.00 0.00 H new ATOM 0 HG23 VAL A 14 18.143 8.664 16.040 1.00 0.00 H new ATOM 241 N ASN A 15 20.135 5.879 17.026 1.00 0.00 N ATOM 242 CA ASN A 15 20.197 4.797 18.042 1.00 0.00 C ATOM 243 C ASN A 15 21.395 3.847 17.775 1.00 0.00 C ATOM 244 O ASN A 15 22.391 3.864 18.503 1.00 0.00 O ATOM 245 CB ASN A 15 18.842 4.028 18.155 1.00 0.00 C ATOM 246 CG ASN A 15 18.888 2.852 19.137 1.00 0.00 C ATOM 247 OD1 ASN A 15 19.124 1.710 18.742 1.00 0.00 O ATOM 248 ND2 ASN A 15 18.688 3.122 20.421 1.00 0.00 N ATOM 0 H ASN A 15 20.318 6.802 17.420 1.00 0.00 H new ATOM 0 HA ASN A 15 20.367 5.263 19.013 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.064 4.723 18.469 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.560 3.658 17.169 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.728 2.373 21.112 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.495 4.079 20.717 1.00 0.00 H new ATOM 255 N GLY A 16 21.276 3.042 16.718 1.00 0.00 N ATOM 256 CA GLY A 16 22.336 2.138 16.269 1.00 0.00 C ATOM 257 C GLY A 16 22.084 1.623 14.858 1.00 0.00 C ATOM 258 O GLY A 16 22.717 0.658 14.434 1.00 0.00 O ATOM 0 H GLY A 16 20.434 2.999 16.144 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.294 2.658 16.300 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.409 1.295 16.956 1.00 0.00 H new ATOM 262 N LYS A 17 21.169 2.286 14.117 1.00 0.00 N ATOM 263 CA LYS A 17 20.803 1.908 12.731 1.00 0.00 C ATOM 264 C LYS A 17 21.143 3.051 11.779 1.00 0.00 C ATOM 265 O LYS A 17 21.218 4.203 12.195 1.00 0.00 O ATOM 266 CB LYS A 17 19.287 1.568 12.613 1.00 0.00 C ATOM 267 CG LYS A 17 18.332 2.767 12.360 1.00 0.00 C ATOM 268 CD LYS A 17 16.874 2.327 12.079 1.00 0.00 C ATOM 269 CE LYS A 17 16.277 1.439 13.183 1.00 0.00 C ATOM 270 NZ LYS A 17 14.900 1.000 12.837 1.00 0.00 N ATOM 0 H LYS A 17 20.661 3.100 14.463 1.00 0.00 H new ATOM 0 HA LYS A 17 21.373 1.018 12.465 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.159 0.851 11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.975 1.070 13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.346 3.426 13.228 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.701 3.347 11.514 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.252 3.214 11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.842 1.787 11.133 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.912 0.566 13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.260 1.988 14.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.486 0.489 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.315 1.832 12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.934 0.372 12.009 1.00 0.00 H new ATOM 284 N VAL A 18 21.276 2.733 10.493 1.00 0.00 N ATOM 285 CA VAL A 18 21.616 3.710 9.455 1.00 0.00 C ATOM 286 C VAL A 18 20.353 4.123 8.673 1.00 0.00 C ATOM 287 O VAL A 18 19.707 3.272 8.056 1.00 0.00 O ATOM 288 CB VAL A 18 22.685 3.111 8.472 1.00 0.00 C ATOM 289 CG1 VAL A 18 22.979 4.083 7.316 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.985 2.715 9.229 1.00 0.00 C ATOM 0 H VAL A 18 21.151 1.785 10.137 1.00 0.00 H new ATOM 0 HA VAL A 18 22.036 4.594 9.936 1.00 0.00 H new ATOM 0 HB VAL A 18 22.270 2.201 8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.722 3.643 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.062 4.274 6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.362 5.021 7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.706 2.304 8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.410 3.597 9.709 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.751 1.967 9.986 1.00 0.00 H new ATOM 300 N GLU A 19 20.003 5.427 8.716 1.00 0.00 N ATOM 301 CA GLU A 19 18.954 6.004 7.846 1.00 0.00 C ATOM 302 C GLU A 19 19.551 6.840 6.709 1.00 0.00 C ATOM 303 O GLU A 19 20.706 7.267 6.759 1.00 0.00 O ATOM 304 CB GLU A 19 17.927 6.849 8.637 1.00 0.00 C ATOM 305 CG GLU A 19 17.218 6.101 9.777 1.00 0.00 C ATOM 306 CD GLU A 19 16.010 6.874 10.345 1.00 0.00 C ATOM 307 OE1 GLU A 19 16.195 7.997 10.869 1.00 0.00 O ATOM 308 OE2 GLU A 19 14.868 6.368 10.267 1.00 0.00 O ATOM 0 H GLU A 19 20.434 6.103 9.347 1.00 0.00 H new ATOM 0 HA GLU A 19 18.427 5.154 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.436 7.718 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.174 7.223 7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.883 5.130 9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.931 5.912 10.579 1.00 0.00 H new ATOM 315 N TYR A 20 18.720 7.057 5.682 1.00 0.00 N ATOM 316 CA TYR A 20 19.068 7.784 4.456 1.00 0.00 C ATOM 317 C TYR A 20 17.915 8.747 4.105 1.00 0.00 C ATOM 318 O TYR A 20 16.757 8.328 4.049 1.00 0.00 O ATOM 319 CB TYR A 20 19.303 6.788 3.283 1.00 0.00 C ATOM 320 CG TYR A 20 20.525 5.854 3.437 1.00 0.00 C ATOM 321 CD1 TYR A 20 21.795 6.241 2.993 1.00 0.00 C ATOM 322 CD2 TYR A 20 20.407 4.585 4.011 1.00 0.00 C ATOM 323 CE1 TYR A 20 22.885 5.403 3.112 1.00 0.00 C ATOM 324 CE2 TYR A 20 21.497 3.747 4.129 1.00 0.00 C ATOM 325 CZ TYR A 20 22.732 4.160 3.680 1.00 0.00 C ATOM 326 OH TYR A 20 23.826 3.330 3.801 1.00 0.00 O ATOM 0 H TYR A 20 17.757 6.721 5.682 1.00 0.00 H new ATOM 0 HA TYR A 20 19.987 8.348 4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.410 6.173 3.167 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.418 7.359 2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 20 21.925 7.216 2.548 1.00 0.00 H new ATOM 0 HD2 TYR A 20 19.444 4.254 4.369 1.00 0.00 H new ATOM 0 HE1 TYR A 20 23.855 5.722 2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 20 21.382 2.769 4.573 1.00 0.00 H new ATOM 0 HH TYR A 20 23.553 2.489 4.223 1.00 0.00 H new ATOM 336 N PHE A 21 18.234 10.033 3.885 1.00 0.00 N ATOM 337 CA PHE A 21 17.250 11.077 3.561 1.00 0.00 C ATOM 338 C PHE A 21 16.858 10.939 2.093 1.00 0.00 C ATOM 339 O PHE A 21 17.658 11.228 1.211 1.00 0.00 O ATOM 340 CB PHE A 21 17.871 12.473 3.849 1.00 0.00 C ATOM 341 CG PHE A 21 16.897 13.647 3.852 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.757 13.621 4.658 1.00 0.00 C ATOM 343 CD2 PHE A 21 17.126 14.785 3.080 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.892 14.693 4.696 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.256 15.855 3.115 1.00 0.00 C ATOM 346 CZ PHE A 21 15.136 15.807 3.918 1.00 0.00 C ATOM 0 H PHE A 21 19.192 10.380 3.928 1.00 0.00 H new ATOM 0 HA PHE A 21 16.356 10.969 4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.368 12.435 4.819 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.642 12.667 3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.550 12.748 5.260 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.998 14.830 2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.022 14.662 5.335 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.452 16.730 2.513 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.450 16.641 3.938 1.00 0.00 H new ATOM 356 N LEU A 22 15.646 10.457 1.836 1.00 0.00 N ATOM 357 CA LEU A 22 15.207 10.126 0.484 1.00 0.00 C ATOM 358 C LEU A 22 14.526 11.312 -0.179 1.00 0.00 C ATOM 359 O LEU A 22 13.539 11.836 0.347 1.00 0.00 O ATOM 360 CB LEU A 22 14.245 8.920 0.495 1.00 0.00 C ATOM 361 CG LEU A 22 14.827 7.560 0.994 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.878 6.414 0.600 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.269 7.312 0.479 1.00 0.00 C ATOM 0 H LEU A 22 14.943 10.285 2.555 1.00 0.00 H new ATOM 0 HA LEU A 22 16.097 9.866 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.389 9.174 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.868 8.777 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 22 14.899 7.600 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.287 5.466 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.901 6.578 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.773 6.385 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.629 6.354 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.269 7.299 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.924 8.109 0.832 1.00 0.00 H new ATOM 375 N LYS A 23 15.067 11.727 -1.337 1.00 0.00 N ATOM 376 CA LYS A 23 14.369 12.607 -2.265 1.00 0.00 C ATOM 377 C LYS A 23 13.357 11.717 -3.001 1.00 0.00 C ATOM 378 O LYS A 23 13.749 10.922 -3.855 1.00 0.00 O ATOM 379 CB LYS A 23 15.368 13.290 -3.265 1.00 0.00 C ATOM 380 CG LYS A 23 14.869 14.588 -3.966 1.00 0.00 C ATOM 381 CD LYS A 23 13.669 14.368 -4.922 1.00 0.00 C ATOM 382 CE LYS A 23 13.311 15.613 -5.743 1.00 0.00 C ATOM 383 NZ LYS A 23 12.827 16.718 -4.887 1.00 0.00 N ATOM 0 H LYS A 23 16.000 11.457 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 23 13.871 13.424 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.285 13.525 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.629 12.565 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.585 15.314 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.694 15.024 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.900 13.548 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.800 14.064 -4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.187 15.943 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.544 15.358 -6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.628 17.552 -5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.957 16.423 -4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.555 16.957 -4.184 1.00 0.00 H new ATOM 397 N TRP A 24 12.082 11.812 -2.624 1.00 0.00 N ATOM 398 CA TRP A 24 11.018 11.012 -3.232 1.00 0.00 C ATOM 399 C TRP A 24 10.704 11.521 -4.647 1.00 0.00 C ATOM 400 O TRP A 24 10.663 12.736 -4.888 1.00 0.00 O ATOM 401 CB TRP A 24 9.757 11.041 -2.357 1.00 0.00 C ATOM 402 CG TRP A 24 9.955 10.473 -0.979 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.060 11.165 0.183 1.00 0.00 C ATOM 404 CD2 TRP A 24 10.086 9.091 -0.634 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.221 10.307 1.236 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.245 9.026 0.758 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.081 7.904 -1.362 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.395 7.830 1.434 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.229 6.710 -0.691 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.376 6.677 0.696 1.00 0.00 C ATOM 0 H TRP A 24 11.758 12.443 -1.891 1.00 0.00 H new ATOM 0 HA TRP A 24 11.362 9.980 -3.306 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.413 12.071 -2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.966 10.483 -2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 24 10.022 12.241 0.265 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.309 10.578 2.215 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.963 7.919 -2.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.523 7.806 2.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.231 5.785 -1.248 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.477 5.725 1.196 1.00 0.00 H new ATOM 421 N LYS A 25 10.475 10.578 -5.563 1.00 0.00 N ATOM 422 CA LYS A 25 10.249 10.864 -6.976 1.00 0.00 C ATOM 423 C LYS A 25 8.744 11.053 -7.218 1.00 0.00 C ATOM 424 O LYS A 25 7.954 10.147 -6.944 1.00 0.00 O ATOM 425 CB LYS A 25 10.829 9.705 -7.826 1.00 0.00 C ATOM 426 CG LYS A 25 10.961 10.015 -9.327 1.00 0.00 C ATOM 427 CD LYS A 25 11.643 8.869 -10.106 1.00 0.00 C ATOM 428 CE LYS A 25 11.841 9.194 -11.594 1.00 0.00 C ATOM 429 NZ LYS A 25 12.789 10.315 -11.808 1.00 0.00 N ATOM 0 H LYS A 25 10.441 9.583 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 25 10.754 11.784 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.812 9.442 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.192 8.829 -7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.971 10.197 -9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.536 10.932 -9.457 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.611 8.655 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.041 7.965 -10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.209 8.307 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.878 9.446 -12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.439 10.924 -12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.871 10.872 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.722 9.936 -12.066 1.00 0.00 H new ATOM 443 N GLY A 26 8.357 12.243 -7.708 1.00 0.00 N ATOM 444 CA GLY A 26 6.942 12.598 -7.908 1.00 0.00 C ATOM 445 C GLY A 26 6.395 13.437 -6.755 1.00 0.00 C ATOM 446 O GLY A 26 5.549 14.320 -6.956 1.00 0.00 O ATOM 0 H GLY A 26 9.010 12.980 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.835 13.151 -8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.350 11.688 -8.007 1.00 0.00 H new ATOM 450 N PHE A 27 6.878 13.132 -5.541 1.00 0.00 N ATOM 451 CA PHE A 27 6.588 13.904 -4.317 1.00 0.00 C ATOM 452 C PHE A 27 7.498 15.150 -4.255 1.00 0.00 C ATOM 453 O PHE A 27 8.521 15.214 -4.952 1.00 0.00 O ATOM 454 CB PHE A 27 6.819 13.030 -3.057 1.00 0.00 C ATOM 455 CG PHE A 27 6.009 11.726 -2.990 1.00 0.00 C ATOM 456 CD1 PHE A 27 6.432 10.577 -3.664 1.00 0.00 C ATOM 457 CD2 PHE A 27 4.831 11.644 -2.237 1.00 0.00 C ATOM 458 CE1 PHE A 27 5.712 9.397 -3.592 1.00 0.00 C ATOM 459 CE2 PHE A 27 4.112 10.458 -2.164 1.00 0.00 C ATOM 460 CZ PHE A 27 4.551 9.337 -2.843 1.00 0.00 C ATOM 0 H PHE A 27 7.489 12.332 -5.377 1.00 0.00 H new ATOM 0 HA PHE A 27 5.544 14.216 -4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.879 12.781 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.584 13.627 -2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.337 10.610 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.477 12.515 -1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.058 8.522 -4.122 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.208 10.412 -1.575 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.989 8.416 -2.789 1.00 0.00 H new ATOM 470 N THR A 28 7.121 16.137 -3.418 1.00 0.00 N ATOM 471 CA THR A 28 7.921 17.363 -3.212 1.00 0.00 C ATOM 472 C THR A 28 9.052 17.118 -2.191 1.00 0.00 C ATOM 473 O THR A 28 9.107 16.058 -1.546 1.00 0.00 O ATOM 474 CB THR A 28 7.024 18.551 -2.725 1.00 0.00 C ATOM 475 OG1 THR A 28 6.433 18.239 -1.453 1.00 0.00 O ATOM 476 CG2 THR A 28 5.911 18.897 -3.737 1.00 0.00 C ATOM 0 H THR A 28 6.261 16.109 -2.870 1.00 0.00 H new ATOM 0 HA THR A 28 8.361 17.628 -4.174 1.00 0.00 H new ATOM 0 HB THR A 28 7.673 19.422 -2.631 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.168 17.296 -1.438 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.316 19.726 -3.354 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.360 19.181 -4.689 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.270 18.028 -3.884 1.00 0.00 H new ATOM 484 N ASP A 29 9.933 18.118 -2.030 1.00 0.00 N ATOM 485 CA ASP A 29 11.032 18.068 -1.051 1.00 0.00 C ATOM 486 C ASP A 29 10.514 18.189 0.391 1.00 0.00 C ATOM 487 O ASP A 29 11.234 17.866 1.334 1.00 0.00 O ATOM 488 CB ASP A 29 12.082 19.164 -1.345 1.00 0.00 C ATOM 489 CG ASP A 29 12.843 18.912 -2.652 1.00 0.00 C ATOM 490 OD1 ASP A 29 12.371 19.353 -3.724 1.00 0.00 O ATOM 491 OD2 ASP A 29 13.899 18.237 -2.624 1.00 0.00 O ATOM 0 H ASP A 29 9.904 18.981 -2.572 1.00 0.00 H new ATOM 0 HA ASP A 29 11.511 17.094 -1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.586 20.133 -1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.791 19.214 -0.519 1.00 0.00 H new ATOM 496 N ALA A 30 9.261 18.662 0.548 1.00 0.00 N ATOM 497 CA ALA A 30 8.567 18.711 1.852 1.00 0.00 C ATOM 498 C ALA A 30 8.120 17.298 2.299 1.00 0.00 C ATOM 499 O ALA A 30 7.841 17.072 3.480 1.00 0.00 O ATOM 500 CB ALA A 30 7.369 19.669 1.773 1.00 0.00 C ATOM 0 H ALA A 30 8.701 19.021 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 30 9.264 19.086 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.863 19.699 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.719 20.669 1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.674 19.320 1.010 1.00 0.00 H new ATOM 506 N ASP A 31 8.035 16.355 1.338 1.00 0.00 N ATOM 507 CA ASP A 31 7.705 14.944 1.614 1.00 0.00 C ATOM 508 C ASP A 31 8.966 14.120 1.929 1.00 0.00 C ATOM 509 O ASP A 31 8.839 13.014 2.476 1.00 0.00 O ATOM 510 CB ASP A 31 6.965 14.310 0.409 1.00 0.00 C ATOM 511 CG ASP A 31 5.585 14.934 0.134 1.00 0.00 C ATOM 512 OD1 ASP A 31 4.677 14.789 0.976 1.00 0.00 O ATOM 513 OD2 ASP A 31 5.398 15.577 -0.921 1.00 0.00 O ATOM 0 H ASP A 31 8.193 16.552 0.350 1.00 0.00 H new ATOM 0 HA ASP A 31 7.054 14.930 2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.585 14.413 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.842 13.242 0.590 1.00 0.00 H new ATOM 518 N ASN A 32 10.165 14.636 1.534 1.00 0.00 N ATOM 519 CA ASN A 32 11.463 13.958 1.782 1.00 0.00 C ATOM 520 C ASN A 32 11.641 13.593 3.262 1.00 0.00 C ATOM 521 O ASN A 32 11.603 14.470 4.135 1.00 0.00 O ATOM 522 CB ASN A 32 12.668 14.809 1.301 1.00 0.00 C ATOM 523 CG ASN A 32 12.695 15.075 -0.206 1.00 0.00 C ATOM 524 OD1 ASN A 32 11.976 14.445 -0.988 1.00 0.00 O ATOM 525 ND2 ASN A 32 13.566 15.979 -0.629 1.00 0.00 N ATOM 0 H ASN A 32 10.255 15.524 1.040 1.00 0.00 H new ATOM 0 HA ASN A 32 11.441 13.038 1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.655 15.764 1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.591 14.303 1.584 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.657 16.172 -1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.145 16.482 0.043 1.00 0.00 H new ATOM 532 N THR A 33 11.834 12.289 3.522 1.00 0.00 N ATOM 533 CA THR A 33 11.874 11.718 4.887 1.00 0.00 C ATOM 534 C THR A 33 13.032 10.707 5.030 1.00 0.00 C ATOM 535 O THR A 33 13.538 10.173 4.032 1.00 0.00 O ATOM 536 CB THR A 33 10.501 11.033 5.253 1.00 0.00 C ATOM 537 OG1 THR A 33 10.047 10.201 4.169 1.00 0.00 O ATOM 538 CG2 THR A 33 9.399 12.056 5.603 1.00 0.00 C ATOM 0 H THR A 33 11.968 11.593 2.788 1.00 0.00 H new ATOM 0 HA THR A 33 12.046 12.538 5.584 1.00 0.00 H new ATOM 0 HB THR A 33 10.687 10.426 6.139 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.229 9.261 4.379 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.477 11.528 5.846 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.714 12.651 6.460 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.227 12.712 4.750 1.00 0.00 H new ATOM 546 N TRP A 34 13.449 10.470 6.286 1.00 0.00 N ATOM 547 CA TRP A 34 14.558 9.562 6.622 1.00 0.00 C ATOM 548 C TRP A 34 14.073 8.110 6.663 1.00 0.00 C ATOM 549 O TRP A 34 13.319 7.723 7.565 1.00 0.00 O ATOM 550 CB TRP A 34 15.177 9.930 7.992 1.00 0.00 C ATOM 551 CG TRP A 34 15.896 11.245 8.002 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.409 12.464 8.369 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.249 11.455 7.614 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.385 13.414 8.238 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.522 12.819 7.772 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.253 10.607 7.139 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.766 13.359 7.473 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.484 11.136 6.849 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.733 12.500 7.017 1.00 0.00 C ATOM 0 H TRP A 34 13.022 10.907 7.103 1.00 0.00 H new ATOM 0 HA TRP A 34 15.317 9.668 5.847 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.386 9.954 8.742 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.873 9.145 8.288 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.402 12.652 8.712 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.280 14.405 8.453 1.00 0.00 H new ATOM 0 HE3 TRP A 34 18.062 9.553 7.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 18.964 14.414 7.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.270 10.491 6.486 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.713 12.889 6.782 1.00 0.00 H new ATOM 570 N GLU A 35 14.499 7.316 5.680 1.00 0.00 N ATOM 571 CA GLU A 35 14.194 5.887 5.620 1.00 0.00 C ATOM 572 C GLU A 35 15.486 5.077 5.826 1.00 0.00 C ATOM 573 O GLU A 35 16.457 5.286 5.086 1.00 0.00 O ATOM 574 CB GLU A 35 13.567 5.510 4.262 1.00 0.00 C ATOM 575 CG GLU A 35 12.302 6.299 3.869 1.00 0.00 C ATOM 576 CD GLU A 35 11.248 6.391 4.983 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.813 5.340 5.483 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.854 7.515 5.371 1.00 0.00 O ATOM 0 H GLU A 35 15.067 7.648 4.901 1.00 0.00 H new ATOM 0 HA GLU A 35 13.477 5.656 6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.317 5.651 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.321 4.448 4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.593 7.307 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.851 5.829 2.995 1.00 0.00 H new ATOM 585 N PRO A 36 15.526 4.146 6.823 1.00 0.00 N ATOM 586 CA PRO A 36 16.685 3.256 7.040 1.00 0.00 C ATOM 587 C PRO A 36 16.938 2.312 5.848 1.00 0.00 C ATOM 588 O PRO A 36 16.064 2.123 4.995 1.00 0.00 O ATOM 589 CB PRO A 36 16.340 2.502 8.351 1.00 0.00 C ATOM 590 CG PRO A 36 14.852 2.621 8.497 1.00 0.00 C ATOM 591 CD PRO A 36 14.451 3.906 7.816 1.00 0.00 C ATOM 0 HA PRO A 36 17.622 3.807 7.123 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.647 1.458 8.297 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.855 2.942 9.205 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.349 1.768 8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.566 2.635 9.549 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.478 3.814 7.334 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.377 4.728 8.529 1.00 0.00 H new ATOM 599 N GLU A 37 18.159 1.756 5.799 1.00 0.00 N ATOM 600 CA GLU A 37 18.604 0.797 4.755 1.00 0.00 C ATOM 601 C GLU A 37 17.639 -0.414 4.612 1.00 0.00 C ATOM 602 O GLU A 37 17.500 -0.981 3.518 1.00 0.00 O ATOM 603 CB GLU A 37 20.094 0.353 5.024 1.00 0.00 C ATOM 604 CG GLU A 37 20.521 0.190 6.515 1.00 0.00 C ATOM 605 CD GLU A 37 19.649 -0.768 7.337 1.00 0.00 C ATOM 606 OE1 GLU A 37 19.770 -1.996 7.148 1.00 0.00 O ATOM 607 OE2 GLU A 37 18.800 -0.298 8.131 1.00 0.00 O ATOM 0 H GLU A 37 18.881 1.958 6.490 1.00 0.00 H new ATOM 0 HA GLU A 37 18.574 1.308 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.262 -0.597 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.755 1.084 4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.552 -0.164 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.506 1.170 6.991 1.00 0.00 H new ATOM 614 N GLU A 38 16.979 -0.768 5.726 1.00 0.00 N ATOM 615 CA GLU A 38 16.004 -1.868 5.792 1.00 0.00 C ATOM 616 C GLU A 38 14.740 -1.540 4.964 1.00 0.00 C ATOM 617 O GLU A 38 14.082 -2.440 4.430 1.00 0.00 O ATOM 618 CB GLU A 38 15.633 -2.155 7.278 1.00 0.00 C ATOM 619 CG GLU A 38 15.032 -0.945 8.015 1.00 0.00 C ATOM 620 CD GLU A 38 14.606 -1.228 9.462 1.00 0.00 C ATOM 621 OE1 GLU A 38 13.541 -1.849 9.656 1.00 0.00 O ATOM 622 OE2 GLU A 38 15.311 -0.812 10.413 1.00 0.00 O ATOM 0 H GLU A 38 17.109 -0.292 6.618 1.00 0.00 H new ATOM 0 HA GLU A 38 16.457 -2.761 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.921 -2.979 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.527 -2.484 7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.763 -0.137 8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.165 -0.590 7.457 1.00 0.00 H new ATOM 629 N ASN A 39 14.400 -0.241 4.890 1.00 0.00 N ATOM 630 CA ASN A 39 13.245 0.266 4.123 1.00 0.00 C ATOM 631 C ASN A 39 13.580 0.381 2.632 1.00 0.00 C ATOM 632 O ASN A 39 12.697 0.232 1.784 1.00 0.00 O ATOM 633 CB ASN A 39 12.777 1.642 4.677 1.00 0.00 C ATOM 634 CG ASN A 39 12.120 1.567 6.062 1.00 0.00 C ATOM 635 OD1 ASN A 39 12.429 0.692 6.867 1.00 0.00 O ATOM 636 ND2 ASN A 39 11.204 2.473 6.348 1.00 0.00 N ATOM 0 H ASN A 39 14.923 0.494 5.365 1.00 0.00 H new ATOM 0 HA ASN A 39 12.431 -0.450 4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.635 2.312 4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.070 2.084 3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.736 2.456 7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.964 3.190 5.663 1.00 0.00 H new ATOM 643 N LEU A 40 14.860 0.640 2.319 1.00 0.00 N ATOM 644 CA LEU A 40 15.303 0.889 0.937 1.00 0.00 C ATOM 645 C LEU A 40 15.303 -0.416 0.135 1.00 0.00 C ATOM 646 O LEU A 40 16.053 -1.336 0.463 1.00 0.00 O ATOM 647 CB LEU A 40 16.721 1.523 0.913 1.00 0.00 C ATOM 648 CG LEU A 40 16.955 2.749 1.855 1.00 0.00 C ATOM 649 CD1 LEU A 40 18.267 3.476 1.510 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.766 3.719 1.858 1.00 0.00 C ATOM 0 H LEU A 40 15.610 0.683 3.009 1.00 0.00 H new ATOM 0 HA LEU A 40 14.604 1.589 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.444 0.750 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.939 1.832 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 40 17.043 2.355 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.401 4.323 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.105 2.788 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.226 3.833 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.978 4.553 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.602 4.097 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.872 3.198 2.200 1.00 0.00 H new ATOM 662 N ASP A 41 14.451 -0.497 -0.907 1.00 0.00 N ATOM 663 CA ASP A 41 14.443 -1.643 -1.837 1.00 0.00 C ATOM 664 C ASP A 41 15.466 -1.393 -2.975 1.00 0.00 C ATOM 665 O ASP A 41 15.741 -2.280 -3.786 1.00 0.00 O ATOM 666 CB ASP A 41 13.004 -1.876 -2.383 1.00 0.00 C ATOM 667 CG ASP A 41 12.890 -3.085 -3.338 1.00 0.00 C ATOM 668 OD1 ASP A 41 12.939 -4.240 -2.861 1.00 0.00 O ATOM 669 OD2 ASP A 41 12.747 -2.890 -4.562 1.00 0.00 O ATOM 0 H ASP A 41 13.759 0.219 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 41 14.742 -2.551 -1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.326 -2.023 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.674 -0.979 -2.906 1.00 0.00 H new ATOM 674 N CYS A 42 16.029 -0.162 -3.000 1.00 0.00 N ATOM 675 CA CYS A 42 17.032 0.287 -3.975 1.00 0.00 C ATOM 676 C CYS A 42 18.462 0.054 -3.438 1.00 0.00 C ATOM 677 O CYS A 42 18.956 0.858 -2.646 1.00 0.00 O ATOM 678 CB CYS A 42 16.786 1.784 -4.280 1.00 0.00 C ATOM 679 SG CYS A 42 16.699 2.839 -2.810 1.00 0.00 S ATOM 0 H CYS A 42 15.787 0.560 -2.322 1.00 0.00 H new ATOM 0 HA CYS A 42 16.937 -0.290 -4.895 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.585 2.147 -4.927 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.855 1.881 -4.838 1.00 0.00 H new ATOM 0 HG CYS A 42 17.671 2.537 -2.001 1.00 0.00 H new ATOM 685 N PRO A 43 19.156 -1.058 -3.852 1.00 0.00 N ATOM 686 CA PRO A 43 20.546 -1.335 -3.407 1.00 0.00 C ATOM 687 C PRO A 43 21.568 -0.441 -4.147 1.00 0.00 C ATOM 688 O PRO A 43 22.650 -0.130 -3.631 1.00 0.00 O ATOM 689 CB PRO A 43 20.721 -2.831 -3.764 1.00 0.00 C ATOM 690 CG PRO A 43 19.855 -3.036 -4.972 1.00 0.00 C ATOM 691 CD PRO A 43 18.659 -2.127 -4.779 1.00 0.00 C ATOM 0 HA PRO A 43 20.715 -1.124 -2.351 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.763 -3.068 -3.979 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.411 -3.474 -2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.393 -2.786 -5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.545 -4.077 -5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.321 -1.707 -5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.814 -2.666 -4.349 1.00 0.00 H new ATOM 699 N GLU A 44 21.171 -0.027 -5.365 1.00 0.00 N ATOM 700 CA GLU A 44 21.986 0.776 -6.286 1.00 0.00 C ATOM 701 C GLU A 44 22.010 2.257 -5.876 1.00 0.00 C ATOM 702 O GLU A 44 22.997 2.933 -6.128 1.00 0.00 O ATOM 703 CB GLU A 44 21.443 0.596 -7.728 1.00 0.00 C ATOM 704 CG GLU A 44 19.955 0.979 -7.908 1.00 0.00 C ATOM 705 CD GLU A 44 19.348 0.427 -9.202 1.00 0.00 C ATOM 706 OE1 GLU A 44 19.563 1.022 -10.277 1.00 0.00 O ATOM 707 OE2 GLU A 44 18.672 -0.622 -9.149 1.00 0.00 O ATOM 0 H GLU A 44 20.250 -0.249 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 44 23.018 0.427 -6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 44 22.045 1.200 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 44 21.575 -0.444 -8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.384 0.607 -7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 44 19.862 2.065 -7.904 1.00 0.00 H new ATOM 714 N LEU A 45 20.923 2.753 -5.244 1.00 0.00 N ATOM 715 CA LEU A 45 20.857 4.151 -4.747 1.00 0.00 C ATOM 716 C LEU A 45 21.650 4.319 -3.445 1.00 0.00 C ATOM 717 O LEU A 45 22.138 5.418 -3.154 1.00 0.00 O ATOM 718 CB LEU A 45 19.384 4.626 -4.578 1.00 0.00 C ATOM 719 CG LEU A 45 18.626 4.933 -5.909 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.149 5.316 -5.638 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.362 6.034 -6.716 1.00 0.00 C ATOM 0 H LEU A 45 20.079 2.209 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 45 21.322 4.788 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.832 3.860 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.377 5.524 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 45 18.618 4.026 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.648 5.524 -6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.646 4.491 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.113 6.203 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.818 6.233 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.415 6.946 -6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 45 20.371 5.697 -6.955 1.00 0.00 H new ATOM 733 N ILE A 46 21.775 3.224 -2.670 1.00 0.00 N ATOM 734 CA ILE A 46 22.647 3.188 -1.480 1.00 0.00 C ATOM 735 C ILE A 46 24.113 3.264 -1.942 1.00 0.00 C ATOM 736 O ILE A 46 24.864 4.145 -1.526 1.00 0.00 O ATOM 737 CB ILE A 46 22.430 1.880 -0.620 1.00 0.00 C ATOM 738 CG1 ILE A 46 20.923 1.705 -0.248 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.311 1.895 0.656 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.579 0.412 0.488 1.00 0.00 C ATOM 0 H ILE A 46 21.281 2.350 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 46 22.394 4.038 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 46 22.735 1.028 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.618 2.549 0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.332 1.751 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.140 0.982 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.362 1.954 0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.052 2.759 1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.510 0.387 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.845 -0.443 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.136 0.367 1.424 1.00 0.00 H new ATOM 752 N GLU A 47 24.464 2.348 -2.866 1.00 0.00 N ATOM 753 CA GLU A 47 25.826 2.206 -3.412 1.00 0.00 C ATOM 754 C GLU A 47 26.298 3.505 -4.089 1.00 0.00 C ATOM 755 O GLU A 47 27.374 4.012 -3.774 1.00 0.00 O ATOM 756 CB GLU A 47 25.863 1.044 -4.437 1.00 0.00 C ATOM 757 CG GLU A 47 27.242 0.797 -5.083 1.00 0.00 C ATOM 758 CD GLU A 47 27.227 -0.340 -6.115 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.397 -1.519 -5.728 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.027 -0.070 -7.316 1.00 0.00 O ATOM 0 H GLU A 47 23.801 1.679 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 47 26.499 1.990 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.541 0.129 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.139 1.250 -5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.580 1.714 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.966 0.562 -4.303 1.00 0.00 H new ATOM 767 N ALA A 48 25.458 4.025 -5.010 1.00 0.00 N ATOM 768 CA ALA A 48 25.773 5.218 -5.832 1.00 0.00 C ATOM 769 C ALA A 48 26.044 6.447 -4.953 1.00 0.00 C ATOM 770 O ALA A 48 26.978 7.210 -5.208 1.00 0.00 O ATOM 771 CB ALA A 48 24.634 5.522 -6.820 1.00 0.00 C ATOM 0 H ALA A 48 24.539 3.629 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 48 26.678 4.992 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.890 6.402 -7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.490 4.669 -7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.714 5.711 -6.267 1.00 0.00 H new ATOM 777 N PHE A 49 25.213 6.612 -3.909 1.00 0.00 N ATOM 778 CA PHE A 49 25.363 7.681 -2.903 1.00 0.00 C ATOM 779 C PHE A 49 26.721 7.571 -2.180 1.00 0.00 C ATOM 780 O PHE A 49 27.453 8.562 -2.069 1.00 0.00 O ATOM 781 CB PHE A 49 24.183 7.619 -1.896 1.00 0.00 C ATOM 782 CG PHE A 49 24.331 8.544 -0.694 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.185 9.923 -0.830 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.634 8.034 0.568 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.330 10.758 0.259 1.00 0.00 C ATOM 786 CE2 PHE A 49 24.776 8.870 1.651 1.00 0.00 C ATOM 787 CZ PHE A 49 24.628 10.233 1.497 1.00 0.00 C ATOM 0 H PHE A 49 24.412 6.004 -3.737 1.00 0.00 H new ATOM 0 HA PHE A 49 25.341 8.647 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.261 7.869 -2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.079 6.594 -1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.956 10.343 -1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.759 6.969 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.210 11.825 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.004 8.459 2.623 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.746 10.888 2.347 1.00 0.00 H new ATOM 797 N LEU A 50 27.048 6.347 -1.721 1.00 0.00 N ATOM 798 CA LEU A 50 28.312 6.056 -1.011 1.00 0.00 C ATOM 799 C LEU A 50 29.534 6.237 -1.945 1.00 0.00 C ATOM 800 O LEU A 50 30.643 6.501 -1.480 1.00 0.00 O ATOM 801 CB LEU A 50 28.288 4.622 -0.402 1.00 0.00 C ATOM 802 CG LEU A 50 27.165 4.327 0.651 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.308 2.905 1.238 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.121 5.403 1.760 1.00 0.00 C ATOM 0 H LEU A 50 26.445 5.532 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 50 28.408 6.772 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.187 3.907 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.254 4.435 0.068 1.00 0.00 H new ATOM 0 HG LEU A 50 26.209 4.371 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.515 2.730 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.233 2.171 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.277 2.809 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.330 5.162 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.079 5.429 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 50 26.924 6.378 1.314 1.00 0.00 H new ATOM 816 N ASN A 51 29.311 6.080 -3.267 1.00 0.00 N ATOM 817 CA ASN A 51 30.350 6.285 -4.303 1.00 0.00 C ATOM 818 C ASN A 51 30.538 7.780 -4.630 1.00 0.00 C ATOM 819 O ASN A 51 31.611 8.181 -5.089 1.00 0.00 O ATOM 820 CB ASN A 51 29.995 5.509 -5.609 1.00 0.00 C ATOM 821 CG ASN A 51 30.009 3.986 -5.452 1.00 0.00 C ATOM 822 OD1 ASN A 51 30.736 3.431 -4.636 1.00 0.00 O ATOM 823 ND2 ASN A 51 29.217 3.297 -6.253 1.00 0.00 N ATOM 0 H ASN A 51 28.405 5.807 -3.648 1.00 0.00 H new ATOM 0 HA ASN A 51 31.285 5.898 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 51 29.006 5.820 -5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.702 5.790 -6.390 1.00 0.00 H new ATOM 0 HD21 ASN A 51 29.201 2.278 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 51 28.622 3.783 -6.923 1.00 0.00 H new ATOM 830 N SER A 52 29.476 8.591 -4.438 1.00 0.00 N ATOM 831 CA SER A 52 29.510 10.046 -4.729 1.00 0.00 C ATOM 832 C SER A 52 30.419 10.764 -3.715 1.00 0.00 C ATOM 833 O SER A 52 31.345 11.503 -4.085 1.00 0.00 O ATOM 834 CB SER A 52 28.079 10.633 -4.670 1.00 0.00 C ATOM 835 OG SER A 52 27.209 9.938 -5.544 1.00 0.00 O ATOM 0 H SER A 52 28.578 8.263 -4.081 1.00 0.00 H new ATOM 0 HA SER A 52 29.911 10.197 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.699 10.573 -3.650 1.00 0.00 H new ATOM 0 HB3 SER A 52 28.104 11.689 -4.940 1.00 0.00 H new ATOM 0 HG SER A 52 27.181 8.991 -5.293 1.00 0.00 H new ATOM 841 N GLN A 53 30.142 10.498 -2.435 1.00 0.00 N ATOM 842 CA GLN A 53 30.879 11.080 -1.304 1.00 0.00 C ATOM 843 C GLN A 53 32.214 10.343 -1.070 1.00 0.00 C ATOM 844 O GLN A 53 33.253 10.997 -0.937 1.00 0.00 O ATOM 845 CB GLN A 53 29.985 11.055 -0.024 1.00 0.00 C ATOM 846 CG GLN A 53 29.331 9.683 0.256 1.00 0.00 C ATOM 847 CD GLN A 53 28.406 9.648 1.461 1.00 0.00 C ATOM 848 OE1 GLN A 53 27.839 10.656 1.859 1.00 0.00 O ATOM 849 NE2 GLN A 53 28.194 8.470 2.004 1.00 0.00 N ATOM 0 H GLN A 53 29.393 9.867 -2.150 1.00 0.00 H new ATOM 0 HA GLN A 53 31.122 12.116 -1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.591 11.340 0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 53 29.202 11.806 -0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.767 9.379 -0.626 1.00 0.00 H new ATOM 0 HG3 GLN A 53 30.119 8.944 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.683 7.649 1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.540 8.377 2.781 1.00 0.00 H new ATOM 858 N LYS A 54 32.169 8.986 -1.074 1.00 0.00 N ATOM 859 CA LYS A 54 33.303 8.103 -0.713 1.00 0.00 C ATOM 860 C LYS A 54 33.781 8.374 0.740 1.00 0.00 C ATOM 861 O LYS A 54 33.217 7.771 1.672 1.00 0.00 O ATOM 862 CB LYS A 54 34.459 8.191 -1.763 1.00 0.00 C ATOM 863 CG LYS A 54 34.097 7.593 -3.140 1.00 0.00 C ATOM 864 CD LYS A 54 35.223 7.756 -4.184 1.00 0.00 C ATOM 865 CE LYS A 54 35.532 9.231 -4.500 1.00 0.00 C ATOM 866 NZ LYS A 54 36.564 9.379 -5.557 1.00 0.00 N ATOM 867 OXT LYS A 54 34.685 9.204 0.949 1.00 0.00 O ATOM 0 H LYS A 54 31.329 8.469 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 54 32.952 7.071 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 54 34.740 9.236 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 54 35.334 7.672 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 54 33.870 6.534 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 54 33.192 8.073 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 54 36.127 7.271 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 54 34.938 7.244 -5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 54 34.617 9.731 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 54 35.871 9.731 -3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 36.737 10.389 -5.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 37.447 8.926 -5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 36.232 8.926 -6.432 1.00 0.00 H new TER 881 LYS A 54 ATOM 882 N ALA B 1 19.907 0.985 -18.663 1.00 0.00 N ATOM 883 CA ALA B 1 19.781 1.847 -17.465 1.00 0.00 C ATOM 884 C ALA B 1 18.303 1.972 -17.058 1.00 0.00 C ATOM 885 O ALA B 1 17.457 2.337 -17.886 1.00 0.00 O ATOM 886 CB ALA B 1 20.399 3.229 -17.729 1.00 0.00 C ATOM 0 H1 ALA B 1 20.909 0.907 -18.930 1.00 0.00 H new ATOM 0 H2 ALA B 1 19.530 0.039 -18.451 1.00 0.00 H new ATOM 0 H3 ALA B 1 19.371 1.403 -19.450 1.00 0.00 H new ATOM 0 HA ALA B 1 20.327 1.388 -16.641 1.00 0.00 H new ATOM 0 HB1 ALA B 1 20.298 3.849 -16.838 1.00 0.00 H new ATOM 0 HB2 ALA B 1 21.455 3.115 -17.973 1.00 0.00 H new ATOM 0 HB3 ALA B 1 19.883 3.705 -18.563 1.00 0.00 H new ATOM 894 N ARG B 2 17.999 1.653 -15.780 1.00 0.00 N ATOM 895 CA ARG B 2 16.631 1.734 -15.226 1.00 0.00 C ATOM 896 C ARG B 2 16.683 1.843 -13.686 1.00 0.00 C ATOM 897 O ARG B 2 16.207 0.959 -12.961 1.00 0.00 O ATOM 898 CB ARG B 2 15.755 0.524 -15.709 1.00 0.00 C ATOM 899 CG ARG B 2 16.348 -0.884 -15.430 1.00 0.00 C ATOM 900 CD ARG B 2 15.428 -2.025 -15.905 1.00 0.00 C ATOM 901 NE ARG B 2 15.220 -1.991 -17.360 1.00 0.00 N ATOM 902 CZ ARG B 2 14.629 -2.945 -18.083 1.00 0.00 C ATOM 903 NH1 ARG B 2 14.150 -4.044 -17.516 1.00 0.00 N ATOM 904 NH2 ARG B 2 14.524 -2.788 -19.384 1.00 0.00 N ATOM 0 H ARG B 2 18.694 1.333 -15.106 1.00 0.00 H new ATOM 0 HA ARG B 2 16.151 2.637 -15.602 1.00 0.00 H new ATOM 0 HB2 ARG B 2 14.779 0.590 -15.228 1.00 0.00 H new ATOM 0 HB3 ARG B 2 15.589 0.623 -16.782 1.00 0.00 H new ATOM 0 HG2 ARG B 2 17.314 -0.971 -15.928 1.00 0.00 H new ATOM 0 HG3 ARG B 2 16.529 -0.991 -14.361 1.00 0.00 H new ATOM 0 HD2 ARG B 2 15.863 -2.984 -15.623 1.00 0.00 H new ATOM 0 HD3 ARG B 2 14.466 -1.950 -15.399 1.00 0.00 H new ATOM 0 HE ARG B 2 15.556 -1.168 -17.860 1.00 0.00 H new ATOM 0 HH11 ARG B 2 14.229 -4.174 -16.507 1.00 0.00 H new ATOM 0 HH12 ARG B 2 13.702 -4.760 -18.089 1.00 0.00 H new ATOM 0 HH21 ARG B 2 14.892 -1.946 -19.827 1.00 0.00 H new ATOM 0 HH22 ARG B 2 14.075 -3.508 -19.950 1.00 0.00 H new ATOM 918 N THR B 3 17.283 2.943 -13.186 1.00 0.00 N ATOM 919 CA THR B 3 17.307 3.258 -11.743 1.00 0.00 C ATOM 920 C THR B 3 15.950 3.872 -11.328 1.00 0.00 C ATOM 921 O THR B 3 15.824 5.074 -11.078 1.00 0.00 O ATOM 922 CB THR B 3 18.508 4.202 -11.389 1.00 0.00 C ATOM 923 OG1 THR B 3 19.718 3.635 -11.909 1.00 0.00 O ATOM 924 CG2 THR B 3 18.671 4.402 -9.873 1.00 0.00 C ATOM 0 H THR B 3 17.761 3.633 -13.766 1.00 0.00 H new ATOM 0 HA THR B 3 17.457 2.338 -11.178 1.00 0.00 H new ATOM 0 HB THR B 3 18.302 5.175 -11.835 1.00 0.00 H new ATOM 0 HG1 THR B 3 19.869 2.757 -11.501 1.00 0.00 H new ATOM 0 HG21 THR B 3 19.516 5.063 -9.682 1.00 0.00 H new ATOM 0 HG22 THR B 3 17.763 4.846 -9.465 1.00 0.00 H new ATOM 0 HG23 THR B 3 18.849 3.438 -9.396 1.00 0.00 H new ATOM 932 N LYS B 4 14.915 3.011 -11.335 1.00 0.00 N ATOM 933 CA LYS B 4 13.526 3.365 -11.008 1.00 0.00 C ATOM 934 C LYS B 4 13.031 2.344 -9.991 1.00 0.00 C ATOM 935 O LYS B 4 12.286 1.415 -10.328 1.00 0.00 O ATOM 936 CB LYS B 4 12.629 3.356 -12.290 1.00 0.00 C ATOM 937 CG LYS B 4 13.068 4.316 -13.414 1.00 0.00 C ATOM 938 CD LYS B 4 13.105 5.797 -12.968 1.00 0.00 C ATOM 939 CE LYS B 4 13.479 6.749 -14.118 1.00 0.00 C ATOM 940 NZ LYS B 4 12.475 6.730 -15.210 1.00 0.00 N ATOM 0 H LYS B 4 15.027 2.026 -11.575 1.00 0.00 H new ATOM 0 HA LYS B 4 13.475 4.373 -10.596 1.00 0.00 H new ATOM 0 HB2 LYS B 4 12.607 2.342 -12.690 1.00 0.00 H new ATOM 0 HB3 LYS B 4 11.609 3.606 -12.000 1.00 0.00 H new ATOM 0 HG2 LYS B 4 14.057 4.024 -13.767 1.00 0.00 H new ATOM 0 HG3 LYS B 4 12.386 4.214 -14.258 1.00 0.00 H new ATOM 0 HD2 LYS B 4 12.130 6.078 -12.570 1.00 0.00 H new ATOM 0 HD3 LYS B 4 13.825 5.911 -12.157 1.00 0.00 H new ATOM 0 HE2 LYS B 4 13.574 7.764 -13.731 1.00 0.00 H new ATOM 0 HE3 LYS B 4 14.453 6.468 -14.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 12.674 7.501 -15.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 12.522 5.819 -15.709 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 11.524 6.857 -14.809 1.00 0.00 H new ATOM 954 N GLN B 5 13.521 2.473 -8.756 1.00 0.00 N ATOM 955 CA GLN B 5 13.260 1.495 -7.687 1.00 0.00 C ATOM 956 C GLN B 5 12.445 2.148 -6.564 1.00 0.00 C ATOM 957 O GLN B 5 12.383 3.383 -6.456 1.00 0.00 O ATOM 958 CB GLN B 5 14.600 0.918 -7.133 1.00 0.00 C ATOM 959 CG GLN B 5 14.453 -0.446 -6.407 1.00 0.00 C ATOM 960 CD GLN B 5 14.429 -1.663 -7.342 1.00 0.00 C ATOM 961 OE1 GLN B 5 14.036 -1.582 -8.505 1.00 0.00 O ATOM 962 NE2 GLN B 5 14.798 -2.817 -6.818 1.00 0.00 N ATOM 0 H GLN B 5 14.109 3.254 -8.465 1.00 0.00 H new ATOM 0 HA GLN B 5 12.682 0.669 -8.101 1.00 0.00 H new ATOM 0 HB2 GLN B 5 15.302 0.804 -7.959 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.035 1.640 -6.442 1.00 0.00 H new ATOM 0 HG2 GLN B 5 15.278 -0.560 -5.703 1.00 0.00 H new ATOM 0 HG3 GLN B 5 13.534 -0.435 -5.821 1.00 0.00 H new ATOM 0 HE21 GLN B 5 15.120 -2.858 -5.851 1.00 0.00 H new ATOM 0 HE22 GLN B 5 14.761 -3.667 -7.380 1.00 0.00 H new ATOM 971 N THR B 6 11.832 1.306 -5.728 1.00 0.00 N ATOM 972 CA THR B 6 10.955 1.740 -4.641 1.00 0.00 C ATOM 973 C THR B 6 11.688 1.710 -3.281 1.00 0.00 C ATOM 974 O THR B 6 12.864 1.307 -3.165 1.00 0.00 O ATOM 975 CB THR B 6 9.659 0.848 -4.609 1.00 0.00 C ATOM 976 OG1 THR B 6 8.668 1.418 -3.742 1.00 0.00 O ATOM 977 CG2 THR B 6 9.955 -0.600 -4.174 1.00 0.00 C ATOM 0 H THR B 6 11.933 0.293 -5.789 1.00 0.00 H new ATOM 0 HA THR B 6 10.662 2.774 -4.825 1.00 0.00 H new ATOM 0 HB THR B 6 9.276 0.819 -5.629 1.00 0.00 H new ATOM 0 HG1 THR B 6 8.705 0.976 -2.868 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.029 -1.175 -4.168 1.00 0.00 H new ATOM 0 HG22 THR B 6 10.659 -1.053 -4.872 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.387 -0.598 -3.173 1.00 0.00 H new ATOM 985 N ALA B 7 10.957 2.150 -2.266 1.00 0.00 N ATOM 986 CA ALA B 7 11.367 2.165 -0.876 1.00 0.00 C ATOM 987 C ALA B 7 10.105 2.090 -0.016 1.00 0.00 C ATOM 988 O ALA B 7 8.980 2.335 -0.496 1.00 0.00 O ATOM 989 CB ALA B 7 12.197 3.418 -0.554 1.00 0.00 C ATOM 0 H ALA B 7 10.017 2.523 -2.400 1.00 0.00 H new ATOM 0 HA ALA B 7 12.010 1.310 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.490 3.401 0.496 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.090 3.434 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.601 4.309 -0.750 1.00 0.00 H new ATOM 995 N ARG B 8 10.309 1.761 1.249 1.00 0.00 N ATOM 996 CA ARG B 8 9.244 1.480 2.212 1.00 0.00 C ATOM 997 C ARG B 8 9.272 2.562 3.296 1.00 0.00 C ATOM 998 O ARG B 8 10.276 3.271 3.436 1.00 0.00 O ATOM 999 CB ARG B 8 9.494 0.057 2.797 1.00 0.00 C ATOM 1000 CG ARG B 8 8.332 -0.552 3.612 1.00 0.00 C ATOM 1001 CD ARG B 8 8.619 -2.004 4.030 1.00 0.00 C ATOM 1002 NE ARG B 8 7.425 -2.684 4.549 1.00 0.00 N ATOM 1003 CZ ARG B 8 7.433 -3.834 5.228 1.00 0.00 C ATOM 1004 NH1 ARG B 8 8.581 -4.393 5.614 1.00 0.00 N ATOM 1005 NH2 ARG B 8 6.291 -4.402 5.542 1.00 0.00 N ATOM 0 H ARG B 8 11.243 1.678 1.650 1.00 0.00 H new ATOM 0 HA ARG B 8 8.257 1.496 1.750 1.00 0.00 H new ATOM 0 HB2 ARG B 8 9.727 -0.618 1.973 1.00 0.00 H new ATOM 0 HB3 ARG B 8 10.377 0.098 3.435 1.00 0.00 H new ATOM 0 HG2 ARG B 8 8.157 0.053 4.501 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.418 -0.519 3.019 1.00 0.00 H new ATOM 0 HD2 ARG B 8 9.005 -2.556 3.173 1.00 0.00 H new ATOM 0 HD3 ARG B 8 9.399 -2.013 4.792 1.00 0.00 H new ATOM 0 HE ARG B 8 6.521 -2.244 4.378 1.00 0.00 H new ATOM 0 HH11 ARG B 8 9.468 -3.942 5.391 1.00 0.00 H new ATOM 0 HH12 ARG B 8 8.572 -5.272 6.132 1.00 0.00 H new ATOM 0 HH21 ARG B 8 5.411 -3.965 5.267 1.00 0.00 H new ATOM 0 HH22 ARG B 8 6.284 -5.280 6.060 1.00 0.00 H new HETATM 1019 N M3L B 9 8.168 2.706 4.041 1.00 0.00 N HETATM 1020 CA M3L B 9 8.079 3.646 5.169 1.00 0.00 C HETATM 1021 CB M3L B 9 7.087 4.802 4.872 1.00 0.00 C HETATM 1022 CG M3L B 9 7.535 5.777 3.760 1.00 0.00 C HETATM 1023 CD M3L B 9 6.606 7.009 3.682 1.00 0.00 C HETATM 1024 CE M3L B 9 7.075 8.076 2.666 1.00 0.00 C HETATM 1025 NZ M3L B 9 6.284 9.404 2.773 1.00 0.00 N HETATM 1026 C M3L B 9 7.729 2.883 6.456 1.00 0.00 C HETATM 1027 O M3L B 9 8.586 2.194 7.020 1.00 0.00 O HETATM 1028 CM1 M3L B 9 6.498 10.020 4.172 1.00 0.00 C HETATM 1029 CM2 M3L B 9 4.782 9.142 2.551 1.00 0.00 C HETATM 1030 CM3 M3L B 9 6.792 10.384 1.701 1.00 0.00 C HETATM 0 HM33 M3L B 9 7.853 10.577 1.858 1.00 0.00 H new HETATM 0 HM32 M3L B 9 6.645 9.950 0.712 1.00 0.00 H new HETATM 0 HM31 M3L B 9 6.238 11.320 1.772 1.00 0.00 H new HETATM 0 HM23 M3L B 9 4.630 8.713 1.561 1.00 0.00 H new HETATM 0 HM22 M3L B 9 4.418 8.446 3.307 1.00 0.00 H new HETATM 0 HM21 M3L B 9 4.234 10.081 2.628 1.00 0.00 H new HETATM 0 HM13 M3L B 9 6.145 9.325 4.934 1.00 0.00 H new HETATM 0 HM12 M3L B 9 7.559 10.217 4.325 1.00 0.00 H new HETATM 0 HM11 M3L B 9 5.942 10.954 4.247 1.00 0.00 H new HETATM 0 HG3 M3L B 9 8.558 6.102 3.950 1.00 0.00 H new HETATM 0 HG2 M3L B 9 7.538 5.260 2.800 1.00 0.00 H new HETATM 0 HE3 M3L B 9 8.135 8.277 2.822 1.00 0.00 H new HETATM 0 HE2 M3L B 9 6.972 7.678 1.656 1.00 0.00 H new HETATM 0 HD3 M3L B 9 5.602 6.680 3.413 1.00 0.00 H new HETATM 0 HD2 M3L B 9 6.538 7.465 4.670 1.00 0.00 H new HETATM 0 HB3 M3L B 9 6.125 4.372 4.592 1.00 0.00 H new HETATM 0 HB2 M3L B 9 6.928 5.369 5.789 1.00 0.00 H new HETATM 0 HA M3L B 9 9.051 4.117 5.314 1.00 0.00 H new ATOM 1050 N SER B 10 6.462 2.950 6.898 1.00 0.00 N ATOM 1051 CA SER B 10 6.056 2.401 8.191 1.00 0.00 C ATOM 1052 C SER B 10 5.427 1.007 8.007 1.00 0.00 C ATOM 1053 O SER B 10 4.297 0.883 7.514 1.00 0.00 O ATOM 1054 CB SER B 10 5.084 3.387 8.886 1.00 0.00 C ATOM 1055 OG SER B 10 3.974 3.705 8.062 1.00 0.00 O ATOM 0 H SER B 10 5.702 3.382 6.372 1.00 0.00 H new ATOM 0 HA SER B 10 6.930 2.278 8.831 1.00 0.00 H new ATOM 0 HB2 SER B 10 4.730 2.950 9.820 1.00 0.00 H new ATOM 0 HB3 SER B 10 5.618 4.301 9.145 1.00 0.00 H new ATOM 0 HG SER B 10 3.660 2.895 7.609 1.00 0.00 H new ATOM 1061 N THR B 11 6.205 -0.033 8.353 1.00 0.00 N ATOM 1062 CA THR B 11 5.727 -1.426 8.381 1.00 0.00 C ATOM 1063 C THR B 11 4.677 -1.612 9.507 1.00 0.00 C ATOM 1064 O THR B 11 3.782 -2.461 9.405 1.00 0.00 O ATOM 1065 CB THR B 11 6.929 -2.428 8.545 1.00 0.00 C ATOM 1066 OG1 THR B 11 6.465 -3.787 8.546 1.00 0.00 O ATOM 1067 CG2 THR B 11 7.762 -2.176 9.815 1.00 0.00 C ATOM 0 H THR B 11 7.184 0.069 8.621 1.00 0.00 H new ATOM 0 HA THR B 11 5.244 -1.648 7.429 1.00 0.00 H new ATOM 0 HB THR B 11 7.578 -2.255 7.687 1.00 0.00 H new ATOM 0 HG1 THR B 11 7.228 -4.393 8.647 1.00 0.00 H new ATOM 0 HG21 THR B 11 8.574 -2.901 9.867 1.00 0.00 H new ATOM 0 HG22 THR B 11 8.177 -1.168 9.784 1.00 0.00 H new ATOM 0 HG23 THR B 11 7.126 -2.280 10.694 1.00 0.00 H new ATOM 1075 N GLY B 12 4.822 -0.812 10.584 1.00 0.00 N ATOM 1076 CA GLY B 12 3.813 -0.711 11.642 1.00 0.00 C ATOM 1077 C GLY B 12 2.884 0.474 11.381 1.00 0.00 C ATOM 1078 O GLY B 12 3.345 1.623 11.362 1.00 0.00 O ATOM 0 H GLY B 12 5.640 -0.223 10.738 1.00 0.00 H new ATOM 0 HA2 GLY B 12 3.233 -1.633 11.689 1.00 0.00 H new ATOM 0 HA3 GLY B 12 4.302 -0.592 12.609 1.00 0.00 H new ATOM 1082 N GLY B 13 1.582 0.195 11.172 1.00 0.00 N ATOM 1083 CA GLY B 13 0.594 1.214 10.797 1.00 0.00 C ATOM 1084 C GLY B 13 -0.052 1.892 12.007 1.00 0.00 C ATOM 1085 O GLY B 13 -1.276 1.866 12.163 1.00 0.00 O ATOM 0 H GLY B 13 1.191 -0.743 11.259 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.077 1.970 10.178 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.183 0.752 10.188 1.00 0.00 H new ATOM 1089 N LYS B 14 0.785 2.501 12.872 1.00 0.00 N ATOM 1090 CA LYS B 14 0.326 3.271 14.044 1.00 0.00 C ATOM 1091 C LYS B 14 1.328 4.395 14.336 1.00 0.00 C ATOM 1092 O LYS B 14 2.500 4.131 14.640 1.00 0.00 O ATOM 1093 CB LYS B 14 0.123 2.353 15.287 1.00 0.00 C ATOM 1094 CG LYS B 14 -0.313 3.107 16.574 1.00 0.00 C ATOM 1095 CD LYS B 14 -0.855 2.174 17.686 1.00 0.00 C ATOM 1096 CE LYS B 14 -2.150 1.454 17.264 1.00 0.00 C ATOM 1097 NZ LYS B 14 -2.736 0.655 18.364 1.00 0.00 N ATOM 0 H LYS B 14 1.800 2.472 12.776 1.00 0.00 H new ATOM 0 HA LYS B 14 -0.645 3.711 13.819 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.628 1.600 15.049 1.00 0.00 H new ATOM 0 HB3 LYS B 14 1.054 1.823 15.488 1.00 0.00 H new ATOM 0 HG2 LYS B 14 0.538 3.666 16.963 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -1.082 3.835 16.316 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -0.096 1.434 17.938 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -1.043 2.757 18.587 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -2.879 2.191 16.926 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -1.940 0.801 16.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -3.605 0.190 18.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -2.053 -0.067 18.671 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -2.962 1.279 19.164 1.00 0.00 H new ATOM 1111 N ALA B 15 0.857 5.649 14.224 1.00 0.00 N ATOM 1112 CA ALA B 15 1.677 6.851 14.422 1.00 0.00 C ATOM 1113 C ALA B 15 1.146 7.634 15.649 1.00 0.00 C ATOM 1114 O ALA B 15 1.586 7.342 16.783 1.00 0.00 O ATOM 1115 CB ALA B 15 1.674 7.703 13.130 1.00 0.00 C ATOM 1116 OXT ALA B 15 0.259 8.503 15.490 1.00 0.00 O ATOM 0 H ALA B 15 -0.114 5.856 13.991 1.00 0.00 H new ATOM 0 HA ALA B 15 2.713 6.579 14.626 1.00 0.00 H new ATOM 0 HB1 ALA B 15 2.283 8.594 13.280 1.00 0.00 H new ATOM 0 HB2 ALA B 15 2.084 7.118 12.307 1.00 0.00 H new ATOM 0 HB3 ALA B 15 0.652 7.998 12.891 1.00 0.00 H new TER 1122 ALA B 15