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 14 MET CE :methyl 141:sc= -2.5 (180deg=0) USER MOD Set 1.2: A 27 THR OG1 : rot 170:sc=-0.00399 USER MOD Set 1.3: A 28 MET CE :methyl 173:sc= -11.3! (180deg=-8.17!) 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= -1.4 K(o=-1.4,f=-0.35) USER MOD Single : A 16 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.42) USER MOD Single : A 17 GLN : amide:sc= -0.931 K(o=-0.93,f=-2.1!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 23 HIS : no HD1:sc= -7.19! C(o=-7.2!,f=-4.2!) USER MOD Single : A 25 SER OG : rot -103:sc= 0.85 USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= -2.09 (180deg=-2.45) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0672 USER MOD Single : A 34 THR OG1 : rot 176:sc= -1.3 USER MOD Single : A 36 TYR OH : rot 7:sc= -0.272 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.45!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.537 56.926 26.497 1.00 0.00 N ATOM 2 CA GLY A 1 -14.371 56.466 27.905 1.00 0.00 C ATOM 3 C GLY A 1 -15.674 56.691 28.673 1.00 0.00 C ATOM 4 O GLY A 1 -16.217 55.780 29.269 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.651 56.773 25.975 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.303 56.388 26.044 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.773 57.939 26.488 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.103 55.410 27.924 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.556 57.010 28.383 1.00 0.00 H new ATOM 10 N ARG A 2 -16.177 57.900 28.663 1.00 0.00 N ATOM 11 CA ARG A 2 -17.446 58.196 29.391 1.00 0.00 C ATOM 12 C ARG A 2 -18.602 57.441 28.731 1.00 0.00 C ATOM 13 O ARG A 2 -18.725 57.413 27.520 1.00 0.00 O ATOM 14 CB ARG A 2 -17.722 59.700 29.340 1.00 0.00 C ATOM 15 CG ARG A 2 -17.081 60.378 30.553 1.00 0.00 C ATOM 16 CD ARG A 2 -15.673 60.852 30.188 1.00 0.00 C ATOM 17 NE ARG A 2 -15.329 62.064 30.995 1.00 0.00 N ATOM 18 CZ ARG A 2 -14.089 62.501 31.083 1.00 0.00 C ATOM 19 NH1 ARG A 2 -13.099 61.894 30.469 1.00 0.00 N ATOM 20 NH2 ARG A 2 -13.837 63.563 31.799 1.00 0.00 N ATOM 0 H ARG A 2 -15.761 58.696 28.180 1.00 0.00 H new ATOM 0 HA ARG A 2 -17.353 57.878 30.429 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -17.321 60.123 28.419 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -18.796 59.883 29.333 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -17.689 61.224 30.874 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -17.036 59.682 31.391 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -14.950 60.059 30.378 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.620 61.083 29.124 1.00 0.00 H new ATOM 0 HE ARG A 2 -16.070 62.563 31.488 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.281 61.063 29.907 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.149 62.254 30.554 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.596 64.044 32.282 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.881 63.912 31.875 1.00 0.00 H new ATOM 34 N LYS A 3 -19.449 56.830 29.520 1.00 0.00 N ATOM 35 CA LYS A 3 -20.603 56.074 28.950 1.00 0.00 C ATOM 36 C LYS A 3 -21.849 56.962 28.966 1.00 0.00 C ATOM 37 O LYS A 3 -22.539 57.058 29.964 1.00 0.00 O ATOM 38 CB LYS A 3 -20.858 54.823 29.794 1.00 0.00 C ATOM 39 CG LYS A 3 -20.009 53.666 29.265 1.00 0.00 C ATOM 40 CD LYS A 3 -18.692 53.601 30.042 1.00 0.00 C ATOM 41 CE LYS A 3 -18.871 52.715 31.276 1.00 0.00 C ATOM 42 NZ LYS A 3 -17.583 52.032 31.588 1.00 0.00 N ATOM 0 H LYS A 3 -19.390 56.823 30.538 1.00 0.00 H new ATOM 0 HA LYS A 3 -20.377 55.781 27.925 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.613 55.020 30.838 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.915 54.558 29.759 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.551 52.726 29.369 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.810 53.804 28.202 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.902 53.202 29.406 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.385 54.603 30.342 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.191 53.317 32.126 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.652 51.977 31.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.704 51.429 32.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.296 51.445 30.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.849 52.744 31.776 1.00 0.00 H new ATOM 56 N ARG A 4 -22.139 57.613 27.868 1.00 0.00 N ATOM 57 CA ARG A 4 -23.338 58.500 27.812 1.00 0.00 C ATOM 58 C ARG A 4 -24.424 57.840 26.956 1.00 0.00 C ATOM 59 O ARG A 4 -24.704 58.263 25.849 1.00 0.00 O ATOM 60 CB ARG A 4 -22.942 59.850 27.205 1.00 0.00 C ATOM 61 CG ARG A 4 -23.722 60.971 27.896 1.00 0.00 C ATOM 62 CD ARG A 4 -22.987 61.405 29.169 1.00 0.00 C ATOM 63 NE ARG A 4 -23.972 61.591 30.291 1.00 0.00 N ATOM 64 CZ ARG A 4 -25.035 62.360 30.174 1.00 0.00 C ATOM 65 NH1 ARG A 4 -25.187 63.168 29.151 1.00 0.00 N ATOM 66 NH2 ARG A 4 -25.925 62.366 31.129 1.00 0.00 N ATOM 0 H ARG A 4 -21.595 57.568 27.006 1.00 0.00 H new ATOM 0 HA ARG A 4 -23.725 58.658 28.819 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -21.871 60.013 27.322 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -23.150 59.854 26.135 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -23.832 61.820 27.221 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -24.727 60.628 28.144 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -22.246 60.655 29.445 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -22.448 62.335 28.989 1.00 0.00 H new ATOM 0 HE ARG A 4 -23.811 61.105 31.173 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -24.473 63.210 28.424 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -26.019 63.754 29.083 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -25.793 61.780 31.953 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -26.753 62.957 31.051 1.00 0.00 H new ATOM 80 N LYS A 5 -25.039 56.801 27.464 1.00 0.00 N ATOM 81 CA LYS A 5 -26.108 56.100 26.698 1.00 0.00 C ATOM 82 C LYS A 5 -27.259 57.071 26.396 1.00 0.00 C ATOM 83 O LYS A 5 -27.974 56.914 25.425 1.00 0.00 O ATOM 84 CB LYS A 5 -26.620 54.922 27.532 1.00 0.00 C ATOM 85 CG LYS A 5 -27.197 55.430 28.859 1.00 0.00 C ATOM 86 CD LYS A 5 -27.652 54.241 29.708 1.00 0.00 C ATOM 87 CE LYS A 5 -27.828 54.690 31.160 1.00 0.00 C ATOM 88 NZ LYS A 5 -29.208 55.219 31.352 1.00 0.00 N ATOM 0 H LYS A 5 -24.843 56.407 28.384 1.00 0.00 H new ATOM 0 HA LYS A 5 -25.706 55.734 25.753 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -27.385 54.379 26.978 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -25.807 54.221 27.724 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -26.445 56.008 29.397 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -28.037 56.098 28.670 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -28.591 53.843 29.323 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -26.918 53.437 29.651 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -27.651 53.853 31.835 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -27.095 55.458 31.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -29.329 55.524 32.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -29.361 56.029 30.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -29.899 54.473 31.134 1.00 0.00 H new ATOM 102 N ILE A 6 -27.440 58.068 27.227 1.00 0.00 N ATOM 103 CA ILE A 6 -28.542 59.051 27.002 1.00 0.00 C ATOM 104 C ILE A 6 -28.328 59.765 25.664 1.00 0.00 C ATOM 105 O ILE A 6 -27.262 59.711 25.081 1.00 0.00 O ATOM 106 CB ILE A 6 -28.552 60.068 28.152 1.00 0.00 C ATOM 107 CG1 ILE A 6 -28.811 59.313 29.463 1.00 0.00 C ATOM 108 CG2 ILE A 6 -29.655 61.121 27.923 1.00 0.00 C ATOM 109 CD1 ILE A 6 -28.895 60.301 30.624 1.00 0.00 C ATOM 0 H ILE A 6 -26.869 58.243 28.054 1.00 0.00 H new ATOM 0 HA ILE A 6 -29.501 58.533 26.973 1.00 0.00 H new ATOM 0 HB ILE A 6 -27.593 60.583 28.199 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -29.739 58.746 29.389 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -28.012 58.594 29.643 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -29.652 61.836 28.745 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -29.469 61.645 26.986 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -30.625 60.627 27.876 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -29.079 59.758 31.551 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -27.956 60.849 30.704 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -29.710 61.003 30.446 1.00 0.00 H new ATOM 121 N ASP A 7 -29.343 60.431 25.184 1.00 0.00 N ATOM 122 CA ASP A 7 -29.226 61.157 23.885 1.00 0.00 C ATOM 123 C ASP A 7 -28.641 62.550 24.127 1.00 0.00 C ATOM 124 O ASP A 7 -29.332 63.456 24.551 1.00 0.00 O ATOM 125 CB ASP A 7 -30.609 61.290 23.247 1.00 0.00 C ATOM 126 CG ASP A 7 -30.472 61.261 21.723 1.00 0.00 C ATOM 127 OD1 ASP A 7 -29.833 60.349 21.224 1.00 0.00 O ATOM 128 OD2 ASP A 7 -31.008 62.150 21.083 1.00 0.00 O ATOM 0 H ASP A 7 -30.254 60.504 25.638 1.00 0.00 H new ATOM 0 HA ASP A 7 -28.570 60.599 23.217 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -31.255 60.478 23.580 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -31.079 62.221 23.563 1.00 0.00 H new ATOM 133 N ARG A 8 -27.374 62.723 23.851 1.00 0.00 N ATOM 134 CA ARG A 8 -26.729 64.045 24.050 1.00 0.00 C ATOM 135 C ARG A 8 -25.446 64.109 23.217 1.00 0.00 C ATOM 136 O ARG A 8 -24.412 64.553 23.680 1.00 0.00 O ATOM 137 CB ARG A 8 -26.398 64.240 25.531 1.00 0.00 C ATOM 138 CG ARG A 8 -27.637 64.756 26.267 1.00 0.00 C ATOM 139 CD ARG A 8 -27.212 65.515 27.529 1.00 0.00 C ATOM 140 NE ARG A 8 -28.108 65.135 28.676 1.00 0.00 N ATOM 141 CZ ARG A 8 -29.421 65.222 28.602 1.00 0.00 C ATOM 142 NH1 ARG A 8 -30.011 65.833 27.603 1.00 0.00 N ATOM 143 NH2 ARG A 8 -30.149 64.745 29.575 1.00 0.00 N ATOM 0 H ARG A 8 -26.757 61.994 23.493 1.00 0.00 H new ATOM 0 HA ARG A 8 -27.408 64.836 23.732 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -26.068 63.297 25.968 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -25.576 64.947 25.641 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -28.213 65.412 25.614 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -28.286 63.922 26.534 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.175 65.283 27.773 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -27.265 66.590 27.354 1.00 0.00 H new ATOM 0 HE ARG A 8 -27.685 64.798 29.541 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -29.452 66.254 26.861 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -31.029 65.887 27.568 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -29.701 64.311 30.382 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -31.166 64.807 29.529 1.00 0.00 H new ATOM 157 N ASP A 9 -25.512 63.663 21.988 1.00 0.00 N ATOM 158 CA ASP A 9 -24.307 63.687 21.108 1.00 0.00 C ATOM 159 C ASP A 9 -23.977 65.131 20.711 1.00 0.00 C ATOM 160 O ASP A 9 -22.853 65.441 20.366 1.00 0.00 O ATOM 161 CB ASP A 9 -24.586 62.866 19.847 1.00 0.00 C ATOM 162 CG ASP A 9 -23.267 62.554 19.136 1.00 0.00 C ATOM 163 OD1 ASP A 9 -22.433 61.899 19.739 1.00 0.00 O ATOM 164 OD2 ASP A 9 -23.115 62.974 18.002 1.00 0.00 O ATOM 0 H ASP A 9 -26.353 63.282 21.555 1.00 0.00 H new ATOM 0 HA ASP A 9 -23.460 63.262 21.647 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -25.097 61.940 20.109 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -25.249 63.418 19.180 1.00 0.00 H new ATOM 169 N ALA A 10 -24.947 66.013 20.751 1.00 0.00 N ATOM 170 CA ALA A 10 -24.691 67.434 20.372 1.00 0.00 C ATOM 171 C ALA A 10 -23.666 68.048 21.330 1.00 0.00 C ATOM 172 O ALA A 10 -22.645 68.556 20.914 1.00 0.00 O ATOM 173 CB ALA A 10 -26.000 68.223 20.445 1.00 0.00 C ATOM 0 H ALA A 10 -25.906 65.807 21.031 1.00 0.00 H new ATOM 0 HA ALA A 10 -24.299 67.473 19.356 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -25.815 69.261 20.169 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -26.726 67.788 19.758 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.393 68.183 21.461 1.00 0.00 H new ATOM 179 N VAL A 11 -23.936 68.005 22.610 1.00 0.00 N ATOM 180 CA VAL A 11 -22.985 68.587 23.605 1.00 0.00 C ATOM 181 C VAL A 11 -21.691 67.762 23.612 1.00 0.00 C ATOM 182 O VAL A 11 -20.594 68.298 23.658 1.00 0.00 O ATOM 183 CB VAL A 11 -23.628 68.553 24.997 1.00 0.00 C ATOM 184 CG1 VAL A 11 -22.716 69.251 26.008 1.00 0.00 C ATOM 185 CG2 VAL A 11 -24.980 69.274 24.957 1.00 0.00 C ATOM 0 H VAL A 11 -24.778 67.590 23.010 1.00 0.00 H new ATOM 0 HA VAL A 11 -22.754 69.618 23.337 1.00 0.00 H new ATOM 0 HB VAL A 11 -23.774 67.515 25.296 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -23.178 69.223 26.995 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -21.754 68.740 26.044 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -22.565 70.288 25.707 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -25.435 69.249 25.947 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -24.831 70.310 24.652 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -25.637 68.777 24.243 1.00 0.00 H new ATOM 195 N LEU A 12 -21.816 66.459 23.561 1.00 0.00 N ATOM 196 CA LEU A 12 -20.610 65.575 23.563 1.00 0.00 C ATOM 197 C LEU A 12 -19.699 65.930 22.381 1.00 0.00 C ATOM 198 O LEU A 12 -18.505 65.717 22.427 1.00 0.00 O ATOM 199 CB LEU A 12 -21.060 64.110 23.450 1.00 0.00 C ATOM 200 CG LEU A 12 -20.441 63.284 24.581 1.00 0.00 C ATOM 201 CD1 LEU A 12 -21.415 63.217 25.759 1.00 0.00 C ATOM 202 CD2 LEU A 12 -20.153 61.867 24.079 1.00 0.00 C ATOM 0 H LEU A 12 -22.708 65.967 23.518 1.00 0.00 H new ATOM 0 HA LEU A 12 -20.056 65.718 24.490 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -22.147 64.050 23.498 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -20.760 63.702 22.485 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.512 63.753 24.904 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.973 62.629 26.563 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -21.622 64.225 26.118 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -22.345 62.749 25.436 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.712 61.278 24.884 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.083 61.400 23.755 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.458 61.912 23.240 1.00 0.00 H new ATOM 214 N ASN A 13 -20.254 66.468 21.327 1.00 0.00 N ATOM 215 CA ASN A 13 -19.422 66.836 20.145 1.00 0.00 C ATOM 216 C ASN A 13 -18.861 68.246 20.339 1.00 0.00 C ATOM 217 O ASN A 13 -17.778 68.561 19.885 1.00 0.00 O ATOM 218 CB ASN A 13 -20.287 66.796 18.882 1.00 0.00 C ATOM 219 CG ASN A 13 -19.416 67.058 17.651 1.00 0.00 C ATOM 220 OD1 ASN A 13 -19.605 68.037 16.956 1.00 0.00 O ATOM 221 ND2 ASN A 13 -18.464 66.219 17.350 1.00 0.00 N ATOM 0 H ASN A 13 -21.250 66.669 21.234 1.00 0.00 H new ATOM 0 HA ASN A 13 -18.599 66.129 20.042 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.775 65.825 18.794 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.077 67.545 18.947 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.878 66.385 16.532 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.305 65.397 17.933 1.00 0.00 H new ATOM 228 N MET A 14 -19.601 69.097 20.999 1.00 0.00 N ATOM 229 CA MET A 14 -19.140 70.492 21.218 1.00 0.00 C ATOM 230 C MET A 14 -18.184 70.579 22.426 1.00 0.00 C ATOM 231 O MET A 14 -17.769 71.653 22.815 1.00 0.00 O ATOM 232 CB MET A 14 -20.371 71.367 21.427 1.00 0.00 C ATOM 233 CG MET A 14 -20.881 71.847 20.058 1.00 0.00 C ATOM 234 SD MET A 14 -21.426 70.441 19.047 1.00 0.00 S ATOM 235 CE MET A 14 -23.137 70.971 18.807 1.00 0.00 C ATOM 0 H MET A 14 -20.514 68.879 21.398 1.00 0.00 H new ATOM 0 HA MET A 14 -18.580 70.839 20.350 1.00 0.00 H new ATOM 0 HB2 MET A 14 -21.149 70.805 21.943 1.00 0.00 H new ATOM 0 HB3 MET A 14 -20.123 72.221 22.057 1.00 0.00 H new ATOM 0 HG2 MET A 14 -21.708 72.544 20.196 1.00 0.00 H new ATOM 0 HG3 MET A 14 -20.090 72.389 19.540 1.00 0.00 H new ATOM 0 HE1 MET A 14 -23.450 70.741 17.789 1.00 0.00 H new ATOM 0 HE2 MET A 14 -23.782 70.447 19.512 1.00 0.00 H new ATOM 0 HE3 MET A 14 -23.212 72.045 18.976 1.00 0.00 H new ATOM 245 N TRP A 15 -17.828 69.458 23.015 1.00 0.00 N ATOM 246 CA TRP A 15 -16.899 69.463 24.186 1.00 0.00 C ATOM 247 C TRP A 15 -15.755 68.495 23.936 1.00 0.00 C ATOM 248 O TRP A 15 -14.595 68.786 24.158 1.00 0.00 O ATOM 249 CB TRP A 15 -17.645 68.930 25.403 1.00 0.00 C ATOM 250 CG TRP A 15 -18.223 70.036 26.160 1.00 0.00 C ATOM 251 CD1 TRP A 15 -19.515 70.138 26.437 1.00 0.00 C ATOM 252 CD2 TRP A 15 -17.566 71.176 26.748 1.00 0.00 C ATOM 253 NE1 TRP A 15 -19.720 71.301 27.148 1.00 0.00 N ATOM 254 CE2 TRP A 15 -18.532 71.986 27.357 1.00 0.00 C ATOM 255 CE3 TRP A 15 -16.238 71.585 26.798 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -18.175 73.179 27.991 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -15.881 72.767 27.438 1.00 0.00 C ATOM 258 CH2 TRP A 15 -16.851 73.565 28.028 1.00 0.00 C ATOM 0 H TRP A 15 -18.147 68.533 22.728 1.00 0.00 H new ATOM 0 HA TRP A 15 -16.532 70.478 24.339 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.432 68.245 25.086 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -16.964 68.362 26.037 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -20.279 69.429 26.153 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -20.631 71.618 27.479 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.475 70.978 26.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -18.933 73.797 28.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -14.844 73.065 27.476 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -16.570 74.487 28.515 1.00 0.00 H new ATOM 269 N GLN A 16 -16.114 67.314 23.544 1.00 0.00 N ATOM 270 CA GLN A 16 -15.126 66.235 23.339 1.00 0.00 C ATOM 271 C GLN A 16 -14.299 66.480 22.069 1.00 0.00 C ATOM 272 O GLN A 16 -13.260 65.874 21.883 1.00 0.00 O ATOM 273 CB GLN A 16 -15.895 64.913 23.244 1.00 0.00 C ATOM 274 CG GLN A 16 -16.888 64.780 24.427 1.00 0.00 C ATOM 275 CD GLN A 16 -16.300 63.849 25.492 1.00 0.00 C ATOM 276 OE1 GLN A 16 -17.012 63.067 26.090 1.00 0.00 O ATOM 277 NE2 GLN A 16 -15.022 63.899 25.755 1.00 0.00 N ATOM 0 H GLN A 16 -17.079 67.045 23.352 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.424 66.205 24.172 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.437 64.867 22.299 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.196 64.077 23.252 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -17.089 65.761 24.858 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.841 64.387 24.072 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.423 64.555 25.253 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.622 63.282 26.462 1.00 0.00 H new ATOM 286 N GLN A 17 -14.735 67.364 21.202 1.00 0.00 N ATOM 287 CA GLN A 17 -13.951 67.641 19.962 1.00 0.00 C ATOM 288 C GLN A 17 -12.795 68.594 20.290 1.00 0.00 C ATOM 289 O GLN A 17 -11.767 68.578 19.640 1.00 0.00 O ATOM 290 CB GLN A 17 -14.862 68.276 18.911 1.00 0.00 C ATOM 291 CG GLN A 17 -15.880 67.239 18.431 1.00 0.00 C ATOM 292 CD GLN A 17 -15.161 66.131 17.658 1.00 0.00 C ATOM 293 OE1 GLN A 17 -14.586 65.237 18.248 1.00 0.00 O ATOM 294 NE2 GLN A 17 -15.172 66.150 16.354 1.00 0.00 N ATOM 0 H GLN A 17 -15.596 67.902 21.301 1.00 0.00 H new ATOM 0 HA GLN A 17 -13.548 66.707 19.570 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -15.377 69.139 19.333 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.270 68.637 18.070 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -16.412 66.815 19.283 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -16.626 67.715 17.794 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -15.654 66.900 15.859 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -14.698 65.415 15.829 1.00 0.00 H new ATOM 303 N GLY A 18 -12.953 69.419 21.298 1.00 0.00 N ATOM 304 CA GLY A 18 -11.862 70.370 21.675 1.00 0.00 C ATOM 305 C GLY A 18 -12.376 71.809 21.585 1.00 0.00 C ATOM 306 O GLY A 18 -11.933 72.582 20.756 1.00 0.00 O ATOM 0 H GLY A 18 -13.792 69.474 21.876 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.517 70.160 22.687 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.006 70.237 21.013 1.00 0.00 H new ATOM 310 N LEU A 19 -13.314 72.170 22.425 1.00 0.00 N ATOM 311 CA LEU A 19 -13.871 73.549 22.389 1.00 0.00 C ATOM 312 C LEU A 19 -13.818 74.174 23.780 1.00 0.00 C ATOM 313 O LEU A 19 -13.230 73.625 24.693 1.00 0.00 O ATOM 314 CB LEU A 19 -15.313 73.468 21.931 1.00 0.00 C ATOM 315 CG LEU A 19 -15.377 73.003 20.478 1.00 0.00 C ATOM 316 CD1 LEU A 19 -15.579 71.484 20.435 1.00 0.00 C ATOM 317 CD2 LEU A 19 -16.547 73.704 19.771 1.00 0.00 C ATOM 0 H LEU A 19 -13.718 71.562 23.137 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.286 74.165 21.706 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.866 72.777 22.567 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.789 74.443 22.030 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.445 73.255 19.971 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.625 71.152 19.398 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.746 70.992 20.937 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.510 71.226 20.940 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.595 73.374 18.733 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -17.480 73.453 20.275 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.397 74.783 19.802 1.00 0.00 H new ATOM 329 N GLY A 20 -14.425 75.326 23.945 1.00 0.00 N ATOM 330 CA GLY A 20 -14.399 75.991 25.285 1.00 0.00 C ATOM 331 C GLY A 20 -15.603 76.926 25.481 1.00 0.00 C ATOM 332 O GLY A 20 -15.694 77.947 24.843 1.00 0.00 O ATOM 0 H GLY A 20 -14.932 75.829 23.217 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.397 75.232 26.067 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.476 76.560 25.390 1.00 0.00 H new ATOM 336 N ALA A 21 -16.497 76.559 26.392 1.00 0.00 N ATOM 337 CA ALA A 21 -17.734 77.363 26.760 1.00 0.00 C ATOM 338 C ALA A 21 -18.121 78.457 25.748 1.00 0.00 C ATOM 339 O ALA A 21 -19.086 78.314 25.040 1.00 0.00 O ATOM 340 CB ALA A 21 -17.508 78.009 28.133 1.00 0.00 C ATOM 0 H ALA A 21 -16.414 75.691 26.921 1.00 0.00 H new ATOM 0 HA ALA A 21 -18.565 76.657 26.765 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -18.388 78.590 28.411 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -17.336 77.231 28.877 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -16.639 78.666 28.088 1.00 0.00 H new ATOM 346 N SER A 22 -17.397 79.558 25.701 1.00 0.00 N ATOM 347 CA SER A 22 -17.743 80.675 24.749 1.00 0.00 C ATOM 348 C SER A 22 -17.977 80.130 23.331 1.00 0.00 C ATOM 349 O SER A 22 -19.048 80.284 22.767 1.00 0.00 O ATOM 350 CB SER A 22 -16.594 81.684 24.718 1.00 0.00 C ATOM 351 OG SER A 22 -15.363 81.000 24.914 1.00 0.00 O ATOM 0 H SER A 22 -16.578 79.732 26.283 1.00 0.00 H new ATOM 0 HA SER A 22 -18.658 81.156 25.093 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.583 82.211 23.764 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.734 82.435 25.495 1.00 0.00 H new ATOM 0 HG SER A 22 -14.624 81.644 24.893 1.00 0.00 H new ATOM 357 N HIS A 23 -16.989 79.491 22.759 1.00 0.00 N ATOM 358 CA HIS A 23 -17.155 78.921 21.391 1.00 0.00 C ATOM 359 C HIS A 23 -18.217 77.816 21.454 1.00 0.00 C ATOM 360 O HIS A 23 -19.016 77.657 20.554 1.00 0.00 O ATOM 361 CB HIS A 23 -15.815 78.338 20.917 1.00 0.00 C ATOM 362 CG HIS A 23 -15.974 77.709 19.555 1.00 0.00 C ATOM 363 ND1 HIS A 23 -15.248 78.132 18.453 1.00 0.00 N ATOM 364 CD2 HIS A 23 -16.774 76.686 19.108 1.00 0.00 C ATOM 365 CE1 HIS A 23 -15.622 77.372 17.407 1.00 0.00 C ATOM 366 NE2 HIS A 23 -16.550 76.475 17.751 1.00 0.00 N ATOM 0 H HIS A 23 -16.073 79.340 23.182 1.00 0.00 H new ATOM 0 HA HIS A 23 -17.469 79.695 20.690 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -15.062 79.125 20.877 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -15.461 77.594 21.630 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -17.471 76.130 19.717 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.220 77.475 16.410 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -16.998 75.784 17.149 1.00 0.00 H new ATOM 374 N ILE A 24 -18.224 77.063 22.523 1.00 0.00 N ATOM 375 CA ILE A 24 -19.227 75.958 22.678 1.00 0.00 C ATOM 376 C ILE A 24 -20.638 76.537 22.813 1.00 0.00 C ATOM 377 O ILE A 24 -21.614 75.834 22.691 1.00 0.00 O ATOM 378 CB ILE A 24 -18.868 75.161 23.929 1.00 0.00 C ATOM 379 CG1 ILE A 24 -17.457 74.641 23.767 1.00 0.00 C ATOM 380 CG2 ILE A 24 -19.807 73.963 24.130 1.00 0.00 C ATOM 381 CD1 ILE A 24 -17.027 74.028 25.075 1.00 0.00 C ATOM 0 H ILE A 24 -17.575 77.164 23.303 1.00 0.00 H new ATOM 0 HA ILE A 24 -19.208 75.312 21.800 1.00 0.00 H new ATOM 0 HB ILE A 24 -18.962 75.816 24.795 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -17.414 73.901 22.968 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -16.783 75.451 23.487 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -19.518 73.422 25.031 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -20.833 74.318 24.233 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -19.738 73.298 23.269 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.011 73.646 24.981 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -17.059 74.784 25.859 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -17.700 73.210 25.332 1.00 0.00 H new ATOM 393 N SER A 25 -20.749 77.811 23.057 1.00 0.00 N ATOM 394 CA SER A 25 -22.092 78.444 23.187 1.00 0.00 C ATOM 395 C SER A 25 -22.642 78.725 21.787 1.00 0.00 C ATOM 396 O SER A 25 -23.812 78.524 21.520 1.00 0.00 O ATOM 397 CB SER A 25 -21.973 79.753 23.974 1.00 0.00 C ATOM 398 OG SER A 25 -21.452 80.773 23.131 1.00 0.00 O ATOM 0 H SER A 25 -19.961 78.448 23.173 1.00 0.00 H new ATOM 0 HA SER A 25 -22.768 77.775 23.720 1.00 0.00 H new ATOM 0 HB2 SER A 25 -22.950 80.048 24.357 1.00 0.00 H new ATOM 0 HB3 SER A 25 -21.321 79.612 24.836 1.00 0.00 H new ATOM 0 HG SER A 25 -20.504 80.914 23.336 1.00 0.00 H new ATOM 404 N LYS A 26 -21.801 79.183 20.891 1.00 0.00 N ATOM 405 CA LYS A 26 -22.271 79.473 19.503 1.00 0.00 C ATOM 406 C LYS A 26 -22.675 78.161 18.825 1.00 0.00 C ATOM 407 O LYS A 26 -23.784 78.016 18.346 1.00 0.00 O ATOM 408 CB LYS A 26 -21.146 80.138 18.705 1.00 0.00 C ATOM 409 CG LYS A 26 -21.356 81.659 18.667 1.00 0.00 C ATOM 410 CD LYS A 26 -21.293 82.238 20.086 1.00 0.00 C ATOM 411 CE LYS A 26 -19.869 82.708 20.400 1.00 0.00 C ATOM 412 NZ LYS A 26 -18.890 81.631 20.074 1.00 0.00 N ATOM 0 H LYS A 26 -20.812 79.368 21.062 1.00 0.00 H new ATOM 0 HA LYS A 26 -23.128 80.146 19.541 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.182 79.907 19.158 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -21.125 79.740 17.690 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -20.593 82.123 18.043 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -22.321 81.889 18.215 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -21.988 83.072 20.178 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -21.603 81.484 20.809 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.639 83.605 19.826 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -19.790 82.975 21.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.943 81.912 20.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -19.172 80.750 20.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.871 81.479 19.045 1.00 0.00 H new ATOM 426 N THR A 27 -21.779 77.207 18.784 1.00 0.00 N ATOM 427 CA THR A 27 -22.103 75.897 18.136 1.00 0.00 C ATOM 428 C THR A 27 -23.252 75.221 18.896 1.00 0.00 C ATOM 429 O THR A 27 -24.224 74.788 18.306 1.00 0.00 O ATOM 430 CB THR A 27 -20.862 74.989 18.121 1.00 0.00 C ATOM 431 OG1 THR A 27 -21.226 73.707 17.625 1.00 0.00 O ATOM 432 CG2 THR A 27 -20.275 74.841 19.529 1.00 0.00 C ATOM 0 H THR A 27 -20.838 77.277 19.171 1.00 0.00 H new ATOM 0 HA THR A 27 -22.411 76.072 17.105 1.00 0.00 H new ATOM 0 HB THR A 27 -20.107 75.441 17.478 1.00 0.00 H new ATOM 0 HG1 THR A 27 -20.418 73.178 17.462 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.398 74.194 19.492 1.00 0.00 H new ATOM 0 HG22 THR A 27 -19.987 75.822 19.908 1.00 0.00 H new ATOM 0 HG23 THR A 27 -21.022 74.402 20.190 1.00 0.00 H new ATOM 440 N MET A 28 -23.160 75.155 20.199 1.00 0.00 N ATOM 441 CA MET A 28 -24.225 74.556 21.011 1.00 0.00 C ATOM 442 C MET A 28 -24.923 75.730 21.719 1.00 0.00 C ATOM 443 O MET A 28 -24.485 76.207 22.745 1.00 0.00 O ATOM 444 CB MET A 28 -23.572 73.562 21.998 1.00 0.00 C ATOM 445 CG MET A 28 -24.604 73.070 23.008 1.00 0.00 C ATOM 446 SD MET A 28 -25.147 71.390 22.588 1.00 0.00 S ATOM 447 CE MET A 28 -25.571 71.707 20.856 1.00 0.00 C ATOM 0 H MET A 28 -22.365 75.504 20.734 1.00 0.00 H new ATOM 0 HA MET A 28 -24.961 73.996 20.433 1.00 0.00 H new ATOM 0 HB2 MET A 28 -23.155 72.716 21.451 1.00 0.00 H new ATOM 0 HB3 MET A 28 -22.745 74.045 22.518 1.00 0.00 H new ATOM 0 HG2 MET A 28 -24.176 73.081 24.010 1.00 0.00 H new ATOM 0 HG3 MET A 28 -25.461 73.744 23.020 1.00 0.00 H new ATOM 0 HE1 MET A 28 -25.816 70.766 20.363 1.00 0.00 H new ATOM 0 HE2 MET A 28 -26.430 72.376 20.808 1.00 0.00 H new ATOM 0 HE3 MET A 28 -24.722 72.170 20.353 1.00 0.00 H new ATOM 457 N ASN A 29 -25.975 76.228 21.120 1.00 0.00 N ATOM 458 CA ASN A 29 -26.707 77.416 21.669 1.00 0.00 C ATOM 459 C ASN A 29 -27.009 77.291 23.168 1.00 0.00 C ATOM 460 O ASN A 29 -28.009 76.725 23.561 1.00 0.00 O ATOM 461 CB ASN A 29 -28.025 77.579 20.910 1.00 0.00 C ATOM 462 CG ASN A 29 -28.653 78.929 21.262 1.00 0.00 C ATOM 463 OD1 ASN A 29 -29.683 78.985 21.905 1.00 0.00 O ATOM 464 ND2 ASN A 29 -28.071 80.028 20.867 1.00 0.00 N ATOM 0 H ASN A 29 -26.367 75.855 20.255 1.00 0.00 H new ATOM 0 HA ASN A 29 -26.061 78.285 21.539 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -27.849 77.517 19.836 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -28.708 76.770 21.168 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -28.480 80.933 21.098 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -27.207 79.982 20.327 1.00 0.00 H new ATOM 471 N ILE A 30 -26.172 77.868 23.997 1.00 0.00 N ATOM 472 CA ILE A 30 -26.415 77.846 25.480 1.00 0.00 C ATOM 473 C ILE A 30 -25.395 78.758 26.171 1.00 0.00 C ATOM 474 O ILE A 30 -24.271 78.891 25.727 1.00 0.00 O ATOM 475 CB ILE A 30 -26.293 76.425 26.070 1.00 0.00 C ATOM 476 CG1 ILE A 30 -25.300 75.576 25.270 1.00 0.00 C ATOM 477 CG2 ILE A 30 -27.661 75.742 26.064 1.00 0.00 C ATOM 478 CD1 ILE A 30 -24.927 74.340 26.085 1.00 0.00 C ATOM 0 H ILE A 30 -25.324 78.357 23.710 1.00 0.00 H new ATOM 0 HA ILE A 30 -27.433 78.195 25.653 1.00 0.00 H new ATOM 0 HB ILE A 30 -25.927 76.515 27.093 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -25.741 75.279 24.318 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -24.408 76.158 25.040 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -27.569 74.739 26.481 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -28.360 76.323 26.666 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -28.030 75.676 25.041 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -24.220 73.732 25.521 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -24.470 74.648 27.025 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -25.824 73.756 26.292 1.00 0.00 H new ATOM 490 N ALA A 31 -25.776 79.379 27.267 1.00 0.00 N ATOM 491 CA ALA A 31 -24.824 80.275 28.003 1.00 0.00 C ATOM 492 C ALA A 31 -23.635 79.433 28.461 1.00 0.00 C ATOM 493 O ALA A 31 -23.758 78.241 28.584 1.00 0.00 O ATOM 494 CB ALA A 31 -25.525 80.882 29.220 1.00 0.00 C ATOM 0 H ALA A 31 -26.705 79.303 27.682 1.00 0.00 H new ATOM 0 HA ALA A 31 -24.487 81.083 27.353 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.831 81.532 29.753 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -26.387 81.463 28.891 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -25.857 80.084 29.884 1.00 0.00 H new ATOM 500 N ARG A 32 -22.487 80.024 28.688 1.00 0.00 N ATOM 501 CA ARG A 32 -21.303 79.213 29.101 1.00 0.00 C ATOM 502 C ARG A 32 -21.531 78.552 30.466 1.00 0.00 C ATOM 503 O ARG A 32 -21.087 77.441 30.699 1.00 0.00 O ATOM 504 CB ARG A 32 -20.055 80.105 29.129 1.00 0.00 C ATOM 505 CG ARG A 32 -20.195 81.213 30.180 1.00 0.00 C ATOM 506 CD ARG A 32 -18.805 81.750 30.543 1.00 0.00 C ATOM 507 NE ARG A 32 -18.719 81.982 32.027 1.00 0.00 N ATOM 508 CZ ARG A 32 -19.598 82.715 32.678 1.00 0.00 C ATOM 509 NH1 ARG A 32 -20.476 83.456 32.045 1.00 0.00 N ATOM 510 NH2 ARG A 32 -19.554 82.755 33.982 1.00 0.00 N ATOM 0 H ARG A 32 -22.321 81.027 28.605 1.00 0.00 H new ATOM 0 HA ARG A 32 -21.156 78.415 28.374 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -19.176 79.499 29.349 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -19.899 80.549 28.146 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -20.819 82.019 29.794 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -20.691 80.825 31.070 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.038 81.040 30.232 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.614 82.681 30.009 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.952 81.556 32.548 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.488 83.473 31.025 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.147 84.015 32.573 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.844 82.222 34.485 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.229 83.319 34.498 1.00 0.00 H new ATOM 524 N SER A 33 -22.219 79.208 31.365 1.00 0.00 N ATOM 525 CA SER A 33 -22.466 78.593 32.703 1.00 0.00 C ATOM 526 C SER A 33 -23.542 77.520 32.552 1.00 0.00 C ATOM 527 O SER A 33 -23.493 76.474 33.174 1.00 0.00 O ATOM 528 CB SER A 33 -22.939 79.665 33.685 1.00 0.00 C ATOM 529 OG SER A 33 -24.229 80.120 33.298 1.00 0.00 O ATOM 0 H SER A 33 -22.618 80.137 31.232 1.00 0.00 H new ATOM 0 HA SER A 33 -21.547 78.148 33.085 1.00 0.00 H new ATOM 0 HB2 SER A 33 -22.972 79.259 34.696 1.00 0.00 H new ATOM 0 HB3 SER A 33 -22.236 80.498 33.699 1.00 0.00 H new ATOM 0 HG SER A 33 -24.536 80.806 33.927 1.00 0.00 H new ATOM 535 N THR A 34 -24.506 77.773 31.706 1.00 0.00 N ATOM 536 CA THR A 34 -25.595 76.785 31.466 1.00 0.00 C ATOM 537 C THR A 34 -24.980 75.506 30.899 1.00 0.00 C ATOM 538 O THR A 34 -25.416 74.398 31.185 1.00 0.00 O ATOM 539 CB THR A 34 -26.572 77.374 30.446 1.00 0.00 C ATOM 540 OG1 THR A 34 -27.070 78.612 30.934 1.00 0.00 O ATOM 541 CG2 THR A 34 -27.737 76.408 30.218 1.00 0.00 C ATOM 0 H THR A 34 -24.584 78.634 31.165 1.00 0.00 H new ATOM 0 HA THR A 34 -26.120 76.561 32.395 1.00 0.00 H new ATOM 0 HB THR A 34 -26.053 77.533 29.501 1.00 0.00 H new ATOM 0 HG1 THR A 34 -27.645 79.024 30.255 1.00 0.00 H new ATOM 0 HG21 THR A 34 -28.427 76.836 29.491 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.355 75.459 29.841 1.00 0.00 H new ATOM 0 HG23 THR A 34 -28.260 76.240 31.159 1.00 0.00 H new ATOM 549 N VAL A 35 -23.954 75.659 30.104 1.00 0.00 N ATOM 550 CA VAL A 35 -23.283 74.478 29.515 1.00 0.00 C ATOM 551 C VAL A 35 -22.632 73.691 30.641 1.00 0.00 C ATOM 552 O VAL A 35 -22.592 72.490 30.594 1.00 0.00 O ATOM 553 CB VAL A 35 -22.212 74.911 28.505 1.00 0.00 C ATOM 554 CG1 VAL A 35 -21.769 73.697 27.688 1.00 0.00 C ATOM 555 CG2 VAL A 35 -22.768 75.977 27.554 1.00 0.00 C ATOM 0 H VAL A 35 -23.554 76.559 29.840 1.00 0.00 H new ATOM 0 HA VAL A 35 -24.017 73.865 28.991 1.00 0.00 H new ATOM 0 HB VAL A 35 -21.366 75.329 29.050 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -21.008 74.000 26.969 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -21.357 72.940 28.355 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -22.626 73.284 27.156 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -21.994 76.272 26.845 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -23.622 75.571 27.011 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -23.084 76.848 28.128 1.00 0.00 H new ATOM 565 N TYR A 36 -22.131 74.362 31.658 1.00 0.00 N ATOM 566 CA TYR A 36 -21.487 73.623 32.793 1.00 0.00 C ATOM 567 C TYR A 36 -22.535 72.974 33.679 1.00 0.00 C ATOM 568 O TYR A 36 -22.226 72.080 34.443 1.00 0.00 O ATOM 569 CB TYR A 36 -20.545 74.542 33.577 1.00 0.00 C ATOM 570 CG TYR A 36 -19.289 74.748 32.751 1.00 0.00 C ATOM 571 CD1 TYR A 36 -18.632 73.649 32.163 1.00 0.00 C ATOM 572 CD2 TYR A 36 -18.800 76.037 32.551 1.00 0.00 C ATOM 573 CE1 TYR A 36 -17.498 73.838 31.378 1.00 0.00 C ATOM 574 CE2 TYR A 36 -17.658 76.237 31.768 1.00 0.00 C ATOM 575 CZ TYR A 36 -17.005 75.139 31.176 1.00 0.00 C ATOM 576 OH TYR A 36 -15.874 75.343 30.413 1.00 0.00 O ATOM 0 H TYR A 36 -22.141 75.378 31.749 1.00 0.00 H new ATOM 0 HA TYR A 36 -20.876 72.818 32.383 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -21.028 75.498 33.780 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -20.297 74.099 34.542 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.012 72.651 32.323 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -19.302 76.881 33.000 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -17.001 72.992 30.928 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.276 77.236 31.617 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.603 74.498 29.997 1.00 0.00 H new ATOM 586 N LYS A 37 -23.781 73.337 33.530 1.00 0.00 N ATOM 587 CA LYS A 37 -24.839 72.646 34.296 1.00 0.00 C ATOM 588 C LYS A 37 -24.921 71.227 33.720 1.00 0.00 C ATOM 589 O LYS A 37 -25.103 70.249 34.419 1.00 0.00 O ATOM 590 CB LYS A 37 -26.169 73.366 34.078 1.00 0.00 C ATOM 591 CG LYS A 37 -26.038 74.844 34.463 1.00 0.00 C ATOM 592 CD LYS A 37 -25.614 74.961 35.928 1.00 0.00 C ATOM 593 CE LYS A 37 -25.514 76.436 36.320 1.00 0.00 C ATOM 594 NZ LYS A 37 -26.817 76.890 36.882 1.00 0.00 N ATOM 0 H LYS A 37 -24.104 74.081 32.911 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.625 72.632 35.365 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -26.471 73.280 33.034 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.949 72.894 34.676 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -25.304 75.333 33.822 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -26.988 75.356 34.308 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -26.336 74.453 36.567 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -24.653 74.469 36.079 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -24.721 76.575 37.055 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.252 77.038 35.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -26.749 77.893 37.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -27.563 76.771 36.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -27.049 76.323 37.723 1.00 0.00 H new ATOM 608 N VAL A 38 -24.775 71.145 32.422 1.00 0.00 N ATOM 609 CA VAL A 38 -24.820 69.849 31.696 1.00 0.00 C ATOM 610 C VAL A 38 -23.493 69.060 31.877 1.00 0.00 C ATOM 611 O VAL A 38 -23.489 67.906 32.257 1.00 0.00 O ATOM 612 CB VAL A 38 -25.077 70.207 30.209 1.00 0.00 C ATOM 613 CG1 VAL A 38 -24.446 69.210 29.222 1.00 0.00 C ATOM 614 CG2 VAL A 38 -26.583 70.265 29.983 1.00 0.00 C ATOM 0 H VAL A 38 -24.621 71.954 31.820 1.00 0.00 H new ATOM 0 HA VAL A 38 -25.605 69.199 32.083 1.00 0.00 H new ATOM 0 HB VAL A 38 -24.605 71.170 30.016 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -24.665 69.521 28.201 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -23.366 69.185 29.370 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -24.859 68.216 29.395 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -26.785 70.516 28.942 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -27.023 69.295 30.215 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -27.019 71.026 30.631 1.00 0.00 H new ATOM 624 N ILE A 39 -22.387 69.676 31.562 1.00 0.00 N ATOM 625 CA ILE A 39 -21.048 69.004 31.649 1.00 0.00 C ATOM 626 C ILE A 39 -20.833 68.476 33.062 1.00 0.00 C ATOM 627 O ILE A 39 -20.248 67.430 33.269 1.00 0.00 O ATOM 628 CB ILE A 39 -19.960 70.015 31.268 1.00 0.00 C ATOM 629 CG1 ILE A 39 -20.298 70.647 29.927 1.00 0.00 C ATOM 630 CG2 ILE A 39 -18.590 69.357 31.129 1.00 0.00 C ATOM 631 CD1 ILE A 39 -19.929 72.105 29.985 1.00 0.00 C ATOM 0 H ILE A 39 -22.349 70.643 31.239 1.00 0.00 H new ATOM 0 HA ILE A 39 -21.002 68.160 30.960 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.922 70.757 32.065 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -19.753 70.149 29.125 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -21.360 70.532 29.710 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.850 70.110 30.858 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.309 68.897 32.077 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -18.630 68.593 30.353 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.164 72.578 29.031 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.494 72.592 30.780 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.862 72.203 30.185 1.00 0.00 H new ATOM 643 N ASN A 40 -21.340 69.185 34.028 1.00 0.00 N ATOM 644 CA ASN A 40 -21.221 68.737 35.441 1.00 0.00 C ATOM 645 C ASN A 40 -22.105 67.509 35.622 1.00 0.00 C ATOM 646 O ASN A 40 -21.742 66.554 36.282 1.00 0.00 O ATOM 647 CB ASN A 40 -21.722 69.843 36.364 1.00 0.00 C ATOM 648 CG ASN A 40 -20.599 70.850 36.622 1.00 0.00 C ATOM 649 OD1 ASN A 40 -20.785 72.040 36.462 1.00 0.00 O ATOM 650 ND2 ASN A 40 -19.433 70.422 37.024 1.00 0.00 N ATOM 0 H ASN A 40 -21.837 70.066 33.898 1.00 0.00 H new ATOM 0 HA ASN A 40 -20.183 68.505 35.679 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -22.578 70.346 35.913 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -22.064 69.416 37.307 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -18.680 71.086 37.203 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.275 69.423 37.159 1.00 0.00 H new ATOM 657 N GLU A 41 -23.273 67.538 35.030 1.00 0.00 N ATOM 658 CA GLU A 41 -24.212 66.383 35.148 1.00 0.00 C ATOM 659 C GLU A 41 -23.554 65.120 34.582 1.00 0.00 C ATOM 660 O GLU A 41 -23.848 64.017 35.002 1.00 0.00 O ATOM 661 CB GLU A 41 -25.491 66.685 34.366 1.00 0.00 C ATOM 662 CG GLU A 41 -26.320 67.724 35.125 1.00 0.00 C ATOM 663 CD GLU A 41 -27.364 67.015 35.990 1.00 0.00 C ATOM 664 OE1 GLU A 41 -28.053 66.156 35.466 1.00 0.00 O ATOM 665 OE2 GLU A 41 -27.457 67.344 37.161 1.00 0.00 O ATOM 0 H GLU A 41 -23.617 68.316 34.468 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.455 66.222 36.198 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.243 67.058 33.372 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.070 65.772 34.229 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -25.670 68.336 35.750 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -26.812 68.396 34.422 1.00 0.00 H new ATOM 672 N SER A 42 -22.665 65.277 33.633 1.00 0.00 N ATOM 673 CA SER A 42 -21.982 64.092 33.036 1.00 0.00 C ATOM 674 C SER A 42 -21.058 63.460 34.080 1.00 0.00 C ATOM 675 O SER A 42 -21.198 62.301 34.422 1.00 0.00 O ATOM 676 CB SER A 42 -21.157 64.534 31.827 1.00 0.00 C ATOM 677 OG SER A 42 -21.990 65.256 30.930 1.00 0.00 O ATOM 0 H SER A 42 -22.383 66.178 33.246 1.00 0.00 H new ATOM 0 HA SER A 42 -22.728 63.363 32.719 1.00 0.00 H new ATOM 0 HB2 SER A 42 -20.323 65.158 32.149 1.00 0.00 H new ATOM 0 HB3 SER A 42 -20.730 63.665 31.326 1.00 0.00 H new ATOM 0 HG SER A 42 -21.464 65.543 30.154 1.00 0.00 H new ATOM 683 N ASN A 43 -20.117 64.215 34.586 1.00 0.00 N ATOM 684 CA ASN A 43 -19.178 63.669 35.609 1.00 0.00 C ATOM 685 C ASN A 43 -18.602 64.818 36.438 1.00 0.00 C ATOM 686 O ASN A 43 -18.778 65.957 36.038 1.00 0.00 O ATOM 687 CB ASN A 43 -18.039 62.921 34.910 1.00 0.00 C ATOM 688 CG ASN A 43 -17.376 63.842 33.884 1.00 0.00 C ATOM 689 OD1 ASN A 43 -17.719 63.820 32.718 1.00 0.00 O ATOM 690 ND2 ASN A 43 -16.432 64.657 34.270 1.00 0.00 N ATOM 691 OXT ASN A 43 -17.994 64.540 37.459 1.00 0.00 O ATOM 0 H ASN A 43 -19.959 65.190 34.333 1.00 0.00 H new ATOM 0 HA ASN A 43 -19.714 62.982 36.264 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -17.305 62.588 35.643 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -18.425 62.028 34.417 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.983 65.274 33.593 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -16.143 64.676 35.248 1.00 0.00 H new TER 698 ASN A 43