USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 355 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -99:sc= 0.065 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 141:sc= 0.0602 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0515) USER MOD Single : A 13 ASN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 14 MET CE :methyl -139:sc= -6.34! (180deg=-10.7!) USER MOD Single : A 16 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 17 GLN : amide:sc= -3.03 K(o=-3,f=-8.9!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -4.32! K(o=-4.3!,f=-1.1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= -1.55! (180deg=-1.55!) USER MOD Single : A 27 THR OG1 : rot 84:sc= 0.495 USER MOD Single : A 28 MET CE :methyl 150:sc= -5.95! (180deg=-10.4!) USER MOD Single : A 29 ASN : amide:sc= -2.04 K(o=-2,f=-4.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00609 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 36 TYR OH : rot 24:sc= 0.137 USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= -0.0264 (180deg=-0.117) USER MOD Single : A 40 ASN : amide:sc= -0.545 K(o=-0.54,f=-2.3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.374 51.888 23.668 1.00 0.00 N ATOM 2 CA GLY A 1 -13.836 51.607 23.589 1.00 0.00 C ATOM 3 C GLY A 1 -14.618 52.851 24.014 1.00 0.00 C ATOM 4 O GLY A 1 -14.124 53.682 24.752 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.013 52.119 22.720 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.209 52.692 24.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.879 51.049 24.032 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.108 51.323 22.572 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.091 50.766 24.234 1.00 0.00 H new ATOM 10 N ARG A 2 -15.836 52.982 23.552 1.00 0.00 N ATOM 11 CA ARG A 2 -16.660 54.169 23.923 1.00 0.00 C ATOM 12 C ARG A 2 -16.949 54.138 25.426 1.00 0.00 C ATOM 13 O ARG A 2 -16.897 53.097 26.054 1.00 0.00 O ATOM 14 CB ARG A 2 -17.979 54.137 23.148 1.00 0.00 C ATOM 15 CG ARG A 2 -17.699 54.337 21.657 1.00 0.00 C ATOM 16 CD ARG A 2 -18.854 55.109 21.018 1.00 0.00 C ATOM 17 NE ARG A 2 -18.599 55.266 19.553 1.00 0.00 N ATOM 18 CZ ARG A 2 -19.555 55.638 18.724 1.00 0.00 C ATOM 19 NH1 ARG A 2 -20.773 55.888 19.146 1.00 0.00 N ATOM 20 NH2 ARG A 2 -19.284 55.760 17.453 1.00 0.00 N ATOM 0 H ARG A 2 -16.295 52.315 22.932 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.117 55.081 23.676 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -18.485 53.185 23.310 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -18.646 54.919 23.512 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -16.765 54.882 21.522 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -17.578 53.371 21.166 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -19.793 54.579 21.180 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -18.955 56.088 21.487 1.00 0.00 H new ATOM 0 HE ARG A 2 -17.665 55.081 19.187 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -20.998 55.796 20.137 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -21.494 56.174 18.483 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -18.342 55.568 17.112 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -20.014 56.047 16.801 1.00 0.00 H new ATOM 34 N LYS A 3 -17.250 55.273 26.003 1.00 0.00 N ATOM 35 CA LYS A 3 -17.542 55.321 27.466 1.00 0.00 C ATOM 36 C LYS A 3 -19.053 55.411 27.684 1.00 0.00 C ATOM 37 O LYS A 3 -19.611 56.489 27.773 1.00 0.00 O ATOM 38 CB LYS A 3 -16.864 56.547 28.081 1.00 0.00 C ATOM 39 CG LYS A 3 -15.488 56.154 28.622 1.00 0.00 C ATOM 40 CD LYS A 3 -14.574 55.766 27.458 1.00 0.00 C ATOM 41 CE LYS A 3 -13.112 55.923 27.882 1.00 0.00 C ATOM 42 NZ LYS A 3 -12.287 54.876 27.216 1.00 0.00 N ATOM 0 H LYS A 3 -17.306 56.171 25.522 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.161 54.417 27.941 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.761 57.332 27.332 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.480 56.951 28.884 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.053 56.984 29.178 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.583 55.320 29.317 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.768 54.736 27.157 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.782 56.395 26.593 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.748 56.914 27.612 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.025 55.836 28.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.374 55.284 26.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.122 54.091 27.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.788 54.522 26.376 1.00 0.00 H new ATOM 56 N ARG A 4 -19.717 54.286 27.773 1.00 0.00 N ATOM 57 CA ARG A 4 -21.193 54.297 27.989 1.00 0.00 C ATOM 58 C ARG A 4 -21.500 54.897 29.362 1.00 0.00 C ATOM 59 O ARG A 4 -22.493 55.577 29.544 1.00 0.00 O ATOM 60 CB ARG A 4 -21.729 52.865 27.926 1.00 0.00 C ATOM 61 CG ARG A 4 -22.067 52.509 26.477 1.00 0.00 C ATOM 62 CD ARG A 4 -23.270 51.564 26.451 1.00 0.00 C ATOM 63 NE ARG A 4 -24.049 51.785 25.193 1.00 0.00 N ATOM 64 CZ ARG A 4 -24.961 50.922 24.788 1.00 0.00 C ATOM 65 NH1 ARG A 4 -25.226 49.830 25.469 1.00 0.00 N ATOM 66 NH2 ARG A 4 -25.615 51.158 23.684 1.00 0.00 N ATOM 0 H ARG A 4 -19.298 53.359 27.705 1.00 0.00 H new ATOM 0 HA ARG A 4 -21.670 54.897 27.214 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -20.987 52.170 28.319 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -22.617 52.770 28.551 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -22.290 53.414 25.911 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -21.209 52.037 25.998 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -22.934 50.529 26.507 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -23.904 51.741 27.320 1.00 0.00 H new ATOM 0 HE ARG A 4 -23.871 52.621 24.636 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -24.722 49.633 26.333 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -25.936 49.179 25.133 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -25.419 52.002 23.145 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -26.323 50.499 23.360 1.00 0.00 H new ATOM 80 N LYS A 5 -20.651 54.650 30.327 1.00 0.00 N ATOM 81 CA LYS A 5 -20.880 55.202 31.694 1.00 0.00 C ATOM 82 C LYS A 5 -20.533 56.693 31.703 1.00 0.00 C ATOM 83 O LYS A 5 -20.322 57.293 30.666 1.00 0.00 O ATOM 84 CB LYS A 5 -19.989 54.458 32.691 1.00 0.00 C ATOM 85 CG LYS A 5 -20.378 52.979 32.718 1.00 0.00 C ATOM 86 CD LYS A 5 -19.699 52.292 33.905 1.00 0.00 C ATOM 87 CE LYS A 5 -19.876 50.777 33.787 1.00 0.00 C ATOM 88 NZ LYS A 5 -21.304 50.424 34.027 1.00 0.00 N ATOM 0 H LYS A 5 -19.806 54.087 30.225 1.00 0.00 H new ATOM 0 HA LYS A 5 -21.925 55.074 31.975 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.942 54.564 32.409 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -20.097 54.892 33.685 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -21.460 52.879 32.797 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.080 52.497 31.787 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.639 52.544 33.927 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -20.131 52.648 34.840 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.568 50.440 32.797 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.238 50.268 34.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -21.404 49.390 34.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -21.616 50.835 34.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -21.889 50.800 33.254 1.00 0.00 H new ATOM 102 N ILE A 6 -20.476 57.295 32.866 1.00 0.00 N ATOM 103 CA ILE A 6 -20.146 58.751 32.954 1.00 0.00 C ATOM 104 C ILE A 6 -21.207 59.563 32.206 1.00 0.00 C ATOM 105 O ILE A 6 -21.241 59.584 30.990 1.00 0.00 O ATOM 106 CB ILE A 6 -18.769 59.012 32.330 1.00 0.00 C ATOM 107 CG1 ILE A 6 -17.731 58.051 32.933 1.00 0.00 C ATOM 108 CG2 ILE A 6 -18.350 60.461 32.597 1.00 0.00 C ATOM 109 CD1 ILE A 6 -17.631 58.251 34.452 1.00 0.00 C ATOM 0 H ILE A 6 -20.645 56.838 33.762 1.00 0.00 H new ATOM 0 HA ILE A 6 -20.128 59.051 34.002 1.00 0.00 H new ATOM 0 HB ILE A 6 -18.825 58.845 31.254 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -18.010 57.020 32.714 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -16.758 58.222 32.473 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -17.372 60.645 32.153 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -19.081 61.138 32.156 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -18.298 60.633 33.672 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -16.892 57.563 34.862 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -17.329 59.277 34.665 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -18.601 58.056 34.909 1.00 0.00 H new ATOM 121 N ASP A 7 -22.072 60.228 32.928 1.00 0.00 N ATOM 122 CA ASP A 7 -23.138 61.040 32.271 1.00 0.00 C ATOM 123 C ASP A 7 -22.544 62.363 31.780 1.00 0.00 C ATOM 124 O ASP A 7 -21.345 62.564 31.809 1.00 0.00 O ATOM 125 CB ASP A 7 -24.256 61.323 33.278 1.00 0.00 C ATOM 126 CG ASP A 7 -25.607 61.313 32.560 1.00 0.00 C ATOM 127 OD1 ASP A 7 -25.992 60.260 32.079 1.00 0.00 O ATOM 128 OD2 ASP A 7 -26.233 62.358 32.503 1.00 0.00 O ATOM 0 H ASP A 7 -22.085 60.243 33.948 1.00 0.00 H new ATOM 0 HA ASP A 7 -23.544 60.489 31.423 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -24.247 60.572 34.068 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -24.093 62.289 33.755 1.00 0.00 H new ATOM 133 N ARG A 8 -23.380 63.264 31.329 1.00 0.00 N ATOM 134 CA ARG A 8 -22.884 64.583 30.830 1.00 0.00 C ATOM 135 C ARG A 8 -21.921 64.377 29.652 1.00 0.00 C ATOM 136 O ARG A 8 -21.143 65.253 29.323 1.00 0.00 O ATOM 137 CB ARG A 8 -22.154 65.317 31.959 1.00 0.00 C ATOM 138 CG ARG A 8 -23.061 65.397 33.188 1.00 0.00 C ATOM 139 CD ARG A 8 -24.195 66.390 32.922 1.00 0.00 C ATOM 140 NE ARG A 8 -25.022 66.545 34.158 1.00 0.00 N ATOM 141 CZ ARG A 8 -25.877 67.540 34.293 1.00 0.00 C ATOM 142 NH1 ARG A 8 -26.042 68.438 33.349 1.00 0.00 N ATOM 143 NH2 ARG A 8 -26.578 67.633 35.390 1.00 0.00 N ATOM 0 H ARG A 8 -24.392 63.142 31.285 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.735 65.176 30.495 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -21.231 64.794 32.209 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -21.875 66.319 31.634 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -23.471 64.413 33.415 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -22.485 65.711 34.058 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.785 67.355 32.622 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.816 66.038 32.098 1.00 0.00 H new ATOM 0 HE ARG A 8 -24.923 65.866 34.913 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -25.502 68.376 32.486 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -26.710 69.198 33.479 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -26.461 66.941 36.130 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.243 68.398 35.507 1.00 0.00 H new ATOM 157 N ASP A 9 -21.966 63.230 29.014 1.00 0.00 N ATOM 158 CA ASP A 9 -21.058 62.972 27.864 1.00 0.00 C ATOM 159 C ASP A 9 -21.467 63.851 26.676 1.00 0.00 C ATOM 160 O ASP A 9 -20.638 64.296 25.904 1.00 0.00 O ATOM 161 CB ASP A 9 -21.157 61.490 27.486 1.00 0.00 C ATOM 162 CG ASP A 9 -22.590 61.147 27.064 1.00 0.00 C ATOM 163 OD1 ASP A 9 -22.907 61.342 25.902 1.00 0.00 O ATOM 164 OD2 ASP A 9 -23.344 60.695 27.910 1.00 0.00 O ATOM 0 H ASP A 9 -22.597 62.463 29.246 1.00 0.00 H new ATOM 0 HA ASP A 9 -20.030 63.213 28.135 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -20.467 61.268 26.672 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -20.861 60.870 28.333 1.00 0.00 H new ATOM 169 N ALA A 10 -22.745 64.101 26.529 1.00 0.00 N ATOM 170 CA ALA A 10 -23.227 64.946 25.396 1.00 0.00 C ATOM 171 C ALA A 10 -22.607 66.342 25.491 1.00 0.00 C ATOM 172 O ALA A 10 -22.333 66.975 24.488 1.00 0.00 O ATOM 173 CB ALA A 10 -24.751 65.062 25.461 1.00 0.00 C ATOM 0 H ALA A 10 -23.477 63.754 27.149 1.00 0.00 H new ATOM 0 HA ALA A 10 -22.934 64.485 24.453 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -25.105 65.679 24.635 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -25.195 64.069 25.389 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.041 65.521 26.406 1.00 0.00 H new ATOM 179 N VAL A 11 -22.377 66.821 26.688 1.00 0.00 N ATOM 180 CA VAL A 11 -21.768 68.176 26.848 1.00 0.00 C ATOM 181 C VAL A 11 -20.268 68.077 26.558 1.00 0.00 C ATOM 182 O VAL A 11 -19.655 68.997 26.039 1.00 0.00 O ATOM 183 CB VAL A 11 -21.995 68.701 28.273 1.00 0.00 C ATOM 184 CG1 VAL A 11 -21.644 70.194 28.326 1.00 0.00 C ATOM 185 CG2 VAL A 11 -23.467 68.519 28.668 1.00 0.00 C ATOM 0 H VAL A 11 -22.584 66.333 27.559 1.00 0.00 H new ATOM 0 HA VAL A 11 -22.236 68.871 26.151 1.00 0.00 H new ATOM 0 HB VAL A 11 -21.362 68.144 28.964 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -21.804 70.570 29.337 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.599 70.332 28.049 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -22.279 70.742 27.630 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -23.621 68.893 29.680 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -24.101 69.073 27.976 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -23.726 67.461 28.629 1.00 0.00 H new ATOM 195 N LEU A 12 -19.677 66.956 26.873 1.00 0.00 N ATOM 196 CA LEU A 12 -18.223 66.771 26.605 1.00 0.00 C ATOM 197 C LEU A 12 -17.970 66.839 25.093 1.00 0.00 C ATOM 198 O LEU A 12 -16.875 67.119 24.658 1.00 0.00 O ATOM 199 CB LEU A 12 -17.776 65.407 27.136 1.00 0.00 C ATOM 200 CG LEU A 12 -17.215 65.570 28.550 1.00 0.00 C ATOM 201 CD1 LEU A 12 -18.322 65.305 29.572 1.00 0.00 C ATOM 202 CD2 LEU A 12 -16.075 64.572 28.765 1.00 0.00 C ATOM 0 H LEU A 12 -20.141 66.158 27.306 1.00 0.00 H new ATOM 0 HA LEU A 12 -17.658 67.558 27.104 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -18.618 64.714 27.145 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.018 64.980 26.479 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.839 66.585 28.676 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.922 65.421 30.579 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.135 66.015 29.420 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -18.698 64.290 29.446 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.675 64.688 29.772 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -16.451 63.557 28.639 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.285 64.759 28.037 1.00 0.00 H new ATOM 214 N ASN A 13 -18.974 66.581 24.291 1.00 0.00 N ATOM 215 CA ASN A 13 -18.786 66.629 22.810 1.00 0.00 C ATOM 216 C ASN A 13 -18.919 68.073 22.308 1.00 0.00 C ATOM 217 O ASN A 13 -18.126 68.537 21.510 1.00 0.00 O ATOM 218 CB ASN A 13 -19.847 65.759 22.138 1.00 0.00 C ATOM 219 CG ASN A 13 -19.408 64.294 22.175 1.00 0.00 C ATOM 220 OD1 ASN A 13 -19.305 63.652 21.149 1.00 0.00 O ATOM 221 ND2 ASN A 13 -19.143 63.734 23.324 1.00 0.00 N ATOM 0 H ASN A 13 -19.916 66.339 24.600 1.00 0.00 H new ATOM 0 HA ASN A 13 -17.792 66.257 22.564 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.803 65.876 22.648 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -19.994 66.079 21.107 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.850 62.758 23.360 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.229 64.273 24.186 1.00 0.00 H new ATOM 228 N MET A 14 -19.925 68.778 22.762 1.00 0.00 N ATOM 229 CA MET A 14 -20.140 70.181 22.314 1.00 0.00 C ATOM 230 C MET A 14 -19.069 71.131 22.895 1.00 0.00 C ATOM 231 O MET A 14 -19.075 72.300 22.606 1.00 0.00 O ATOM 232 CB MET A 14 -21.537 70.618 22.775 1.00 0.00 C ATOM 233 CG MET A 14 -21.582 70.660 24.305 1.00 0.00 C ATOM 234 SD MET A 14 -23.273 70.945 24.879 1.00 0.00 S ATOM 235 CE MET A 14 -23.955 69.326 24.440 1.00 0.00 C ATOM 0 H MET A 14 -20.613 68.434 23.432 1.00 0.00 H new ATOM 0 HA MET A 14 -20.059 70.229 21.228 1.00 0.00 H new ATOM 0 HB2 MET A 14 -21.775 71.600 22.367 1.00 0.00 H new ATOM 0 HB3 MET A 14 -22.289 69.925 22.398 1.00 0.00 H new ATOM 0 HG2 MET A 14 -21.207 69.721 24.712 1.00 0.00 H new ATOM 0 HG3 MET A 14 -20.928 71.451 24.673 1.00 0.00 H new ATOM 0 HE1 MET A 14 -24.951 69.454 24.016 1.00 0.00 H new ATOM 0 HE2 MET A 14 -23.308 68.845 23.707 1.00 0.00 H new ATOM 0 HE3 MET A 14 -24.017 68.703 25.332 1.00 0.00 H new ATOM 245 N TRP A 15 -18.181 70.659 23.734 1.00 0.00 N ATOM 246 CA TRP A 15 -17.156 71.570 24.333 1.00 0.00 C ATOM 247 C TRP A 15 -15.749 71.115 23.990 1.00 0.00 C ATOM 248 O TRP A 15 -14.862 71.908 23.736 1.00 0.00 O ATOM 249 CB TRP A 15 -17.278 71.487 25.844 1.00 0.00 C ATOM 250 CG TRP A 15 -18.251 72.470 26.313 1.00 0.00 C ATOM 251 CD1 TRP A 15 -19.407 72.158 26.873 1.00 0.00 C ATOM 252 CD2 TRP A 15 -18.163 73.901 26.278 1.00 0.00 C ATOM 253 NE1 TRP A 15 -20.071 73.328 27.190 1.00 0.00 N ATOM 254 CE2 TRP A 15 -19.331 74.443 26.821 1.00 0.00 C ATOM 255 CE3 TRP A 15 -17.185 74.763 25.819 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -19.512 75.828 26.893 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -17.354 76.141 25.896 1.00 0.00 C ATOM 258 CH2 TRP A 15 -18.521 76.672 26.431 1.00 0.00 C ATOM 0 H TRP A 15 -18.121 69.685 24.030 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.325 72.576 23.948 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -17.588 70.485 26.139 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -16.309 71.670 26.308 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -19.771 71.157 27.053 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -20.987 73.367 27.637 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -16.277 74.361 25.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -20.422 76.236 27.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -16.576 76.800 25.539 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.653 77.743 26.486 1.00 0.00 H new ATOM 269 N GLN A 16 -15.537 69.843 24.068 1.00 0.00 N ATOM 270 CA GLN A 16 -14.188 69.282 23.847 1.00 0.00 C ATOM 271 C GLN A 16 -13.855 69.197 22.349 1.00 0.00 C ATOM 272 O GLN A 16 -12.780 68.759 21.980 1.00 0.00 O ATOM 273 CB GLN A 16 -14.155 67.900 24.505 1.00 0.00 C ATOM 274 CG GLN A 16 -14.661 68.000 25.968 1.00 0.00 C ATOM 275 CD GLN A 16 -13.540 68.542 26.856 1.00 0.00 C ATOM 276 OE1 GLN A 16 -13.710 69.538 27.530 1.00 0.00 O ATOM 277 NE2 GLN A 16 -12.391 67.923 26.886 1.00 0.00 N ATOM 0 H GLN A 16 -16.257 69.152 24.280 1.00 0.00 H new ATOM 0 HA GLN A 16 -13.432 69.930 24.290 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.778 67.205 23.942 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.140 67.504 24.488 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.530 68.655 26.020 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.979 67.020 26.322 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.247 67.086 26.320 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.637 68.276 27.475 1.00 0.00 H new ATOM 286 N GLN A 17 -14.749 69.621 21.483 1.00 0.00 N ATOM 287 CA GLN A 17 -14.458 69.574 20.022 1.00 0.00 C ATOM 288 C GLN A 17 -14.118 70.982 19.507 1.00 0.00 C ATOM 289 O GLN A 17 -14.253 71.263 18.331 1.00 0.00 O ATOM 290 CB GLN A 17 -15.691 69.051 19.295 1.00 0.00 C ATOM 291 CG GLN A 17 -16.035 67.662 19.828 1.00 0.00 C ATOM 292 CD GLN A 17 -17.350 67.186 19.210 1.00 0.00 C ATOM 293 OE1 GLN A 17 -18.178 66.609 19.885 1.00 0.00 O ATOM 294 NE2 GLN A 17 -17.579 67.402 17.943 1.00 0.00 N ATOM 0 H GLN A 17 -15.665 69.996 21.730 1.00 0.00 H new ATOM 0 HA GLN A 17 -13.607 68.918 19.839 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -16.531 69.729 19.444 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -15.504 69.006 18.222 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -15.235 66.961 19.589 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -16.121 67.689 20.914 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -16.884 67.887 17.375 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -18.453 67.086 17.522 1.00 0.00 H new ATOM 303 N GLY A 18 -13.684 71.870 20.375 1.00 0.00 N ATOM 304 CA GLY A 18 -13.343 73.257 19.930 1.00 0.00 C ATOM 305 C GLY A 18 -14.636 74.043 19.715 1.00 0.00 C ATOM 306 O GLY A 18 -14.956 74.442 18.612 1.00 0.00 O ATOM 0 H GLY A 18 -13.552 71.691 21.371 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.723 73.750 20.678 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.764 73.225 19.007 1.00 0.00 H new ATOM 310 N LEU A 19 -15.389 74.244 20.764 1.00 0.00 N ATOM 311 CA LEU A 19 -16.686 74.977 20.643 1.00 0.00 C ATOM 312 C LEU A 19 -16.747 76.122 21.649 1.00 0.00 C ATOM 313 O LEU A 19 -16.025 76.150 22.628 1.00 0.00 O ATOM 314 CB LEU A 19 -17.822 73.983 20.909 1.00 0.00 C ATOM 315 CG LEU A 19 -18.468 73.452 19.615 1.00 0.00 C ATOM 316 CD1 LEU A 19 -17.434 73.267 18.497 1.00 0.00 C ATOM 317 CD2 LEU A 19 -19.126 72.099 19.905 1.00 0.00 C ATOM 0 H LEU A 19 -15.160 73.930 21.707 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.781 75.402 19.644 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -17.436 73.144 21.487 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.586 74.466 21.519 1.00 0.00 H new ATOM 0 HG LEU A 19 -19.205 74.183 19.282 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.929 72.891 17.602 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.962 74.224 18.276 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.675 72.554 18.818 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -19.586 71.715 18.994 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.371 71.395 20.255 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -19.890 72.223 20.673 1.00 0.00 H new ATOM 329 N GLY A 20 -17.612 77.069 21.401 1.00 0.00 N ATOM 330 CA GLY A 20 -17.743 78.234 22.329 1.00 0.00 C ATOM 331 C GLY A 20 -19.082 78.961 22.116 1.00 0.00 C ATOM 332 O GLY A 20 -19.408 79.361 21.022 1.00 0.00 O ATOM 0 H GLY A 20 -18.236 77.088 20.594 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -17.672 77.891 23.361 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.918 78.928 22.166 1.00 0.00 H new ATOM 336 N ALA A 21 -19.847 79.114 23.183 1.00 0.00 N ATOM 337 CA ALA A 21 -21.184 79.813 23.165 1.00 0.00 C ATOM 338 C ALA A 21 -21.944 79.704 21.824 1.00 0.00 C ATOM 339 O ALA A 21 -22.818 78.876 21.670 1.00 0.00 O ATOM 340 CB ALA A 21 -20.968 81.290 23.513 1.00 0.00 C ATOM 0 H ALA A 21 -19.585 78.766 24.105 1.00 0.00 H new ATOM 0 HA ALA A 21 -21.811 79.310 23.901 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.926 81.810 23.504 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.522 81.369 24.504 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -20.303 81.743 22.778 1.00 0.00 H new ATOM 346 N SER A 22 -21.650 80.567 20.881 1.00 0.00 N ATOM 347 CA SER A 22 -22.381 80.559 19.571 1.00 0.00 C ATOM 348 C SER A 22 -22.133 79.256 18.808 1.00 0.00 C ATOM 349 O SER A 22 -23.063 78.598 18.360 1.00 0.00 O ATOM 350 CB SER A 22 -21.903 81.737 18.722 1.00 0.00 C ATOM 351 OG SER A 22 -22.962 82.167 17.877 1.00 0.00 O ATOM 0 H SER A 22 -20.929 81.283 20.962 1.00 0.00 H new ATOM 0 HA SER A 22 -23.449 80.643 19.772 1.00 0.00 H new ATOM 0 HB2 SER A 22 -21.580 82.556 19.365 1.00 0.00 H new ATOM 0 HB3 SER A 22 -21.041 81.443 18.123 1.00 0.00 H new ATOM 0 HG SER A 22 -22.659 82.923 17.332 1.00 0.00 H new ATOM 357 N HIS A 23 -20.892 78.890 18.631 1.00 0.00 N ATOM 358 CA HIS A 23 -20.581 77.643 17.883 1.00 0.00 C ATOM 359 C HIS A 23 -21.185 76.436 18.610 1.00 0.00 C ATOM 360 O HIS A 23 -21.580 75.461 17.992 1.00 0.00 O ATOM 361 CB HIS A 23 -19.067 77.478 17.760 1.00 0.00 C ATOM 362 CG HIS A 23 -18.773 76.447 16.712 1.00 0.00 C ATOM 363 ND1 HIS A 23 -18.233 76.773 15.478 1.00 0.00 N ATOM 364 CD2 HIS A 23 -18.954 75.091 16.698 1.00 0.00 C ATOM 365 CE1 HIS A 23 -18.109 75.630 14.777 1.00 0.00 C ATOM 366 NE2 HIS A 23 -18.535 74.574 15.475 1.00 0.00 N ATOM 0 H HIS A 23 -20.080 79.404 18.974 1.00 0.00 H new ATOM 0 HA HIS A 23 -21.013 77.706 16.884 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -18.605 78.429 17.493 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -18.642 77.174 18.717 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -19.360 74.510 17.512 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -17.714 75.574 13.774 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -18.550 73.599 15.176 1.00 0.00 H new ATOM 374 N ILE A 24 -21.286 76.505 19.914 1.00 0.00 N ATOM 375 CA ILE A 24 -21.903 75.347 20.677 1.00 0.00 C ATOM 376 C ILE A 24 -23.426 75.442 20.496 1.00 0.00 C ATOM 377 O ILE A 24 -24.129 74.472 20.613 1.00 0.00 O ATOM 378 CB ILE A 24 -21.601 75.374 22.214 1.00 0.00 C ATOM 379 CG1 ILE A 24 -20.477 76.350 22.516 1.00 0.00 C ATOM 380 CG2 ILE A 24 -21.174 73.968 22.691 1.00 0.00 C ATOM 381 CD1 ILE A 24 -20.140 76.366 24.006 1.00 0.00 C ATOM 0 H ILE A 24 -20.978 77.292 20.485 1.00 0.00 H new ATOM 0 HA ILE A 24 -21.474 74.426 20.282 1.00 0.00 H new ATOM 0 HB ILE A 24 -22.506 75.687 22.734 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -19.591 76.076 21.944 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -20.766 77.351 22.196 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -20.966 73.994 23.761 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -21.977 73.258 22.495 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -20.277 73.658 22.154 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -19.332 77.074 24.189 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -21.020 76.665 24.575 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -19.827 75.370 24.319 1.00 0.00 H new ATOM 393 N SER A 25 -23.939 76.619 20.220 1.00 0.00 N ATOM 394 CA SER A 25 -25.409 76.793 20.050 1.00 0.00 C ATOM 395 C SER A 25 -25.922 75.896 18.930 1.00 0.00 C ATOM 396 O SER A 25 -26.912 75.205 19.090 1.00 0.00 O ATOM 397 CB SER A 25 -25.710 78.252 19.709 1.00 0.00 C ATOM 398 OG SER A 25 -27.075 78.530 19.995 1.00 0.00 O ATOM 0 H SER A 25 -23.392 77.472 20.105 1.00 0.00 H new ATOM 0 HA SER A 25 -25.908 76.518 20.979 1.00 0.00 H new ATOM 0 HB2 SER A 25 -25.064 78.913 20.286 1.00 0.00 H new ATOM 0 HB3 SER A 25 -25.501 78.442 18.656 1.00 0.00 H new ATOM 0 HG SER A 25 -27.271 79.466 19.779 1.00 0.00 H new ATOM 404 N LYS A 26 -25.271 75.907 17.793 1.00 0.00 N ATOM 405 CA LYS A 26 -25.753 75.055 16.667 1.00 0.00 C ATOM 406 C LYS A 26 -25.431 73.576 16.934 1.00 0.00 C ATOM 407 O LYS A 26 -26.207 72.701 16.597 1.00 0.00 O ATOM 408 CB LYS A 26 -25.107 75.527 15.364 1.00 0.00 C ATOM 409 CG LYS A 26 -23.599 75.272 15.381 1.00 0.00 C ATOM 410 CD LYS A 26 -22.946 76.085 14.262 1.00 0.00 C ATOM 411 CE LYS A 26 -21.570 76.579 14.709 1.00 0.00 C ATOM 412 NZ LYS A 26 -21.561 78.069 14.699 1.00 0.00 N ATOM 0 H LYS A 26 -24.438 76.462 17.599 1.00 0.00 H new ATOM 0 HA LYS A 26 -26.836 75.149 16.581 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -25.559 75.006 14.520 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.299 76.591 15.222 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.180 75.555 16.346 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.395 74.210 15.244 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.848 75.472 13.366 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -23.579 76.933 14.001 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -21.344 76.208 15.709 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -20.797 76.194 14.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -20.601 78.412 14.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -21.859 78.412 13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -22.217 78.425 15.423 1.00 0.00 H new ATOM 426 N THR A 27 -24.299 73.291 17.531 1.00 0.00 N ATOM 427 CA THR A 27 -23.938 71.867 17.813 1.00 0.00 C ATOM 428 C THR A 27 -24.972 71.248 18.765 1.00 0.00 C ATOM 429 O THR A 27 -25.750 70.396 18.382 1.00 0.00 O ATOM 430 CB THR A 27 -22.547 71.813 18.452 1.00 0.00 C ATOM 431 OG1 THR A 27 -21.619 72.491 17.617 1.00 0.00 O ATOM 432 CG2 THR A 27 -22.115 70.356 18.617 1.00 0.00 C ATOM 0 H THR A 27 -23.612 73.981 17.834 1.00 0.00 H new ATOM 0 HA THR A 27 -23.931 71.303 16.881 1.00 0.00 H new ATOM 0 HB THR A 27 -22.577 72.293 19.430 1.00 0.00 H new ATOM 0 HG1 THR A 27 -21.652 73.452 17.804 1.00 0.00 H new ATOM 0 HG21 THR A 27 -21.125 70.319 19.072 1.00 0.00 H new ATOM 0 HG22 THR A 27 -22.828 69.835 19.257 1.00 0.00 H new ATOM 0 HG23 THR A 27 -22.084 69.873 17.640 1.00 0.00 H new ATOM 440 N MET A 28 -24.983 71.678 20.000 1.00 0.00 N ATOM 441 CA MET A 28 -25.954 71.140 20.993 1.00 0.00 C ATOM 442 C MET A 28 -27.312 71.841 20.773 1.00 0.00 C ATOM 443 O MET A 28 -27.757 71.941 19.644 1.00 0.00 O ATOM 444 CB MET A 28 -25.391 71.388 22.402 1.00 0.00 C ATOM 445 CG MET A 28 -25.061 72.873 22.551 1.00 0.00 C ATOM 446 SD MET A 28 -25.379 73.444 24.228 1.00 0.00 S ATOM 447 CE MET A 28 -25.083 75.191 23.871 1.00 0.00 C ATOM 0 H MET A 28 -24.350 72.390 20.366 1.00 0.00 H new ATOM 0 HA MET A 28 -26.106 70.067 20.875 1.00 0.00 H new ATOM 0 HB2 MET A 28 -26.118 71.086 23.156 1.00 0.00 H new ATOM 0 HB3 MET A 28 -24.497 70.786 22.562 1.00 0.00 H new ATOM 0 HG2 MET A 28 -24.014 73.043 22.298 1.00 0.00 H new ATOM 0 HG3 MET A 28 -25.657 73.453 21.847 1.00 0.00 H new ATOM 0 HE1 MET A 28 -25.692 75.806 24.533 1.00 0.00 H new ATOM 0 HE2 MET A 28 -24.029 75.421 24.029 1.00 0.00 H new ATOM 0 HE3 MET A 28 -25.349 75.401 22.835 1.00 0.00 H new ATOM 457 N ASN A 29 -28.002 72.298 21.808 1.00 0.00 N ATOM 458 CA ASN A 29 -29.331 72.936 21.568 1.00 0.00 C ATOM 459 C ASN A 29 -29.765 73.884 22.712 1.00 0.00 C ATOM 460 O ASN A 29 -30.912 73.861 23.124 1.00 0.00 O ATOM 461 CB ASN A 29 -30.336 71.806 21.447 1.00 0.00 C ATOM 462 CG ASN A 29 -30.420 71.342 19.992 1.00 0.00 C ATOM 463 OD1 ASN A 29 -30.179 72.111 19.082 1.00 0.00 O ATOM 464 ND2 ASN A 29 -30.754 70.108 19.731 1.00 0.00 N ATOM 0 H ASN A 29 -27.702 72.254 22.782 1.00 0.00 H new ATOM 0 HA ASN A 29 -29.273 73.549 20.669 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -30.041 70.975 22.087 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -31.316 72.140 21.789 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -30.813 69.789 18.764 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -30.956 69.462 20.494 1.00 0.00 H new ATOM 471 N ILE A 30 -28.895 74.740 23.209 1.00 0.00 N ATOM 472 CA ILE A 30 -29.334 75.688 24.296 1.00 0.00 C ATOM 473 C ILE A 30 -28.472 76.958 24.298 1.00 0.00 C ATOM 474 O ILE A 30 -27.438 77.027 23.662 1.00 0.00 O ATOM 475 CB ILE A 30 -29.267 75.013 25.674 1.00 0.00 C ATOM 476 CG1 ILE A 30 -27.933 74.293 25.844 1.00 0.00 C ATOM 477 CG2 ILE A 30 -30.406 74.002 25.806 1.00 0.00 C ATOM 478 CD1 ILE A 30 -27.805 73.788 27.283 1.00 0.00 C ATOM 0 H ILE A 30 -27.921 74.824 22.918 1.00 0.00 H new ATOM 0 HA ILE A 30 -30.368 75.966 24.091 1.00 0.00 H new ATOM 0 HB ILE A 30 -29.362 75.778 26.445 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -27.867 73.458 25.147 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -27.110 74.969 25.610 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -30.357 73.524 26.784 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -31.362 74.515 25.700 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -30.313 73.245 25.027 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -26.852 73.273 27.405 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -27.852 74.633 27.970 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -28.620 73.098 27.500 1.00 0.00 H new ATOM 490 N ALA A 31 -28.915 77.971 25.006 1.00 0.00 N ATOM 491 CA ALA A 31 -28.164 79.265 25.065 1.00 0.00 C ATOM 492 C ALA A 31 -26.738 79.032 25.572 1.00 0.00 C ATOM 493 O ALA A 31 -26.438 78.001 26.138 1.00 0.00 O ATOM 494 CB ALA A 31 -28.891 80.223 26.010 1.00 0.00 C ATOM 0 H ALA A 31 -29.776 77.955 25.552 1.00 0.00 H new ATOM 0 HA ALA A 31 -28.114 79.694 24.064 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -28.349 81.168 26.058 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -29.901 80.402 25.641 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -28.942 79.783 27.006 1.00 0.00 H new ATOM 500 N ARG A 32 -25.857 79.981 25.351 1.00 0.00 N ATOM 501 CA ARG A 32 -24.441 79.824 25.788 1.00 0.00 C ATOM 502 C ARG A 32 -24.302 79.943 27.316 1.00 0.00 C ATOM 503 O ARG A 32 -23.465 79.288 27.912 1.00 0.00 O ATOM 504 CB ARG A 32 -23.586 80.888 25.091 1.00 0.00 C ATOM 505 CG ARG A 32 -24.042 82.300 25.480 1.00 0.00 C ATOM 506 CD ARG A 32 -22.886 83.284 25.273 1.00 0.00 C ATOM 507 NE ARG A 32 -22.853 84.277 26.403 1.00 0.00 N ATOM 508 CZ ARG A 32 -23.904 84.992 26.744 1.00 0.00 C ATOM 509 NH1 ARG A 32 -24.977 85.035 25.991 1.00 0.00 N ATOM 510 NH2 ARG A 32 -23.854 85.724 27.823 1.00 0.00 N ATOM 0 H ARG A 32 -26.065 80.863 24.882 1.00 0.00 H new ATOM 0 HA ARG A 32 -24.098 78.828 25.510 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -22.539 80.753 25.361 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -23.655 80.764 24.010 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -24.899 82.597 24.875 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -24.365 82.316 26.521 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -21.941 82.744 25.224 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -23.005 83.804 24.323 1.00 0.00 H new ATOM 0 HE ARG A 32 -21.985 84.400 26.924 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -25.010 84.507 25.119 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -25.779 85.597 26.277 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -23.007 85.738 28.391 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -24.662 86.283 28.098 1.00 0.00 H new ATOM 524 N SER A 33 -25.100 80.762 27.956 1.00 0.00 N ATOM 525 CA SER A 33 -24.991 80.905 29.441 1.00 0.00 C ATOM 526 C SER A 33 -25.597 79.667 30.100 1.00 0.00 C ATOM 527 O SER A 33 -25.120 79.181 31.112 1.00 0.00 O ATOM 528 CB SER A 33 -25.752 82.152 29.894 1.00 0.00 C ATOM 529 OG SER A 33 -27.037 82.164 29.287 1.00 0.00 O ATOM 0 H SER A 33 -25.820 81.336 27.516 1.00 0.00 H new ATOM 0 HA SER A 33 -23.944 81.003 29.728 1.00 0.00 H new ATOM 0 HB2 SER A 33 -25.850 82.158 30.980 1.00 0.00 H new ATOM 0 HB3 SER A 33 -25.199 83.050 29.619 1.00 0.00 H new ATOM 0 HG SER A 33 -27.528 82.961 29.577 1.00 0.00 H new ATOM 535 N THR A 34 -26.636 79.142 29.509 1.00 0.00 N ATOM 536 CA THR A 34 -27.290 77.920 30.054 1.00 0.00 C ATOM 537 C THR A 34 -26.271 76.784 30.045 1.00 0.00 C ATOM 538 O THR A 34 -26.250 75.926 30.925 1.00 0.00 O ATOM 539 CB THR A 34 -28.476 77.551 29.159 1.00 0.00 C ATOM 540 OG1 THR A 34 -29.368 78.655 29.083 1.00 0.00 O ATOM 541 CG2 THR A 34 -29.208 76.340 29.739 1.00 0.00 C ATOM 0 H THR A 34 -27.064 79.513 28.661 1.00 0.00 H new ATOM 0 HA THR A 34 -27.643 78.095 31.070 1.00 0.00 H new ATOM 0 HB THR A 34 -28.113 77.304 28.162 1.00 0.00 H new ATOM 0 HG1 THR A 34 -30.128 78.423 28.509 1.00 0.00 H new ATOM 0 HG21 THR A 34 -30.051 76.083 29.097 1.00 0.00 H new ATOM 0 HG22 THR A 34 -28.523 75.494 29.796 1.00 0.00 H new ATOM 0 HG23 THR A 34 -29.572 76.579 30.738 1.00 0.00 H new ATOM 549 N VAL A 35 -25.395 76.790 29.068 1.00 0.00 N ATOM 550 CA VAL A 35 -24.363 75.739 29.007 1.00 0.00 C ATOM 551 C VAL A 35 -23.454 75.918 30.208 1.00 0.00 C ATOM 552 O VAL A 35 -23.049 74.963 30.807 1.00 0.00 O ATOM 553 CB VAL A 35 -23.492 75.826 27.739 1.00 0.00 C ATOM 554 CG1 VAL A 35 -23.102 74.411 27.327 1.00 0.00 C ATOM 555 CG2 VAL A 35 -24.200 76.491 26.559 1.00 0.00 C ATOM 0 H VAL A 35 -25.360 77.481 28.318 1.00 0.00 H new ATOM 0 HA VAL A 35 -24.869 74.773 28.996 1.00 0.00 H new ATOM 0 HB VAL A 35 -22.627 76.441 27.985 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -22.484 74.450 26.430 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -22.541 73.939 28.133 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -24.002 73.831 27.123 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -23.529 76.519 25.701 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -25.093 75.922 26.303 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -24.483 77.508 26.831 1.00 0.00 H new ATOM 565 N TYR A 36 -23.114 77.143 30.551 1.00 0.00 N ATOM 566 CA TYR A 36 -22.196 77.353 31.716 1.00 0.00 C ATOM 567 C TYR A 36 -22.863 76.945 33.012 1.00 0.00 C ATOM 568 O TYR A 36 -22.194 76.723 34.005 1.00 0.00 O ATOM 569 CB TYR A 36 -21.662 78.789 31.743 1.00 0.00 C ATOM 570 CG TYR A 36 -20.605 78.938 30.656 1.00 0.00 C ATOM 571 CD1 TYR A 36 -19.635 77.933 30.443 1.00 0.00 C ATOM 572 CD2 TYR A 36 -20.606 80.077 29.851 1.00 0.00 C ATOM 573 CE1 TYR A 36 -18.684 78.069 29.434 1.00 0.00 C ATOM 574 CE2 TYR A 36 -19.649 80.221 28.839 1.00 0.00 C ATOM 575 CZ TYR A 36 -18.689 79.217 28.626 1.00 0.00 C ATOM 576 OH TYR A 36 -17.741 79.370 27.635 1.00 0.00 O ATOM 0 H TYR A 36 -23.428 77.992 30.081 1.00 0.00 H new ATOM 0 HA TYR A 36 -21.328 76.704 31.598 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -22.474 79.497 31.580 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -21.234 79.015 32.720 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.631 77.052 31.068 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -21.345 80.848 30.008 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -17.947 77.296 29.274 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -19.649 81.106 28.220 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.403 78.490 27.367 1.00 0.00 H new ATOM 586 N LYS A 37 -24.154 76.750 33.006 1.00 0.00 N ATOM 587 CA LYS A 37 -24.817 76.249 34.209 1.00 0.00 C ATOM 588 C LYS A 37 -24.350 74.798 34.381 1.00 0.00 C ATOM 589 O LYS A 37 -24.071 74.330 35.467 1.00 0.00 O ATOM 590 CB LYS A 37 -26.323 76.294 33.983 1.00 0.00 C ATOM 591 CG LYS A 37 -27.024 75.889 35.260 1.00 0.00 C ATOM 592 CD LYS A 37 -28.360 75.227 34.924 1.00 0.00 C ATOM 593 CE LYS A 37 -28.147 73.727 34.717 1.00 0.00 C ATOM 594 NZ LYS A 37 -28.161 73.036 36.038 1.00 0.00 N ATOM 0 H LYS A 37 -24.767 76.921 32.209 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.580 76.840 35.094 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -26.630 77.297 33.687 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.602 75.623 33.171 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -26.398 75.200 35.828 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -27.188 76.763 35.890 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -29.075 75.396 35.729 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -28.783 75.673 34.024 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -28.930 73.323 34.075 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -27.197 73.550 34.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -28.118 72.007 35.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -27.339 73.341 36.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -29.035 73.277 36.547 1.00 0.00 H new ATOM 608 N VAL A 38 -24.261 74.100 33.276 1.00 0.00 N ATOM 609 CA VAL A 38 -23.813 72.682 33.276 1.00 0.00 C ATOM 610 C VAL A 38 -22.265 72.578 33.419 1.00 0.00 C ATOM 611 O VAL A 38 -21.753 71.906 34.293 1.00 0.00 O ATOM 612 CB VAL A 38 -24.300 72.080 31.936 1.00 0.00 C ATOM 613 CG1 VAL A 38 -23.408 70.934 31.439 1.00 0.00 C ATOM 614 CG2 VAL A 38 -25.726 71.569 32.122 1.00 0.00 C ATOM 0 H VAL A 38 -24.487 74.468 32.352 1.00 0.00 H new ATOM 0 HA VAL A 38 -24.227 72.137 34.124 1.00 0.00 H new ATOM 0 HB VAL A 38 -24.256 72.866 31.182 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -23.799 70.552 30.496 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -22.393 71.302 31.289 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -23.398 70.134 32.179 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -26.084 71.141 31.186 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -25.740 70.805 32.899 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -26.373 72.396 32.414 1.00 0.00 H new ATOM 624 N ILE A 39 -21.540 73.215 32.536 1.00 0.00 N ATOM 625 CA ILE A 39 -20.035 73.163 32.536 1.00 0.00 C ATOM 626 C ILE A 39 -19.516 73.574 33.910 1.00 0.00 C ATOM 627 O ILE A 39 -18.525 73.062 34.396 1.00 0.00 O ATOM 628 CB ILE A 39 -19.501 74.115 31.453 1.00 0.00 C ATOM 629 CG1 ILE A 39 -20.198 73.848 30.124 1.00 0.00 C ATOM 630 CG2 ILE A 39 -18.000 73.952 31.219 1.00 0.00 C ATOM 631 CD1 ILE A 39 -20.511 75.176 29.493 1.00 0.00 C ATOM 0 H ILE A 39 -21.935 73.788 31.790 1.00 0.00 H new ATOM 0 HA ILE A 39 -19.693 72.151 32.320 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.700 75.125 31.812 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -19.558 73.256 29.470 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -21.112 73.275 30.281 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.675 74.647 30.445 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.463 74.161 32.144 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.790 72.931 30.901 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -21.011 75.016 28.538 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -21.163 75.748 30.153 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.586 75.728 29.330 1.00 0.00 H new ATOM 643 N ASN A 40 -20.205 74.480 34.540 1.00 0.00 N ATOM 644 CA ASN A 40 -19.803 74.931 35.899 1.00 0.00 C ATOM 645 C ASN A 40 -20.069 73.797 36.887 1.00 0.00 C ATOM 646 O ASN A 40 -19.282 73.537 37.777 1.00 0.00 O ATOM 647 CB ASN A 40 -20.643 76.143 36.295 1.00 0.00 C ATOM 648 CG ASN A 40 -20.142 76.702 37.628 1.00 0.00 C ATOM 649 OD1 ASN A 40 -20.193 76.031 38.639 1.00 0.00 O ATOM 650 ND2 ASN A 40 -19.655 77.912 37.672 1.00 0.00 N ATOM 0 H ASN A 40 -21.039 74.933 34.167 1.00 0.00 H new ATOM 0 HA ASN A 40 -18.746 75.199 35.907 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -20.581 76.909 35.522 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -21.692 75.859 36.380 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.317 78.294 38.555 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.612 78.476 36.823 1.00 0.00 H new ATOM 657 N GLU A 41 -21.183 73.122 36.733 1.00 0.00 N ATOM 658 CA GLU A 41 -21.519 71.999 37.659 1.00 0.00 C ATOM 659 C GLU A 41 -20.445 70.911 37.566 1.00 0.00 C ATOM 660 O GLU A 41 -20.182 70.215 38.521 1.00 0.00 O ATOM 661 CB GLU A 41 -22.876 71.410 37.275 1.00 0.00 C ATOM 662 CG GLU A 41 -23.990 72.343 37.753 1.00 0.00 C ATOM 663 CD GLU A 41 -25.317 71.921 37.120 1.00 0.00 C ATOM 664 OE1 GLU A 41 -25.296 71.493 35.977 1.00 0.00 O ATOM 665 OE2 GLU A 41 -26.331 72.031 37.789 1.00 0.00 O ATOM 0 H GLU A 41 -21.874 73.302 36.004 1.00 0.00 H new ATOM 0 HA GLU A 41 -21.561 72.376 38.681 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -22.935 71.279 36.194 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -22.996 70.423 37.723 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.066 72.308 38.840 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -23.757 73.373 37.482 1.00 0.00 H new ATOM 672 N SER A 42 -19.834 70.769 36.416 1.00 0.00 N ATOM 673 CA SER A 42 -18.772 69.736 36.220 1.00 0.00 C ATOM 674 C SER A 42 -19.365 68.334 36.424 1.00 0.00 C ATOM 675 O SER A 42 -19.788 67.695 35.478 1.00 0.00 O ATOM 676 CB SER A 42 -17.614 69.984 37.197 1.00 0.00 C ATOM 677 OG SER A 42 -16.690 68.907 37.109 1.00 0.00 O ATOM 0 H SER A 42 -20.030 71.336 35.591 1.00 0.00 H new ATOM 0 HA SER A 42 -18.385 69.804 35.203 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.118 70.925 36.960 1.00 0.00 H new ATOM 0 HB3 SER A 42 -17.994 70.071 38.215 1.00 0.00 H new ATOM 0 HG SER A 42 -15.948 69.061 37.730 1.00 0.00 H new ATOM 683 N ASN A 43 -19.400 67.848 37.641 1.00 0.00 N ATOM 684 CA ASN A 43 -19.964 66.488 37.904 1.00 0.00 C ATOM 685 C ASN A 43 -19.174 65.439 37.118 1.00 0.00 C ATOM 686 O ASN A 43 -18.254 65.823 36.414 1.00 0.00 O ATOM 687 CB ASN A 43 -21.434 66.448 37.473 1.00 0.00 C ATOM 688 CG ASN A 43 -22.326 66.780 38.671 1.00 0.00 C ATOM 689 OD1 ASN A 43 -21.979 67.605 39.492 1.00 0.00 O ATOM 690 ND2 ASN A 43 -23.470 66.166 38.806 1.00 0.00 N ATOM 691 OXT ASN A 43 -19.501 64.269 37.234 1.00 0.00 O ATOM 0 H ASN A 43 -19.060 68.339 38.468 1.00 0.00 H new ATOM 0 HA ASN A 43 -19.892 66.271 38.970 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -21.608 67.162 36.668 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.683 65.461 37.083 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -24.072 66.379 39.601 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -23.761 65.473 38.116 1.00 0.00 H new TER 698 ASN A 43