USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=10 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 Set 1.1: A 23 HIS : no HD1:sc= -10.4! C(o=-11!,f=-7.2!) USER MOD Set 1.2: A 27 THR OG1 : rot -62:sc= -0.853 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.4) USER MOD Single : A 14 MET CE :methyl -109:sc= -5.13! (180deg=-12.1!) USER MOD Single : A 16 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.9!) USER MOD Single : A 17 GLN : amide:sc= -0.0911 K(o=-0.091,f=-2!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -77:sc= 0.35 USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.962 (180deg=-1.75!) USER MOD Single : A 28 MET CE :methyl 139:sc= -5.16! (180deg=-6.03!) USER MOD Single : A 29 ASN : amide:sc=-0.00274 K(o=-0.0027,f=-0.54) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 23:sc= 0.00236 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.19 K(o=-2.2,f=-3) USER MOD Single : A 42 SER OG : rot 86:sc= 0.162 USER MOD Single : A 43 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.837 45.695 21.568 1.00 0.00 N ATOM 2 CA GLY A 1 -29.789 46.729 21.337 1.00 0.00 C ATOM 3 C GLY A 1 -29.905 47.821 22.401 1.00 0.00 C ATOM 4 O GLY A 1 -30.511 48.853 22.179 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.758 44.953 20.844 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.708 45.275 22.511 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.778 46.135 21.511 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.799 46.274 21.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.903 47.162 20.343 1.00 0.00 H new ATOM 10 N ARG A 2 -29.330 47.600 23.557 1.00 0.00 N ATOM 11 CA ARG A 2 -29.400 48.614 24.648 1.00 0.00 C ATOM 12 C ARG A 2 -28.778 49.935 24.177 1.00 0.00 C ATOM 13 O ARG A 2 -27.592 50.015 23.917 1.00 0.00 O ATOM 14 CB ARG A 2 -28.640 48.080 25.865 1.00 0.00 C ATOM 15 CG ARG A 2 -27.179 47.806 25.490 1.00 0.00 C ATOM 16 CD ARG A 2 -26.652 46.630 26.314 1.00 0.00 C ATOM 17 NE ARG A 2 -27.427 45.396 25.975 1.00 0.00 N ATOM 18 CZ ARG A 2 -27.000 44.198 26.325 1.00 0.00 C ATOM 19 NH1 ARG A 2 -25.878 44.034 26.987 1.00 0.00 N ATOM 20 NH2 ARG A 2 -27.710 43.151 26.006 1.00 0.00 N ATOM 0 H ARG A 2 -28.812 46.753 23.791 1.00 0.00 H new ATOM 0 HA ARG A 2 -30.441 48.798 24.915 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -28.686 48.803 26.679 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -29.110 47.165 26.225 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -27.102 47.582 24.426 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -26.573 48.693 25.674 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -25.593 46.475 26.109 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -26.742 46.848 27.378 1.00 0.00 H new ATOM 0 HE ARG A 2 -28.304 45.483 25.462 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -25.314 44.844 27.243 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -25.571 43.096 27.245 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -28.584 43.265 25.492 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -27.391 42.219 26.270 1.00 0.00 H new ATOM 34 N LYS A 3 -29.575 50.968 24.064 1.00 0.00 N ATOM 35 CA LYS A 3 -29.051 52.287 23.609 1.00 0.00 C ATOM 36 C LYS A 3 -27.964 52.780 24.573 1.00 0.00 C ATOM 37 O LYS A 3 -27.523 52.057 25.447 1.00 0.00 O ATOM 38 CB LYS A 3 -30.208 53.288 23.567 1.00 0.00 C ATOM 39 CG LYS A 3 -30.835 53.424 24.958 1.00 0.00 C ATOM 40 CD LYS A 3 -31.808 54.604 24.967 1.00 0.00 C ATOM 41 CE LYS A 3 -33.215 54.109 24.627 1.00 0.00 C ATOM 42 NZ LYS A 3 -33.950 53.800 25.885 1.00 0.00 N ATOM 0 H LYS A 3 -30.574 50.951 24.270 1.00 0.00 H new ATOM 0 HA LYS A 3 -28.614 52.188 22.616 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -29.848 54.258 23.225 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -30.960 52.957 22.851 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -31.358 52.506 25.224 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -30.057 53.575 25.706 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -31.806 55.083 25.946 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -31.491 55.356 24.244 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -33.751 54.868 24.057 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -33.157 53.220 23.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -34.907 53.463 25.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -33.441 53.062 26.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -34.016 54.659 26.468 1.00 0.00 H new ATOM 56 N ARG A 4 -27.533 54.007 24.416 1.00 0.00 N ATOM 57 CA ARG A 4 -26.476 54.557 25.315 1.00 0.00 C ATOM 58 C ARG A 4 -27.113 55.514 26.325 1.00 0.00 C ATOM 59 O ARG A 4 -28.056 56.217 26.017 1.00 0.00 O ATOM 60 CB ARG A 4 -25.440 55.312 24.480 1.00 0.00 C ATOM 61 CG ARG A 4 -24.307 54.361 24.089 1.00 0.00 C ATOM 62 CD ARG A 4 -24.832 53.316 23.103 1.00 0.00 C ATOM 63 NE ARG A 4 -23.766 52.994 22.104 1.00 0.00 N ATOM 64 CZ ARG A 4 -23.849 51.932 21.327 1.00 0.00 C ATOM 65 NH1 ARG A 4 -24.870 51.108 21.395 1.00 0.00 N ATOM 66 NH2 ARG A 4 -22.894 51.693 20.470 1.00 0.00 N ATOM 0 H ARG A 4 -27.870 54.652 23.701 1.00 0.00 H new ATOM 0 HA ARG A 4 -25.989 53.740 25.847 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -25.908 55.724 23.586 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -25.043 56.153 25.048 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -23.487 54.921 23.639 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -23.908 53.870 24.977 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -25.130 52.414 23.637 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -25.720 53.693 22.595 1.00 0.00 H new ATOM 0 HE ARG A 4 -22.957 53.610 22.022 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -25.623 51.283 22.060 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -24.910 50.294 20.782 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -22.095 52.324 20.407 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -22.946 50.875 19.863 1.00 0.00 H new ATOM 80 N LYS A 5 -26.602 55.543 27.531 1.00 0.00 N ATOM 81 CA LYS A 5 -27.167 56.445 28.574 1.00 0.00 C ATOM 82 C LYS A 5 -27.064 57.906 28.116 1.00 0.00 C ATOM 83 O LYS A 5 -26.369 58.219 27.167 1.00 0.00 O ATOM 84 CB LYS A 5 -26.382 56.247 29.875 1.00 0.00 C ATOM 85 CG LYS A 5 -24.903 56.582 29.651 1.00 0.00 C ATOM 86 CD LYS A 5 -24.037 55.694 30.547 1.00 0.00 C ATOM 87 CE LYS A 5 -22.560 56.008 30.302 1.00 0.00 C ATOM 88 NZ LYS A 5 -21.736 54.811 30.634 1.00 0.00 N ATOM 0 H LYS A 5 -25.812 54.975 27.837 1.00 0.00 H new ATOM 0 HA LYS A 5 -28.218 56.206 28.738 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -26.793 56.884 30.658 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -26.482 55.217 30.217 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -24.639 56.429 28.605 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -24.719 57.633 29.875 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -24.287 55.863 31.595 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -24.236 54.643 30.337 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -22.405 56.292 29.261 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -22.251 56.856 30.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.732 55.024 30.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -21.876 54.560 31.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -22.025 54.013 30.033 1.00 0.00 H new ATOM 102 N ILE A 6 -27.749 58.796 28.787 1.00 0.00 N ATOM 103 CA ILE A 6 -27.697 60.237 28.402 1.00 0.00 C ATOM 104 C ILE A 6 -26.672 60.959 29.280 1.00 0.00 C ATOM 105 O ILE A 6 -26.963 61.346 30.396 1.00 0.00 O ATOM 106 CB ILE A 6 -29.077 60.870 28.602 1.00 0.00 C ATOM 107 CG1 ILE A 6 -30.140 60.055 27.844 1.00 0.00 C ATOM 108 CG2 ILE A 6 -29.063 62.312 28.085 1.00 0.00 C ATOM 109 CD1 ILE A 6 -29.825 60.027 26.342 1.00 0.00 C ATOM 0 H ILE A 6 -28.344 58.585 29.588 1.00 0.00 H new ATOM 0 HA ILE A 6 -27.407 60.325 27.355 1.00 0.00 H new ATOM 0 HB ILE A 6 -29.320 60.872 29.665 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -30.173 59.038 28.234 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -31.126 60.491 28.007 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -30.046 62.760 28.229 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -28.318 62.888 28.634 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -28.814 62.316 27.024 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -30.587 59.447 25.821 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -29.816 61.045 25.953 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -28.849 59.569 26.183 1.00 0.00 H new ATOM 121 N ASP A 7 -25.475 61.139 28.783 1.00 0.00 N ATOM 122 CA ASP A 7 -24.423 61.833 29.581 1.00 0.00 C ATOM 123 C ASP A 7 -24.236 63.258 29.050 1.00 0.00 C ATOM 124 O ASP A 7 -23.138 63.675 28.728 1.00 0.00 O ATOM 125 CB ASP A 7 -23.108 61.057 29.465 1.00 0.00 C ATOM 126 CG ASP A 7 -22.201 61.408 30.646 1.00 0.00 C ATOM 127 OD1 ASP A 7 -21.790 62.553 30.731 1.00 0.00 O ATOM 128 OD2 ASP A 7 -21.934 60.526 31.444 1.00 0.00 O ATOM 0 H ASP A 7 -25.181 60.834 27.855 1.00 0.00 H new ATOM 0 HA ASP A 7 -24.724 61.879 30.628 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -23.306 59.985 29.451 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -22.611 61.301 28.526 1.00 0.00 H new ATOM 133 N ARG A 8 -25.306 64.010 28.955 1.00 0.00 N ATOM 134 CA ARG A 8 -25.209 65.412 28.446 1.00 0.00 C ATOM 135 C ARG A 8 -24.673 65.398 27.011 1.00 0.00 C ATOM 136 O ARG A 8 -23.570 65.837 26.742 1.00 0.00 O ATOM 137 CB ARG A 8 -24.269 66.226 29.345 1.00 0.00 C ATOM 138 CG ARG A 8 -24.713 66.094 30.804 1.00 0.00 C ATOM 139 CD ARG A 8 -26.003 66.887 31.021 1.00 0.00 C ATOM 140 NE ARG A 8 -26.837 66.206 32.059 1.00 0.00 N ATOM 141 CZ ARG A 8 -27.860 66.815 32.628 1.00 0.00 C ATOM 142 NH1 ARG A 8 -28.195 68.043 32.306 1.00 0.00 N ATOM 143 NH2 ARG A 8 -28.556 66.181 33.531 1.00 0.00 N ATOM 0 H ARG A 8 -26.247 63.710 29.210 1.00 0.00 H new ATOM 0 HA ARG A 8 -26.198 65.871 28.457 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.244 65.872 29.233 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.279 67.274 29.045 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.873 65.045 31.053 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -23.931 66.463 31.468 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.769 67.904 31.337 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.558 66.963 30.086 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.610 65.250 32.333 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.660 68.549 31.601 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.990 68.491 32.761 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.307 65.226 33.789 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.349 66.640 33.979 1.00 0.00 H new ATOM 157 N ASP A 9 -25.453 64.894 26.088 1.00 0.00 N ATOM 158 CA ASP A 9 -25.006 64.844 24.665 1.00 0.00 C ATOM 159 C ASP A 9 -24.944 66.264 24.089 1.00 0.00 C ATOM 160 O ASP A 9 -24.237 66.518 23.132 1.00 0.00 O ATOM 161 CB ASP A 9 -25.997 64.010 23.850 1.00 0.00 C ATOM 162 CG ASP A 9 -25.608 62.532 23.930 1.00 0.00 C ATOM 163 OD1 ASP A 9 -24.508 62.206 23.516 1.00 0.00 O ATOM 164 OD2 ASP A 9 -26.418 61.752 24.405 1.00 0.00 O ATOM 0 H ASP A 9 -26.384 64.514 26.261 1.00 0.00 H new ATOM 0 HA ASP A 9 -24.016 64.391 24.615 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -27.008 64.152 24.232 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -25.999 64.341 22.811 1.00 0.00 H new ATOM 169 N ALA A 10 -25.679 67.187 24.661 1.00 0.00 N ATOM 170 CA ALA A 10 -25.664 68.588 24.144 1.00 0.00 C ATOM 171 C ALA A 10 -24.326 69.249 24.484 1.00 0.00 C ATOM 172 O ALA A 10 -23.575 69.640 23.609 1.00 0.00 O ATOM 173 CB ALA A 10 -26.801 69.381 24.791 1.00 0.00 C ATOM 0 H ALA A 10 -26.288 67.029 25.464 1.00 0.00 H new ATOM 0 HA ALA A 10 -25.796 68.575 23.062 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -26.791 70.404 24.415 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.755 68.914 24.547 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.668 69.391 25.873 1.00 0.00 H new ATOM 179 N VAL A 11 -24.023 69.376 25.753 1.00 0.00 N ATOM 180 CA VAL A 11 -22.735 70.013 26.168 1.00 0.00 C ATOM 181 C VAL A 11 -21.559 69.248 25.557 1.00 0.00 C ATOM 182 O VAL A 11 -20.542 69.822 25.208 1.00 0.00 O ATOM 183 CB VAL A 11 -22.621 69.983 27.693 1.00 0.00 C ATOM 184 CG1 VAL A 11 -21.386 70.775 28.132 1.00 0.00 C ATOM 185 CG2 VAL A 11 -23.875 70.609 28.311 1.00 0.00 C ATOM 0 H VAL A 11 -24.616 69.064 26.522 1.00 0.00 H new ATOM 0 HA VAL A 11 -22.715 71.045 25.818 1.00 0.00 H new ATOM 0 HB VAL A 11 -22.526 68.950 28.028 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -21.307 70.752 29.219 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.493 70.329 27.694 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -21.478 71.808 27.796 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -23.794 70.588 29.398 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -23.970 71.641 27.974 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -24.754 70.044 28.001 1.00 0.00 H new ATOM 195 N LEU A 12 -21.698 67.956 25.425 1.00 0.00 N ATOM 196 CA LEU A 12 -20.604 67.135 24.837 1.00 0.00 C ATOM 197 C LEU A 12 -20.436 67.499 23.362 1.00 0.00 C ATOM 198 O LEU A 12 -19.343 67.513 22.839 1.00 0.00 O ATOM 199 CB LEU A 12 -20.960 65.650 24.965 1.00 0.00 C ATOM 200 CG LEU A 12 -20.230 65.050 26.167 1.00 0.00 C ATOM 201 CD1 LEU A 12 -20.756 65.686 27.456 1.00 0.00 C ATOM 202 CD2 LEU A 12 -20.472 63.539 26.209 1.00 0.00 C ATOM 0 H LEU A 12 -22.528 67.432 25.702 1.00 0.00 H new ATOM 0 HA LEU A 12 -19.671 67.330 25.366 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -22.037 65.533 25.085 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -20.681 65.119 24.055 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.162 65.245 26.076 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.235 65.257 28.312 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.584 66.762 27.428 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.825 65.492 27.548 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.952 63.111 27.066 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.541 63.344 26.299 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.096 63.085 25.292 1.00 0.00 H new ATOM 214 N ASN A 13 -21.514 67.797 22.690 1.00 0.00 N ATOM 215 CA ASN A 13 -21.422 68.162 21.244 1.00 0.00 C ATOM 216 C ASN A 13 -20.643 69.473 21.091 1.00 0.00 C ATOM 217 O ASN A 13 -20.023 69.721 20.075 1.00 0.00 O ATOM 218 CB ASN A 13 -22.831 68.337 20.674 1.00 0.00 C ATOM 219 CG ASN A 13 -22.753 68.476 19.152 1.00 0.00 C ATOM 220 OD1 ASN A 13 -22.366 69.510 18.644 1.00 0.00 O ATOM 221 ND2 ASN A 13 -23.106 67.471 18.398 1.00 0.00 N ATOM 0 H ASN A 13 -22.457 67.804 23.079 1.00 0.00 H new ATOM 0 HA ASN A 13 -20.904 67.370 20.703 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.451 67.481 20.940 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.303 69.219 21.107 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.057 67.553 17.383 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.431 66.603 18.824 1.00 0.00 H new ATOM 228 N MET A 14 -20.680 70.315 22.091 1.00 0.00 N ATOM 229 CA MET A 14 -19.972 71.606 22.027 1.00 0.00 C ATOM 230 C MET A 14 -18.452 71.385 22.063 1.00 0.00 C ATOM 231 O MET A 14 -17.756 71.678 21.118 1.00 0.00 O ATOM 232 CB MET A 14 -20.395 72.444 23.243 1.00 0.00 C ATOM 233 CG MET A 14 -21.927 72.481 23.363 1.00 0.00 C ATOM 234 SD MET A 14 -22.414 73.469 24.798 1.00 0.00 S ATOM 235 CE MET A 14 -24.161 73.006 24.782 1.00 0.00 C ATOM 0 H MET A 14 -21.184 70.149 22.962 1.00 0.00 H new ATOM 0 HA MET A 14 -20.225 72.119 21.099 1.00 0.00 H new ATOM 0 HB2 MET A 14 -19.963 72.023 24.151 1.00 0.00 H new ATOM 0 HB3 MET A 14 -20.007 73.458 23.146 1.00 0.00 H new ATOM 0 HG2 MET A 14 -22.361 72.904 22.457 1.00 0.00 H new ATOM 0 HG3 MET A 14 -22.317 71.468 23.460 1.00 0.00 H new ATOM 0 HE1 MET A 14 -24.760 73.858 24.462 1.00 0.00 H new ATOM 0 HE2 MET A 14 -24.311 72.177 24.090 1.00 0.00 H new ATOM 0 HE3 MET A 14 -24.466 72.703 25.784 1.00 0.00 H new ATOM 245 N TRP A 15 -17.940 70.891 23.160 1.00 0.00 N ATOM 246 CA TRP A 15 -16.454 70.690 23.297 1.00 0.00 C ATOM 247 C TRP A 15 -15.919 69.581 22.392 1.00 0.00 C ATOM 248 O TRP A 15 -14.720 69.463 22.210 1.00 0.00 O ATOM 249 CB TRP A 15 -16.137 70.287 24.733 1.00 0.00 C ATOM 250 CG TRP A 15 -16.584 71.336 25.662 1.00 0.00 C ATOM 251 CD1 TRP A 15 -17.728 71.287 26.350 1.00 0.00 C ATOM 252 CD2 TRP A 15 -15.922 72.573 26.028 1.00 0.00 C ATOM 253 NE1 TRP A 15 -17.826 72.428 27.115 1.00 0.00 N ATOM 254 CE2 TRP A 15 -16.735 73.263 26.935 1.00 0.00 C ATOM 255 CE3 TRP A 15 -14.713 73.161 25.656 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -16.356 74.507 27.444 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -14.332 74.396 26.173 1.00 0.00 C ATOM 258 CH2 TRP A 15 -15.159 75.068 27.060 1.00 0.00 C ATOM 0 H TRP A 15 -18.486 70.614 23.976 1.00 0.00 H new ATOM 0 HA TRP A 15 -15.983 71.631 23.013 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -16.630 69.345 24.972 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.065 70.124 24.845 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -18.453 70.488 26.313 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -18.607 72.633 27.738 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -14.065 72.652 24.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.000 75.028 28.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -13.388 74.833 25.882 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -14.864 76.031 27.450 1.00 0.00 H new ATOM 269 N GLN A 16 -16.765 68.742 21.872 1.00 0.00 N ATOM 270 CA GLN A 16 -16.263 67.612 21.038 1.00 0.00 C ATOM 271 C GLN A 16 -16.233 67.961 19.541 1.00 0.00 C ATOM 272 O GLN A 16 -15.829 67.147 18.730 1.00 0.00 O ATOM 273 CB GLN A 16 -17.153 66.400 21.291 1.00 0.00 C ATOM 274 CG GLN A 16 -17.063 66.026 22.777 1.00 0.00 C ATOM 275 CD GLN A 16 -18.053 64.901 23.081 1.00 0.00 C ATOM 276 OE1 GLN A 16 -19.107 64.826 22.483 1.00 0.00 O ATOM 277 NE2 GLN A 16 -17.754 64.014 23.991 1.00 0.00 N ATOM 0 H GLN A 16 -17.778 68.786 21.985 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.233 67.395 21.322 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -18.184 66.625 21.020 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -16.836 65.562 20.670 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -16.049 65.709 23.022 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.283 66.896 23.396 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.868 64.077 24.493 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.406 63.258 24.200 1.00 0.00 H new ATOM 286 N GLN A 17 -16.647 69.146 19.160 1.00 0.00 N ATOM 287 CA GLN A 17 -16.628 69.514 17.714 1.00 0.00 C ATOM 288 C GLN A 17 -15.566 70.594 17.440 1.00 0.00 C ATOM 289 O GLN A 17 -15.646 71.308 16.458 1.00 0.00 O ATOM 290 CB GLN A 17 -18.006 70.042 17.341 1.00 0.00 C ATOM 291 CG GLN A 17 -19.045 68.965 17.637 1.00 0.00 C ATOM 292 CD GLN A 17 -18.978 67.877 16.563 1.00 0.00 C ATOM 293 OE1 GLN A 17 -18.555 68.129 15.452 1.00 0.00 O ATOM 294 NE2 GLN A 17 -19.381 66.669 16.849 1.00 0.00 N ATOM 0 H GLN A 17 -16.996 69.870 19.788 1.00 0.00 H new ATOM 0 HA GLN A 17 -16.378 68.637 17.117 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -18.229 70.946 17.907 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -18.033 70.312 16.285 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -18.863 68.531 18.620 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -20.042 69.405 17.662 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -19.736 66.457 17.781 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -19.341 65.937 16.140 1.00 0.00 H new ATOM 303 N GLY A 18 -14.574 70.719 18.293 1.00 0.00 N ATOM 304 CA GLY A 18 -13.511 71.756 18.073 1.00 0.00 C ATOM 305 C GLY A 18 -14.071 73.145 18.394 1.00 0.00 C ATOM 306 O GLY A 18 -14.053 74.042 17.573 1.00 0.00 O ATOM 0 H GLY A 18 -14.454 70.149 19.130 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.648 71.546 18.705 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.165 71.723 17.040 1.00 0.00 H new ATOM 310 N LEU A 19 -14.587 73.316 19.582 1.00 0.00 N ATOM 311 CA LEU A 19 -15.182 74.628 19.991 1.00 0.00 C ATOM 312 C LEU A 19 -14.489 75.122 21.258 1.00 0.00 C ATOM 313 O LEU A 19 -13.483 74.580 21.677 1.00 0.00 O ATOM 314 CB LEU A 19 -16.654 74.409 20.310 1.00 0.00 C ATOM 315 CG LEU A 19 -17.535 74.306 19.069 1.00 0.00 C ATOM 316 CD1 LEU A 19 -17.032 73.210 18.140 1.00 0.00 C ATOM 317 CD2 LEU A 19 -18.945 73.955 19.545 1.00 0.00 C ATOM 0 H LEU A 19 -14.623 72.592 20.300 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.061 75.356 19.189 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -16.759 73.497 20.897 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -17.009 75.231 20.931 1.00 0.00 H new ATOM 0 HG LEU A 19 -17.520 75.247 18.520 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.675 73.154 17.262 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.012 73.436 17.829 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -17.048 72.254 18.663 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -19.609 73.872 18.685 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.923 73.005 20.080 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -19.310 74.737 20.210 1.00 0.00 H new ATOM 329 N GLY A 20 -15.035 76.139 21.883 1.00 0.00 N ATOM 330 CA GLY A 20 -14.414 76.655 23.144 1.00 0.00 C ATOM 331 C GLY A 20 -15.222 77.815 23.758 1.00 0.00 C ATOM 332 O GLY A 20 -15.342 78.859 23.171 1.00 0.00 O ATOM 0 H GLY A 20 -15.876 76.630 21.578 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.338 75.844 23.868 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.399 76.992 22.936 1.00 0.00 H new ATOM 336 N ALA A 21 -15.753 77.603 24.953 1.00 0.00 N ATOM 337 CA ALA A 21 -16.547 78.639 25.729 1.00 0.00 C ATOM 338 C ALA A 21 -17.313 79.620 24.840 1.00 0.00 C ATOM 339 O ALA A 21 -18.499 79.482 24.664 1.00 0.00 O ATOM 340 CB ALA A 21 -15.610 79.429 26.643 1.00 0.00 C ATOM 0 H ALA A 21 -15.664 76.714 25.445 1.00 0.00 H new ATOM 0 HA ALA A 21 -17.287 78.084 26.305 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -16.184 80.171 27.198 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.125 78.748 27.342 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.853 79.931 26.041 1.00 0.00 H new ATOM 346 N SER A 22 -16.646 80.621 24.293 1.00 0.00 N ATOM 347 CA SER A 22 -17.336 81.629 23.412 1.00 0.00 C ATOM 348 C SER A 22 -18.245 80.900 22.419 1.00 0.00 C ATOM 349 O SER A 22 -19.437 81.141 22.362 1.00 0.00 O ATOM 350 CB SER A 22 -16.288 82.436 22.645 1.00 0.00 C ATOM 351 OG SER A 22 -16.758 83.765 22.464 1.00 0.00 O ATOM 0 H SER A 22 -15.647 80.782 24.421 1.00 0.00 H new ATOM 0 HA SER A 22 -17.934 82.301 24.027 1.00 0.00 H new ATOM 0 HB2 SER A 22 -15.345 82.443 23.192 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.092 81.973 21.678 1.00 0.00 H new ATOM 0 HG SER A 22 -16.087 84.285 21.974 1.00 0.00 H new ATOM 357 N HIS A 23 -17.693 79.976 21.680 1.00 0.00 N ATOM 358 CA HIS A 23 -18.522 79.189 20.738 1.00 0.00 C ATOM 359 C HIS A 23 -19.301 78.154 21.553 1.00 0.00 C ATOM 360 O HIS A 23 -20.425 77.825 21.231 1.00 0.00 O ATOM 361 CB HIS A 23 -17.637 78.486 19.707 1.00 0.00 C ATOM 362 CG HIS A 23 -18.517 77.764 18.725 1.00 0.00 C ATOM 363 ND1 HIS A 23 -18.511 78.047 17.369 1.00 0.00 N ATOM 364 CD2 HIS A 23 -19.455 76.779 18.901 1.00 0.00 C ATOM 365 CE1 HIS A 23 -19.423 77.247 16.786 1.00 0.00 C ATOM 366 NE2 HIS A 23 -20.028 76.454 17.676 1.00 0.00 N ATOM 0 H HIS A 23 -16.702 79.736 21.692 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.206 79.846 20.200 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.011 79.212 19.189 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -16.967 77.783 20.202 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -19.710 76.325 19.847 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -19.640 77.246 15.728 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -20.754 75.760 17.496 1.00 0.00 H new ATOM 374 N ILE A 24 -18.724 77.664 22.632 1.00 0.00 N ATOM 375 CA ILE A 24 -19.453 76.661 23.485 1.00 0.00 C ATOM 376 C ILE A 24 -20.615 77.331 24.238 1.00 0.00 C ATOM 377 O ILE A 24 -21.295 76.685 25.015 1.00 0.00 O ATOM 378 CB ILE A 24 -18.491 76.055 24.521 1.00 0.00 C ATOM 379 CG1 ILE A 24 -17.272 75.477 23.808 1.00 0.00 C ATOM 380 CG2 ILE A 24 -19.191 74.951 25.313 1.00 0.00 C ATOM 381 CD1 ILE A 24 -17.633 74.191 23.065 1.00 0.00 C ATOM 0 H ILE A 24 -17.789 77.912 22.956 1.00 0.00 H new ATOM 0 HA ILE A 24 -19.843 75.882 22.829 1.00 0.00 H new ATOM 0 HB ILE A 24 -18.176 76.838 25.211 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -16.876 76.209 23.104 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -16.484 75.274 24.533 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -18.498 74.531 26.042 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -20.055 75.367 25.831 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -19.519 74.166 24.631 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.747 73.799 22.565 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -18.006 73.453 23.775 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -18.404 74.403 22.324 1.00 0.00 H new ATOM 393 N SER A 25 -20.836 78.613 24.050 1.00 0.00 N ATOM 394 CA SER A 25 -21.936 79.291 24.799 1.00 0.00 C ATOM 395 C SER A 25 -22.725 80.262 23.907 1.00 0.00 C ATOM 396 O SER A 25 -23.652 80.902 24.370 1.00 0.00 O ATOM 397 CB SER A 25 -21.322 80.074 25.958 1.00 0.00 C ATOM 398 OG SER A 25 -20.699 81.252 25.458 1.00 0.00 O ATOM 0 H SER A 25 -20.306 79.211 23.416 1.00 0.00 H new ATOM 0 HA SER A 25 -22.627 78.528 25.156 1.00 0.00 H new ATOM 0 HB2 SER A 25 -22.093 80.337 26.682 1.00 0.00 H new ATOM 0 HB3 SER A 25 -20.591 79.457 26.481 1.00 0.00 H new ATOM 0 HG SER A 25 -19.837 81.020 25.054 1.00 0.00 H new ATOM 404 N LYS A 26 -22.374 80.398 22.651 1.00 0.00 N ATOM 405 CA LYS A 26 -23.107 81.341 21.771 1.00 0.00 C ATOM 406 C LYS A 26 -23.767 80.534 20.642 1.00 0.00 C ATOM 407 O LYS A 26 -24.889 80.798 20.253 1.00 0.00 O ATOM 408 CB LYS A 26 -22.077 82.362 21.250 1.00 0.00 C ATOM 409 CG LYS A 26 -22.519 83.017 19.936 1.00 0.00 C ATOM 410 CD LYS A 26 -21.904 82.253 18.753 1.00 0.00 C ATOM 411 CE LYS A 26 -20.359 82.224 18.810 1.00 0.00 C ATOM 412 NZ LYS A 26 -19.803 83.396 19.556 1.00 0.00 N ATOM 0 H LYS A 26 -21.609 79.893 22.203 1.00 0.00 H new ATOM 0 HA LYS A 26 -23.900 81.880 22.290 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -21.921 83.134 22.004 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -21.119 81.864 21.101 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.606 83.011 19.861 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -22.204 84.060 19.913 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.284 81.231 18.747 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.222 82.717 17.819 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -20.031 81.301 19.289 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -19.959 82.217 17.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.793 83.502 19.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -20.312 84.259 19.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.918 83.243 20.578 1.00 0.00 H new ATOM 426 N THR A 27 -23.077 79.550 20.127 1.00 0.00 N ATOM 427 CA THR A 27 -23.649 78.713 19.039 1.00 0.00 C ATOM 428 C THR A 27 -24.384 77.519 19.656 1.00 0.00 C ATOM 429 O THR A 27 -25.307 76.980 19.074 1.00 0.00 O ATOM 430 CB THR A 27 -22.515 78.212 18.141 1.00 0.00 C ATOM 431 OG1 THR A 27 -21.774 79.322 17.653 1.00 0.00 O ATOM 432 CG2 THR A 27 -23.097 77.429 16.966 1.00 0.00 C ATOM 0 H THR A 27 -22.134 79.291 20.418 1.00 0.00 H new ATOM 0 HA THR A 27 -24.348 79.302 18.446 1.00 0.00 H new ATOM 0 HB THR A 27 -21.858 77.560 18.717 1.00 0.00 H new ATOM 0 HG1 THR A 27 -22.357 79.891 17.109 1.00 0.00 H new ATOM 0 HG21 THR A 27 -22.287 77.074 16.329 1.00 0.00 H new ATOM 0 HG22 THR A 27 -23.664 76.577 17.342 1.00 0.00 H new ATOM 0 HG23 THR A 27 -23.756 78.077 16.388 1.00 0.00 H new ATOM 440 N MET A 28 -23.972 77.098 20.827 1.00 0.00 N ATOM 441 CA MET A 28 -24.633 75.933 21.487 1.00 0.00 C ATOM 442 C MET A 28 -25.918 76.444 22.180 1.00 0.00 C ATOM 443 O MET A 28 -26.747 77.040 21.514 1.00 0.00 O ATOM 444 CB MET A 28 -23.637 75.235 22.462 1.00 0.00 C ATOM 445 CG MET A 28 -22.171 75.379 21.976 1.00 0.00 C ATOM 446 SD MET A 28 -21.973 74.957 20.206 1.00 0.00 S ATOM 447 CE MET A 28 -22.948 73.431 20.132 1.00 0.00 C ATOM 0 H MET A 28 -23.204 77.513 21.354 1.00 0.00 H new ATOM 0 HA MET A 28 -24.921 75.172 20.762 1.00 0.00 H new ATOM 0 HB2 MET A 28 -23.736 75.669 23.457 1.00 0.00 H new ATOM 0 HB3 MET A 28 -23.891 74.178 22.548 1.00 0.00 H new ATOM 0 HG2 MET A 28 -21.836 76.403 22.141 1.00 0.00 H new ATOM 0 HG3 MET A 28 -21.528 74.733 22.574 1.00 0.00 H new ATOM 0 HE1 MET A 28 -23.535 73.419 19.214 1.00 0.00 H new ATOM 0 HE2 MET A 28 -22.279 72.571 20.146 1.00 0.00 H new ATOM 0 HE3 MET A 28 -23.617 73.385 20.991 1.00 0.00 H new ATOM 457 N ASN A 29 -26.141 76.220 23.468 1.00 0.00 N ATOM 458 CA ASN A 29 -27.423 76.711 24.073 1.00 0.00 C ATOM 459 C ASN A 29 -27.260 77.225 25.517 1.00 0.00 C ATOM 460 O ASN A 29 -28.211 77.199 26.276 1.00 0.00 O ATOM 461 CB ASN A 29 -28.404 75.550 24.076 1.00 0.00 C ATOM 462 CG ASN A 29 -29.181 75.527 22.758 1.00 0.00 C ATOM 463 OD1 ASN A 29 -28.685 75.053 21.755 1.00 0.00 O ATOM 464 ND2 ASN A 29 -30.387 76.023 22.717 1.00 0.00 N ATOM 0 H ASN A 29 -25.508 75.733 24.103 1.00 0.00 H new ATOM 0 HA ASN A 29 -27.773 77.554 23.477 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -27.869 74.610 24.210 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -29.094 75.647 24.914 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -30.913 76.013 21.843 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -30.804 76.421 23.559 1.00 0.00 H new ATOM 471 N ILE A 30 -26.096 77.697 25.914 1.00 0.00 N ATOM 472 CA ILE A 30 -25.944 78.203 27.326 1.00 0.00 C ATOM 473 C ILE A 30 -24.783 79.203 27.429 1.00 0.00 C ATOM 474 O ILE A 30 -24.141 79.528 26.453 1.00 0.00 O ATOM 475 CB ILE A 30 -25.663 77.033 28.280 1.00 0.00 C ATOM 476 CG1 ILE A 30 -24.428 76.241 27.786 1.00 0.00 C ATOM 477 CG2 ILE A 30 -26.898 76.128 28.401 1.00 0.00 C ATOM 478 CD1 ILE A 30 -24.758 75.310 26.605 1.00 0.00 C ATOM 0 H ILE A 30 -25.258 77.754 25.335 1.00 0.00 H new ATOM 0 HA ILE A 30 -26.875 78.699 27.602 1.00 0.00 H new ATOM 0 HB ILE A 30 -25.445 77.424 29.274 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -23.648 76.941 27.486 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -24.026 75.650 28.609 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -26.680 75.304 29.081 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -27.737 76.707 28.789 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -27.155 75.730 27.419 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -23.857 74.779 26.298 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -25.518 74.590 26.910 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -25.133 75.901 25.770 1.00 0.00 H new ATOM 490 N ALA A 31 -24.507 79.678 28.627 1.00 0.00 N ATOM 491 CA ALA A 31 -23.377 80.640 28.836 1.00 0.00 C ATOM 492 C ALA A 31 -22.105 79.822 29.078 1.00 0.00 C ATOM 493 O ALA A 31 -22.187 78.709 29.532 1.00 0.00 O ATOM 494 CB ALA A 31 -23.671 81.516 30.056 1.00 0.00 C ATOM 0 H ALA A 31 -25.023 79.436 29.473 1.00 0.00 H new ATOM 0 HA ALA A 31 -23.254 81.284 27.965 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -22.849 82.216 30.208 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -24.594 82.071 29.891 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.779 80.886 30.939 1.00 0.00 H new ATOM 500 N ARG A 32 -20.941 80.342 28.756 1.00 0.00 N ATOM 501 CA ARG A 32 -19.687 79.554 28.934 1.00 0.00 C ATOM 502 C ARG A 32 -19.413 79.228 30.405 1.00 0.00 C ATOM 503 O ARG A 32 -18.972 78.139 30.722 1.00 0.00 O ATOM 504 CB ARG A 32 -18.519 80.350 28.351 1.00 0.00 C ATOM 505 CG ARG A 32 -18.397 81.700 29.067 1.00 0.00 C ATOM 506 CD ARG A 32 -17.421 81.580 30.241 1.00 0.00 C ATOM 507 NE ARG A 32 -16.099 82.158 29.850 1.00 0.00 N ATOM 508 CZ ARG A 32 -15.178 82.440 30.751 1.00 0.00 C ATOM 509 NH1 ARG A 32 -15.381 82.230 32.031 1.00 0.00 N ATOM 510 NH2 ARG A 32 -14.038 82.942 30.360 1.00 0.00 N ATOM 0 H ARG A 32 -20.811 81.280 28.377 1.00 0.00 H new ATOM 0 HA ARG A 32 -19.803 78.604 28.412 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -17.593 79.786 28.460 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.672 80.508 27.283 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -18.049 82.462 28.369 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -19.375 82.021 29.427 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.816 82.104 31.111 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.303 80.534 30.525 1.00 0.00 H new ATOM 0 HE ARG A 32 -15.905 82.338 28.865 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.268 81.840 32.349 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.652 82.457 32.707 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.869 83.111 29.369 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.317 83.165 31.046 1.00 0.00 H new ATOM 524 N SER A 33 -19.654 80.148 31.302 1.00 0.00 N ATOM 525 CA SER A 33 -19.384 79.864 32.749 1.00 0.00 C ATOM 526 C SER A 33 -20.267 78.694 33.204 1.00 0.00 C ATOM 527 O SER A 33 -19.819 77.774 33.870 1.00 0.00 O ATOM 528 CB SER A 33 -19.702 81.104 33.585 1.00 0.00 C ATOM 529 OG SER A 33 -18.958 81.057 34.795 1.00 0.00 O ATOM 0 H SER A 33 -20.023 81.077 31.101 1.00 0.00 H new ATOM 0 HA SER A 33 -18.334 79.604 32.882 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.454 82.007 33.027 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.769 81.147 33.802 1.00 0.00 H new ATOM 0 HG SER A 33 -19.158 81.851 35.333 1.00 0.00 H new ATOM 535 N THR A 34 -21.516 78.720 32.824 1.00 0.00 N ATOM 536 CA THR A 34 -22.451 77.617 33.192 1.00 0.00 C ATOM 537 C THR A 34 -21.949 76.320 32.556 1.00 0.00 C ATOM 538 O THR A 34 -22.051 75.236 33.119 1.00 0.00 O ATOM 539 CB THR A 34 -23.835 77.949 32.630 1.00 0.00 C ATOM 540 OG1 THR A 34 -24.258 79.208 33.137 1.00 0.00 O ATOM 541 CG2 THR A 34 -24.839 76.868 33.037 1.00 0.00 C ATOM 0 H THR A 34 -21.933 79.467 32.268 1.00 0.00 H new ATOM 0 HA THR A 34 -22.504 77.503 34.275 1.00 0.00 H new ATOM 0 HB THR A 34 -23.781 77.990 31.542 1.00 0.00 H new ATOM 0 HG1 THR A 34 -25.144 79.425 32.778 1.00 0.00 H new ATOM 0 HG21 THR A 34 -25.821 77.113 32.633 1.00 0.00 H new ATOM 0 HG22 THR A 34 -24.515 75.904 32.645 1.00 0.00 H new ATOM 0 HG23 THR A 34 -24.897 76.816 34.124 1.00 0.00 H new ATOM 549 N VAL A 35 -21.399 76.437 31.379 1.00 0.00 N ATOM 550 CA VAL A 35 -20.876 75.247 30.672 1.00 0.00 C ATOM 551 C VAL A 35 -19.724 74.661 31.477 1.00 0.00 C ATOM 552 O VAL A 35 -19.506 73.478 31.446 1.00 0.00 O ATOM 553 CB VAL A 35 -20.390 75.649 29.276 1.00 0.00 C ATOM 554 CG1 VAL A 35 -19.942 74.409 28.510 1.00 0.00 C ATOM 555 CG2 VAL A 35 -21.525 76.327 28.506 1.00 0.00 C ATOM 0 H VAL A 35 -21.291 77.318 30.876 1.00 0.00 H new ATOM 0 HA VAL A 35 -21.664 74.501 30.568 1.00 0.00 H new ATOM 0 HB VAL A 35 -19.554 76.340 29.379 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -19.597 74.699 27.518 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -19.129 73.922 29.049 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -20.779 73.718 28.415 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -21.173 76.611 27.514 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -22.363 75.636 28.410 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -21.849 77.218 29.044 1.00 0.00 H new ATOM 565 N TYR A 36 -18.992 75.479 32.201 1.00 0.00 N ATOM 566 CA TYR A 36 -17.855 74.939 33.015 1.00 0.00 C ATOM 567 C TYR A 36 -18.376 74.249 34.257 1.00 0.00 C ATOM 568 O TYR A 36 -17.714 73.390 34.804 1.00 0.00 O ATOM 569 CB TYR A 36 -16.838 76.034 33.357 1.00 0.00 C ATOM 570 CG TYR A 36 -15.920 76.248 32.166 1.00 0.00 C ATOM 571 CD1 TYR A 36 -15.394 75.153 31.449 1.00 0.00 C ATOM 572 CD2 TYR A 36 -15.619 77.546 31.764 1.00 0.00 C ATOM 573 CE1 TYR A 36 -14.575 75.358 30.344 1.00 0.00 C ATOM 574 CE2 TYR A 36 -14.793 77.762 30.658 1.00 0.00 C ATOM 575 CZ TYR A 36 -14.267 76.670 29.944 1.00 0.00 C ATOM 576 OH TYR A 36 -13.445 76.891 28.858 1.00 0.00 O ATOM 0 H TYR A 36 -19.132 76.488 32.263 1.00 0.00 H new ATOM 0 HA TYR A 36 -17.328 74.197 32.415 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -17.353 76.962 33.606 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -16.257 75.747 34.233 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -15.629 74.146 31.761 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -16.024 78.387 32.307 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -14.178 74.515 29.797 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -14.558 78.770 30.350 1.00 0.00 H new ATOM 0 HH TYR A 36 -13.457 76.105 28.273 1.00 0.00 H new ATOM 586 N LYS A 37 -19.578 74.543 34.670 1.00 0.00 N ATOM 587 CA LYS A 37 -20.153 73.809 35.822 1.00 0.00 C ATOM 588 C LYS A 37 -20.267 72.338 35.393 1.00 0.00 C ATOM 589 O LYS A 37 -20.054 71.417 36.158 1.00 0.00 O ATOM 590 CB LYS A 37 -21.545 74.365 36.117 1.00 0.00 C ATOM 591 CG LYS A 37 -21.468 75.877 36.368 1.00 0.00 C ATOM 592 CD LYS A 37 -20.522 76.161 37.536 1.00 0.00 C ATOM 593 CE LYS A 37 -20.480 77.666 37.808 1.00 0.00 C ATOM 594 NZ LYS A 37 -19.726 77.923 39.068 1.00 0.00 N ATOM 0 H LYS A 37 -20.181 75.256 34.260 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.535 73.910 36.714 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -22.211 74.161 35.279 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -21.967 73.865 36.989 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -21.116 76.386 35.471 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -22.461 76.269 36.588 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.858 75.630 38.426 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.522 75.795 37.304 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.004 78.184 36.975 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -21.493 78.060 37.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.697 78.946 39.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.198 77.441 39.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.756 77.561 38.972 1.00 0.00 H new ATOM 608 N VAL A 38 -20.610 72.149 34.145 1.00 0.00 N ATOM 609 CA VAL A 38 -20.768 70.789 33.558 1.00 0.00 C ATOM 610 C VAL A 38 -19.389 70.144 33.225 1.00 0.00 C ATOM 611 O VAL A 38 -19.102 69.030 33.618 1.00 0.00 O ATOM 612 CB VAL A 38 -21.628 70.976 32.282 1.00 0.00 C ATOM 613 CG1 VAL A 38 -21.332 69.927 31.196 1.00 0.00 C ATOM 614 CG2 VAL A 38 -23.099 70.899 32.673 1.00 0.00 C ATOM 0 H VAL A 38 -20.792 72.909 33.489 1.00 0.00 H new ATOM 0 HA VAL A 38 -21.246 70.109 34.263 1.00 0.00 H new ATOM 0 HB VAL A 38 -21.380 71.948 31.856 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -21.966 70.112 30.329 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -20.285 69.994 30.901 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -21.535 68.930 31.588 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -23.719 71.029 31.786 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -23.306 69.927 33.121 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -23.326 71.686 33.392 1.00 0.00 H new ATOM 624 N ILE A 39 -18.574 70.827 32.466 1.00 0.00 N ATOM 625 CA ILE A 39 -17.239 70.285 32.034 1.00 0.00 C ATOM 626 C ILE A 39 -16.428 69.872 33.257 1.00 0.00 C ATOM 627 O ILE A 39 -15.675 68.917 33.229 1.00 0.00 O ATOM 628 CB ILE A 39 -16.505 71.365 31.230 1.00 0.00 C ATOM 629 CG1 ILE A 39 -17.398 71.852 30.100 1.00 0.00 C ATOM 630 CG2 ILE A 39 -15.217 70.842 30.596 1.00 0.00 C ATOM 631 CD1 ILE A 39 -17.178 73.327 29.924 1.00 0.00 C ATOM 0 H ILE A 39 -18.778 71.763 32.115 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.376 69.404 31.407 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.259 72.165 31.928 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.165 71.321 29.177 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -18.444 71.649 30.329 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.734 71.644 30.038 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.544 70.488 31.377 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.452 70.020 29.920 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -17.811 73.695 29.117 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -17.431 73.846 30.849 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.132 73.512 29.679 1.00 0.00 H new ATOM 643 N ASN A 40 -16.607 70.577 34.333 1.00 0.00 N ATOM 644 CA ASN A 40 -15.891 70.240 35.591 1.00 0.00 C ATOM 645 C ASN A 40 -16.537 68.995 36.194 1.00 0.00 C ATOM 646 O ASN A 40 -15.867 68.122 36.711 1.00 0.00 O ATOM 647 CB ASN A 40 -16.036 71.399 36.574 1.00 0.00 C ATOM 648 CG ASN A 40 -15.360 72.648 36.003 1.00 0.00 C ATOM 649 OD1 ASN A 40 -14.482 72.552 35.168 1.00 0.00 O ATOM 650 ND2 ASN A 40 -15.734 73.826 36.422 1.00 0.00 N ATOM 0 H ASN A 40 -17.227 71.384 34.396 1.00 0.00 H new ATOM 0 HA ASN A 40 -14.835 70.060 35.388 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -17.091 71.599 36.762 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -15.586 71.135 37.531 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -15.290 74.665 36.049 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -16.471 73.908 37.123 1.00 0.00 H new ATOM 657 N GLU A 41 -17.842 68.918 36.127 1.00 0.00 N ATOM 658 CA GLU A 41 -18.559 67.740 36.692 1.00 0.00 C ATOM 659 C GLU A 41 -18.880 66.740 35.576 1.00 0.00 C ATOM 660 O GLU A 41 -19.794 65.945 35.693 1.00 0.00 O ATOM 661 CB GLU A 41 -19.859 68.215 37.338 1.00 0.00 C ATOM 662 CG GLU A 41 -19.536 69.205 38.457 1.00 0.00 C ATOM 663 CD GLU A 41 -20.832 69.821 38.986 1.00 0.00 C ATOM 664 OE1 GLU A 41 -21.351 70.713 38.334 1.00 0.00 O ATOM 665 OE2 GLU A 41 -21.285 69.391 40.034 1.00 0.00 O ATOM 0 H GLU A 41 -18.442 69.625 35.703 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.929 67.252 37.436 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -20.497 68.688 36.592 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -20.412 67.365 37.738 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.007 68.698 39.264 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -18.875 69.988 38.085 1.00 0.00 H new ATOM 672 N SER A 42 -18.136 66.773 34.497 1.00 0.00 N ATOM 673 CA SER A 42 -18.397 65.825 33.374 1.00 0.00 C ATOM 674 C SER A 42 -17.085 65.521 32.647 1.00 0.00 C ATOM 675 O SER A 42 -16.730 66.183 31.690 1.00 0.00 O ATOM 676 CB SER A 42 -19.388 66.453 32.394 1.00 0.00 C ATOM 677 OG SER A 42 -20.640 66.634 33.043 1.00 0.00 O ATOM 0 H SER A 42 -17.359 67.417 34.347 1.00 0.00 H new ATOM 0 HA SER A 42 -18.816 64.900 33.771 1.00 0.00 H new ATOM 0 HB2 SER A 42 -19.008 67.411 32.038 1.00 0.00 H new ATOM 0 HB3 SER A 42 -19.508 65.813 31.520 1.00 0.00 H new ATOM 0 HG SER A 42 -20.642 67.492 33.516 1.00 0.00 H new ATOM 683 N ASN A 43 -16.366 64.525 33.096 1.00 0.00 N ATOM 684 CA ASN A 43 -15.075 64.169 32.437 1.00 0.00 C ATOM 685 C ASN A 43 -15.356 63.399 31.145 1.00 0.00 C ATOM 686 O ASN A 43 -16.458 62.894 31.009 1.00 0.00 O ATOM 687 CB ASN A 43 -14.243 63.297 33.381 1.00 0.00 C ATOM 688 CG ASN A 43 -15.074 62.094 33.831 1.00 0.00 C ATOM 689 OD1 ASN A 43 -15.554 62.056 34.946 1.00 0.00 O ATOM 690 ND2 ASN A 43 -15.266 61.103 33.004 1.00 0.00 N ATOM 691 OXT ASN A 43 -14.465 63.328 30.315 1.00 0.00 O ATOM 0 H ASN A 43 -16.619 63.941 33.893 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.524 65.080 32.204 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.338 62.959 32.877 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.928 63.879 34.247 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.819 60.297 33.294 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.863 61.135 32.068 1.00 0.00 H new TER 698 ASN A 43