USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 712 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 27 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 30 SER OG : rot -44:sc= 1.02 USER MOD Set 2.1: A 7 SER OG : rot 180:sc= -0.888 USER MOD Set 2.2: A 56 GLN : amide:sc= -6.19! C(o=-7.1!,f=-6.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= -0.182 (180deg=-0.663) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 34:sc= -1.09 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -168:sc= -0.355 USER MOD Single : A 21 MET CE :methyl 161:sc= -4.7 (180deg=-7.03!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.42) USER MOD Single : A 40 SER OG : rot 57:sc= 0.0112 USER MOD Single : A 41 SER OG : rot -150:sc= -0.127 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -3.24! C(o=-3.2!,f=-3!) USER MOD Single : A 57 CYS SG : rot 17:sc= 0.821 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 120:sc= 0 USER MOD Single : A 68 MET CE :methyl 147:sc= -0.348 (180deg=-1.83!) USER MOD Single : A 72 GLN : amide:sc= -0.426 K(o=-0.43,f=-2.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -2.86! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -3.51! C(o=-3.5!,f=-4.5!) USER MOD Single : A 82 SER OG : rot 43:sc= 1.05 USER MOD Single : A 83 MET CE :methyl 146:sc= -1.91 (180deg=-5.95!) USER MOD Single : A 89 ASN : amide:sc= -0.347 K(o=-0.35,f=-1.1!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.849 -4.458 9.470 1.00 0.00 N ATOM 2 CA MET A 1 14.203 -3.057 9.362 1.00 0.00 C ATOM 3 C MET A 1 14.489 -2.705 7.909 1.00 0.00 C ATOM 4 O MET A 1 15.437 -1.965 7.652 1.00 0.00 O ATOM 5 CB MET A 1 15.420 -2.772 10.237 1.00 0.00 C ATOM 6 CG MET A 1 15.001 -2.765 11.705 1.00 0.00 C ATOM 7 SD MET A 1 16.380 -2.947 12.862 1.00 0.00 S ATOM 8 CE MET A 1 15.512 -2.578 14.407 1.00 0.00 C ATOM 0 H1 MET A 1 12.839 -4.544 9.705 1.00 0.00 H new ATOM 0 H2 MET A 1 14.036 -4.934 8.564 1.00 0.00 H new ATOM 0 H3 MET A 1 14.417 -4.903 10.219 1.00 0.00 H new ATOM 0 HA MET A 1 13.372 -2.442 9.706 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.186 -3.529 10.070 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.858 -1.811 9.968 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.480 -1.832 11.920 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.289 -3.573 11.873 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.211 -2.642 15.241 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.096 -1.572 14.359 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.706 -3.297 14.552 1.00 0.00 H new ATOM 20 N LEU A 2 13.680 -3.232 7.002 1.00 0.00 N ATOM 21 CA LEU A 2 13.865 -2.960 5.587 1.00 0.00 C ATOM 22 C LEU A 2 13.133 -1.667 5.221 1.00 0.00 C ATOM 23 O LEU A 2 12.594 -0.987 6.091 1.00 0.00 O ATOM 24 CB LEU A 2 13.438 -4.167 4.749 1.00 0.00 C ATOM 25 CG LEU A 2 14.570 -5.050 4.219 1.00 0.00 C ATOM 26 CD1 LEU A 2 14.654 -6.361 5.002 1.00 0.00 C ATOM 27 CD2 LEU A 2 14.421 -5.289 2.716 1.00 0.00 C ATOM 0 H LEU A 2 12.895 -3.846 7.219 1.00 0.00 H new ATOM 0 HA LEU A 2 14.920 -2.804 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.773 -4.786 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.857 -3.807 3.900 1.00 0.00 H new ATOM 0 HG LEU A 2 15.513 -4.524 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 2 15.466 -6.970 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 2 14.842 -6.145 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.713 -6.903 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 2 15.238 -5.919 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 2 13.470 -5.784 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 2 14.448 -4.334 2.191 1.00 0.00 H new ATOM 39 N VAL A 3 13.139 -1.367 3.929 1.00 0.00 N ATOM 40 CA VAL A 3 12.482 -0.169 3.437 1.00 0.00 C ATOM 41 C VAL A 3 11.810 -0.474 2.097 1.00 0.00 C ATOM 42 O VAL A 3 11.987 -1.558 1.542 1.00 0.00 O ATOM 43 CB VAL A 3 13.488 0.982 3.353 1.00 0.00 C ATOM 44 CG1 VAL A 3 14.028 1.134 1.930 1.00 0.00 C ATOM 45 CG2 VAL A 3 12.867 2.290 3.847 1.00 0.00 C ATOM 0 H VAL A 3 13.588 -1.933 3.210 1.00 0.00 H new ATOM 0 HA VAL A 3 11.701 0.149 4.127 1.00 0.00 H new ATOM 0 HB VAL A 3 14.327 0.743 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 3 14.740 1.958 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.526 0.212 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 3 13.203 1.340 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 3 13.603 3.091 3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 3 12.002 2.537 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 3 12.554 2.175 4.885 1.00 0.00 H new ATOM 55 N ALA A 4 11.052 0.500 1.616 1.00 0.00 N ATOM 56 CA ALA A 4 10.353 0.349 0.351 1.00 0.00 C ATOM 57 C ALA A 4 9.133 -0.553 0.553 1.00 0.00 C ATOM 58 O ALA A 4 9.277 -1.751 0.795 1.00 0.00 O ATOM 59 CB ALA A 4 11.317 -0.199 -0.703 1.00 0.00 C ATOM 0 H ALA A 4 10.906 1.397 2.079 1.00 0.00 H new ATOM 0 HA ALA A 4 9.994 1.314 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.793 -0.312 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.150 0.493 -0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.696 -1.169 -0.380 1.00 0.00 H new ATOM 65 N LYS A 5 7.962 0.057 0.446 1.00 0.00 N ATOM 66 CA LYS A 5 6.719 -0.676 0.613 1.00 0.00 C ATOM 67 C LYS A 5 6.147 -1.023 -0.763 1.00 0.00 C ATOM 68 O LYS A 5 6.671 -0.585 -1.785 1.00 0.00 O ATOM 69 CB LYS A 5 5.750 0.107 1.502 1.00 0.00 C ATOM 70 CG LYS A 5 6.162 0.018 2.973 1.00 0.00 C ATOM 71 CD LYS A 5 5.176 -0.841 3.767 1.00 0.00 C ATOM 72 CE LYS A 5 5.555 -0.884 5.248 1.00 0.00 C ATOM 73 NZ LYS A 5 5.047 0.317 5.948 1.00 0.00 N ATOM 0 H LYS A 5 7.848 1.051 0.246 1.00 0.00 H new ATOM 0 HA LYS A 5 6.900 -1.618 1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.727 1.151 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.740 -0.285 1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.163 -0.407 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.207 1.019 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.169 -0.440 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.162 -1.853 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.144 -1.782 5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.639 -0.941 5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.313 0.272 6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.460 1.170 5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.011 0.355 5.866 1.00 0.00 H new ATOM 87 N SER A 6 5.080 -1.807 -0.744 1.00 0.00 N ATOM 88 CA SER A 6 4.431 -2.218 -1.978 1.00 0.00 C ATOM 89 C SER A 6 2.945 -2.478 -1.726 1.00 0.00 C ATOM 90 O SER A 6 2.504 -2.520 -0.578 1.00 0.00 O ATOM 91 CB SER A 6 5.096 -3.466 -2.561 1.00 0.00 C ATOM 92 OG SER A 6 6.051 -3.141 -3.567 1.00 0.00 O ATOM 0 H SER A 6 4.648 -2.169 0.106 1.00 0.00 H new ATOM 0 HA SER A 6 4.535 -1.411 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.586 -4.022 -1.762 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.333 -4.120 -2.983 1.00 0.00 H new ATOM 0 HG SER A 6 6.489 -2.294 -3.341 1.00 0.00 H new ATOM 98 N SER A 7 2.212 -2.646 -2.817 1.00 0.00 N ATOM 99 CA SER A 7 0.784 -2.900 -2.729 1.00 0.00 C ATOM 100 C SER A 7 0.469 -4.300 -3.260 1.00 0.00 C ATOM 101 O SER A 7 1.087 -4.758 -4.219 1.00 0.00 O ATOM 102 CB SER A 7 -0.012 -1.847 -3.503 1.00 0.00 C ATOM 103 OG SER A 7 -1.137 -2.412 -4.169 1.00 0.00 O ATOM 0 H SER A 7 2.581 -2.611 -3.767 1.00 0.00 H new ATOM 0 HA SER A 7 0.490 -2.840 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.349 -1.071 -2.816 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.638 -1.366 -4.234 1.00 0.00 H new ATOM 0 HG SER A 7 -1.620 -1.708 -4.650 1.00 0.00 H new ATOM 109 N ILE A 8 -0.494 -4.940 -2.613 1.00 0.00 N ATOM 110 CA ILE A 8 -0.899 -6.278 -3.008 1.00 0.00 C ATOM 111 C ILE A 8 -2.417 -6.410 -2.863 1.00 0.00 C ATOM 112 O ILE A 8 -2.947 -6.340 -1.755 1.00 0.00 O ATOM 113 CB ILE A 8 -0.112 -7.330 -2.224 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.373 -6.972 -2.165 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.343 -8.729 -2.799 1.00 0.00 C ATOM 116 CD1 ILE A 8 2.041 -7.174 -3.527 1.00 0.00 C ATOM 0 H ILE A 8 -1.005 -4.557 -1.818 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.662 -6.454 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.481 -7.339 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.488 -5.935 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.870 -7.590 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.228 -9.458 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.404 -8.974 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.018 -8.753 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.097 -6.912 -3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.945 -8.217 -3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.558 -6.537 -4.267 1.00 0.00 H new ATOM 128 N LEU A 9 -3.074 -6.601 -3.999 1.00 0.00 N ATOM 129 CA LEU A 9 -4.520 -6.745 -4.011 1.00 0.00 C ATOM 130 C LEU A 9 -4.881 -8.231 -3.993 1.00 0.00 C ATOM 131 O LEU A 9 -4.513 -8.974 -4.902 1.00 0.00 O ATOM 132 CB LEU A 9 -5.123 -5.979 -5.191 1.00 0.00 C ATOM 133 CG LEU A 9 -6.639 -5.783 -5.158 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.039 -4.775 -4.079 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.171 -5.388 -6.537 1.00 0.00 C ATOM 0 H LEU A 9 -2.632 -6.659 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.955 -6.301 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.651 -4.998 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.864 -6.505 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.100 -6.735 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.122 -4.654 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.713 -5.137 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.567 -3.814 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.252 -5.255 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.705 -4.455 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.936 -6.173 -7.256 1.00 0.00 H new ATOM 147 N LEU A 10 -5.596 -8.621 -2.949 1.00 0.00 N ATOM 148 CA LEU A 10 -6.011 -10.005 -2.800 1.00 0.00 C ATOM 149 C LEU A 10 -7.482 -10.137 -3.200 1.00 0.00 C ATOM 150 O LEU A 10 -8.251 -9.186 -3.074 1.00 0.00 O ATOM 151 CB LEU A 10 -5.711 -10.506 -1.387 1.00 0.00 C ATOM 152 CG LEU A 10 -4.266 -10.932 -1.119 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.298 -9.772 -1.368 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.116 -11.510 0.289 1.00 0.00 C ATOM 0 H LEU A 10 -5.899 -8.002 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.439 -10.648 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.974 -9.719 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.364 -11.353 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.008 -11.725 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.278 -10.101 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.380 -9.446 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.546 -8.942 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.079 -11.805 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.400 -10.756 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.762 -12.381 0.395 1.00 0.00 H new ATOM 166 N ASP A 11 -7.829 -11.325 -3.674 1.00 0.00 N ATOM 167 CA ASP A 11 -9.194 -11.595 -4.092 1.00 0.00 C ATOM 168 C ASP A 11 -9.638 -12.947 -3.531 1.00 0.00 C ATOM 169 O ASP A 11 -9.275 -13.993 -4.065 1.00 0.00 O ATOM 170 CB ASP A 11 -9.300 -11.657 -5.618 1.00 0.00 C ATOM 171 CG ASP A 11 -10.265 -10.647 -6.241 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.199 -10.165 -5.582 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.025 -10.354 -7.474 1.00 0.00 O ATOM 0 H ASP A 11 -7.188 -12.112 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.827 -10.790 -3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.309 -11.499 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.613 -12.661 -5.905 1.00 0.00 H new ATOM 178 N VAL A 12 -10.417 -12.881 -2.462 1.00 0.00 N ATOM 179 CA VAL A 12 -10.914 -14.087 -1.822 1.00 0.00 C ATOM 180 C VAL A 12 -12.351 -14.348 -2.280 1.00 0.00 C ATOM 181 O VAL A 12 -13.129 -13.411 -2.455 1.00 0.00 O ATOM 182 CB VAL A 12 -10.784 -13.966 -0.302 1.00 0.00 C ATOM 183 CG1 VAL A 12 -10.908 -15.335 0.370 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.469 -13.284 0.082 1.00 0.00 C ATOM 0 H VAL A 12 -10.717 -12.011 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.316 -14.949 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.603 -13.342 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.812 -15.220 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.880 -15.768 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.120 -15.993 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.401 -13.210 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.631 -13.871 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.437 -12.285 -0.352 1.00 0.00 H new ATOM 194 N LYS A 13 -12.658 -15.624 -2.461 1.00 0.00 N ATOM 195 CA LYS A 13 -13.988 -16.018 -2.894 1.00 0.00 C ATOM 196 C LYS A 13 -14.722 -16.687 -1.730 1.00 0.00 C ATOM 197 O LYS A 13 -14.245 -17.676 -1.177 1.00 0.00 O ATOM 198 CB LYS A 13 -13.905 -16.889 -4.150 1.00 0.00 C ATOM 199 CG LYS A 13 -15.268 -16.992 -4.836 1.00 0.00 C ATOM 200 CD LYS A 13 -15.907 -18.359 -4.581 1.00 0.00 C ATOM 201 CE LYS A 13 -17.421 -18.306 -4.799 1.00 0.00 C ATOM 202 NZ LYS A 13 -17.745 -18.486 -6.232 1.00 0.00 N ATOM 0 H LYS A 13 -12.009 -16.398 -2.316 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.572 -15.142 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.176 -16.467 -4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.552 -17.885 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.925 -16.205 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.152 -16.835 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.466 -19.101 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.694 -18.680 -3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.907 -19.084 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.812 -17.350 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.776 -18.447 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.297 -17.729 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.390 -19.408 -6.555 1.00 0.00 H new ATOM 216 N PRO A 14 -15.902 -16.105 -1.385 1.00 0.00 N ATOM 217 CA PRO A 14 -16.706 -16.633 -0.298 1.00 0.00 C ATOM 218 C PRO A 14 -17.424 -17.917 -0.719 1.00 0.00 C ATOM 219 O PRO A 14 -17.913 -18.017 -1.843 1.00 0.00 O ATOM 220 CB PRO A 14 -17.664 -15.510 0.066 1.00 0.00 C ATOM 221 CG PRO A 14 -17.676 -14.570 -1.129 1.00 0.00 C ATOM 222 CD PRO A 14 -16.498 -14.933 -2.019 1.00 0.00 C ATOM 0 HA PRO A 14 -16.106 -16.923 0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.662 -15.898 0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.335 -14.992 0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.613 -14.663 -1.679 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -17.601 -13.533 -0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.823 -15.155 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -15.784 -14.112 -2.085 1.00 0.00 H new ATOM 230 N TRP A 15 -17.463 -18.866 0.205 1.00 0.00 N ATOM 231 CA TRP A 15 -18.112 -20.140 -0.058 1.00 0.00 C ATOM 232 C TRP A 15 -19.426 -19.858 -0.791 1.00 0.00 C ATOM 233 O TRP A 15 -19.796 -20.586 -1.710 1.00 0.00 O ATOM 234 CB TRP A 15 -18.307 -20.932 1.235 1.00 0.00 C ATOM 235 CG TRP A 15 -17.234 -21.995 1.481 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.541 -22.223 2.605 1.00 0.00 C ATOM 237 CD2 TRP A 15 -16.757 -22.971 0.531 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.656 -23.271 2.449 1.00 0.00 N ATOM 239 CE2 TRP A 15 -15.791 -23.740 1.148 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.129 -23.197 -0.806 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.118 -24.785 0.506 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.447 -24.246 -1.434 1.00 0.00 C ATOM 243 CH2 TRP A 15 -15.472 -25.028 -0.827 1.00 0.00 C ATOM 0 H TRP A 15 -17.056 -18.779 1.136 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.487 -20.768 -0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.317 -20.239 2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.284 -21.415 1.209 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.660 -21.658 3.518 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.020 -23.634 3.159 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -17.882 -22.608 -1.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.366 -25.373 1.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -16.696 -24.463 -2.462 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -14.989 -25.820 -1.381 1.00 0.00 H new ATOM 254 N ASP A 16 -20.095 -18.799 -0.355 1.00 0.00 N ATOM 255 CA ASP A 16 -21.359 -18.414 -0.957 1.00 0.00 C ATOM 256 C ASP A 16 -21.830 -17.095 -0.341 1.00 0.00 C ATOM 257 O ASP A 16 -21.087 -16.449 0.395 1.00 0.00 O ATOM 258 CB ASP A 16 -22.436 -19.469 -0.700 1.00 0.00 C ATOM 259 CG ASP A 16 -22.941 -20.196 -1.948 1.00 0.00 C ATOM 260 OD1 ASP A 16 -23.145 -19.583 -3.006 1.00 0.00 O ATOM 261 OD2 ASP A 16 -23.126 -21.465 -1.802 1.00 0.00 O ATOM 0 H ASP A 16 -19.785 -18.197 0.408 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.205 -18.313 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.040 -20.208 -0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.283 -18.989 -0.210 1.00 0.00 H new ATOM 266 N ASP A 17 -23.064 -16.736 -0.664 1.00 0.00 N ATOM 267 CA ASP A 17 -23.644 -15.506 -0.152 1.00 0.00 C ATOM 268 C ASP A 17 -23.785 -15.608 1.368 1.00 0.00 C ATOM 269 O ASP A 17 -23.852 -14.593 2.059 1.00 0.00 O ATOM 270 CB ASP A 17 -25.036 -15.265 -0.741 1.00 0.00 C ATOM 271 CG ASP A 17 -25.967 -14.417 0.127 1.00 0.00 C ATOM 272 OD1 ASP A 17 -25.669 -13.163 0.184 1.00 0.00 O ATOM 273 OD2 ASP A 17 -26.930 -14.929 0.719 1.00 0.00 O ATOM 0 H ASP A 17 -23.678 -17.276 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 17 -22.987 -14.682 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -24.925 -14.779 -1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.510 -16.230 -0.921 1.00 0.00 H new ATOM 278 N GLU A 18 -23.826 -16.845 1.844 1.00 0.00 N ATOM 279 CA GLU A 18 -23.958 -17.093 3.270 1.00 0.00 C ATOM 280 C GLU A 18 -22.755 -16.521 4.022 1.00 0.00 C ATOM 281 O GLU A 18 -22.892 -16.038 5.145 1.00 0.00 O ATOM 282 CB GLU A 18 -24.122 -18.587 3.553 1.00 0.00 C ATOM 283 CG GLU A 18 -22.897 -19.372 3.079 1.00 0.00 C ATOM 284 CD GLU A 18 -22.909 -20.797 3.637 1.00 0.00 C ATOM 285 OE1 GLU A 18 -23.694 -21.638 3.175 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.063 -21.017 4.586 1.00 0.00 O ATOM 0 H GLU A 18 -23.770 -17.685 1.268 1.00 0.00 H new ATOM 0 HA GLU A 18 -24.857 -16.589 3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.268 -18.745 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.014 -18.960 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.881 -19.404 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.988 -18.861 3.396 1.00 0.00 H new ATOM 293 N THR A 19 -21.603 -16.593 3.372 1.00 0.00 N ATOM 294 CA THR A 19 -20.375 -16.089 3.966 1.00 0.00 C ATOM 295 C THR A 19 -20.498 -14.591 4.249 1.00 0.00 C ATOM 296 O THR A 19 -20.313 -13.769 3.353 1.00 0.00 O ATOM 297 CB THR A 19 -19.218 -16.438 3.028 1.00 0.00 C ATOM 298 OG1 THR A 19 -18.757 -17.700 3.501 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.017 -15.509 3.210 1.00 0.00 C ATOM 0 H THR A 19 -21.493 -16.993 2.440 1.00 0.00 H new ATOM 0 HA THR A 19 -20.180 -16.556 4.931 1.00 0.00 H new ATOM 0 HB THR A 19 -19.561 -16.389 1.994 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.897 -17.912 3.082 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.224 -15.800 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.317 -14.482 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.652 -15.582 4.235 1.00 0.00 H new ATOM 307 N ASP A 20 -20.808 -14.281 5.499 1.00 0.00 N ATOM 308 CA ASP A 20 -20.956 -12.895 5.912 1.00 0.00 C ATOM 309 C ASP A 20 -19.861 -12.051 5.257 1.00 0.00 C ATOM 310 O ASP A 20 -18.705 -12.097 5.673 1.00 0.00 O ATOM 311 CB ASP A 20 -20.817 -12.754 7.429 1.00 0.00 C ATOM 312 CG ASP A 20 -21.920 -11.940 8.107 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.437 -10.967 7.538 1.00 0.00 O ATOM 314 OD2 ASP A 20 -22.251 -12.346 9.286 1.00 0.00 O ATOM 0 H ASP A 20 -20.961 -14.965 6.240 1.00 0.00 H new ATOM 0 HA ASP A 20 -21.947 -12.557 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.798 -13.750 7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.856 -12.289 7.649 1.00 0.00 H new ATOM 319 N MET A 21 -20.264 -11.303 4.241 1.00 0.00 N ATOM 320 CA MET A 21 -19.331 -10.450 3.524 1.00 0.00 C ATOM 321 C MET A 21 -18.804 -9.332 4.426 1.00 0.00 C ATOM 322 O MET A 21 -17.603 -9.066 4.453 1.00 0.00 O ATOM 323 CB MET A 21 -20.030 -9.837 2.308 1.00 0.00 C ATOM 324 CG MET A 21 -20.545 -10.927 1.366 1.00 0.00 C ATOM 325 SD MET A 21 -19.186 -11.933 0.795 1.00 0.00 S ATOM 326 CE MET A 21 -18.983 -11.274 -0.852 1.00 0.00 C ATOM 0 H MET A 21 -21.224 -11.270 3.897 1.00 0.00 H new ATOM 0 HA MET A 21 -18.487 -11.059 3.201 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.861 -9.213 2.638 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.336 -9.188 1.774 1.00 0.00 H new ATOM 0 HG2 MET A 21 -21.277 -11.549 1.882 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.055 -10.473 0.516 1.00 0.00 H new ATOM 0 HE1 MET A 21 -17.993 -11.533 -1.228 1.00 0.00 H new ATOM 0 HE2 MET A 21 -19.743 -11.697 -1.509 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.089 -10.189 -0.826 1.00 0.00 H new ATOM 336 N ALA A 22 -19.728 -8.708 5.142 1.00 0.00 N ATOM 337 CA ALA A 22 -19.371 -7.625 6.043 1.00 0.00 C ATOM 338 C ALA A 22 -18.310 -8.118 7.030 1.00 0.00 C ATOM 339 O ALA A 22 -17.303 -7.447 7.249 1.00 0.00 O ATOM 340 CB ALA A 22 -20.629 -7.112 6.747 1.00 0.00 C ATOM 0 H ALA A 22 -20.723 -8.932 5.117 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.943 -6.789 5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.362 -6.300 7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.339 -6.748 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.084 -7.923 7.316 1.00 0.00 H new ATOM 346 N LYS A 23 -18.574 -9.285 7.598 1.00 0.00 N ATOM 347 CA LYS A 23 -17.654 -9.875 8.556 1.00 0.00 C ATOM 348 C LYS A 23 -16.319 -10.162 7.866 1.00 0.00 C ATOM 349 O LYS A 23 -15.260 -9.811 8.384 1.00 0.00 O ATOM 350 CB LYS A 23 -18.282 -11.104 9.215 1.00 0.00 C ATOM 351 CG LYS A 23 -17.748 -11.299 10.636 1.00 0.00 C ATOM 352 CD LYS A 23 -18.863 -11.132 11.670 1.00 0.00 C ATOM 353 CE LYS A 23 -18.296 -10.701 13.023 1.00 0.00 C ATOM 354 NZ LYS A 23 -17.686 -11.855 13.721 1.00 0.00 N ATOM 0 H LYS A 23 -19.411 -9.838 7.414 1.00 0.00 H new ATOM 0 HA LYS A 23 -17.450 -9.176 9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.366 -10.992 9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.068 -11.990 8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.307 -12.291 10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.955 -10.578 10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.581 -10.390 11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.404 -12.072 11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.550 -9.920 12.879 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.089 -10.275 13.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.306 -11.545 14.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.407 -12.588 13.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.916 -12.244 13.141 1.00 0.00 H new ATOM 368 N LEU A 24 -16.414 -10.797 6.708 1.00 0.00 N ATOM 369 CA LEU A 24 -15.227 -11.136 5.940 1.00 0.00 C ATOM 370 C LEU A 24 -14.462 -9.855 5.601 1.00 0.00 C ATOM 371 O LEU A 24 -13.252 -9.777 5.809 1.00 0.00 O ATOM 372 CB LEU A 24 -15.601 -11.972 4.715 1.00 0.00 C ATOM 373 CG LEU A 24 -14.800 -13.259 4.511 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.340 -14.059 3.324 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.307 -12.959 4.368 1.00 0.00 C ATOM 0 H LEU A 24 -17.295 -11.086 6.282 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.557 -11.761 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.657 -12.232 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.485 -11.351 3.827 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.920 -13.880 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.753 -14.969 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.382 -14.322 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.270 -13.457 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.761 -13.891 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.147 -12.308 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.947 -12.463 5.270 1.00 0.00 H new ATOM 387 N GLU A 25 -15.199 -8.882 5.085 1.00 0.00 N ATOM 388 CA GLU A 25 -14.605 -7.609 4.715 1.00 0.00 C ATOM 389 C GLU A 25 -13.957 -6.950 5.935 1.00 0.00 C ATOM 390 O GLU A 25 -12.765 -6.652 5.924 1.00 0.00 O ATOM 391 CB GLU A 25 -15.644 -6.683 4.079 1.00 0.00 C ATOM 392 CG GLU A 25 -15.082 -6.005 2.829 1.00 0.00 C ATOM 393 CD GLU A 25 -14.973 -6.996 1.669 1.00 0.00 C ATOM 394 OE1 GLU A 25 -15.898 -7.792 1.445 1.00 0.00 O ATOM 395 OE2 GLU A 25 -13.881 -6.920 0.987 1.00 0.00 O ATOM 0 H GLU A 25 -16.202 -8.950 4.915 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.829 -7.795 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.534 -7.255 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.952 -5.926 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.725 -5.173 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.099 -5.587 3.048 1.00 0.00 H new ATOM 402 N GLU A 26 -14.774 -6.744 6.959 1.00 0.00 N ATOM 403 CA GLU A 26 -14.295 -6.127 8.184 1.00 0.00 C ATOM 404 C GLU A 26 -13.148 -6.946 8.778 1.00 0.00 C ATOM 405 O GLU A 26 -12.031 -6.448 8.918 1.00 0.00 O ATOM 406 CB GLU A 26 -15.432 -5.961 9.194 1.00 0.00 C ATOM 407 CG GLU A 26 -16.357 -4.810 8.796 1.00 0.00 C ATOM 408 CD GLU A 26 -15.709 -3.457 9.097 1.00 0.00 C ATOM 409 OE1 GLU A 26 -15.552 -3.194 10.351 1.00 0.00 O ATOM 410 OE2 GLU A 26 -15.380 -2.705 8.167 1.00 0.00 O ATOM 0 H GLU A 26 -15.763 -6.993 6.965 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.918 -5.133 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.004 -6.886 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.018 -5.773 10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.590 -4.877 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.300 -4.894 9.336 1.00 0.00 H new ATOM 417 N CYS A 27 -13.462 -8.189 9.113 1.00 0.00 N ATOM 418 CA CYS A 27 -12.471 -9.082 9.690 1.00 0.00 C ATOM 419 C CYS A 27 -11.171 -8.932 8.898 1.00 0.00 C ATOM 420 O CYS A 27 -10.118 -8.664 9.473 1.00 0.00 O ATOM 421 CB CYS A 27 -12.962 -10.531 9.712 1.00 0.00 C ATOM 422 SG CYS A 27 -11.730 -11.596 10.550 1.00 0.00 S ATOM 0 H CYS A 27 -14.389 -8.599 8.996 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.294 -8.811 10.731 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.919 -10.592 10.230 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -13.127 -10.883 8.694 1.00 0.00 H new ATOM 0 HG CYS A 27 -12.157 -12.824 10.565 1.00 0.00 H new ATOM 428 N VAL A 28 -11.287 -9.111 7.591 1.00 0.00 N ATOM 429 CA VAL A 28 -10.134 -8.998 6.714 1.00 0.00 C ATOM 430 C VAL A 28 -9.288 -7.797 7.143 1.00 0.00 C ATOM 431 O VAL A 28 -8.074 -7.912 7.295 1.00 0.00 O ATOM 432 CB VAL A 28 -10.590 -8.918 5.256 1.00 0.00 C ATOM 433 CG1 VAL A 28 -9.519 -8.264 4.382 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.964 -10.302 4.721 1.00 0.00 C ATOM 0 H VAL A 28 -12.163 -9.334 7.117 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.505 -9.884 6.795 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.482 -8.292 5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.868 -8.220 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.322 -7.254 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.602 -8.851 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.285 -10.216 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.098 -10.961 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.776 -10.716 5.319 1.00 0.00 H new ATOM 444 N ARG A 29 -9.965 -6.672 7.325 1.00 0.00 N ATOM 445 CA ARG A 29 -9.291 -5.452 7.733 1.00 0.00 C ATOM 446 C ARG A 29 -8.806 -5.571 9.179 1.00 0.00 C ATOM 447 O ARG A 29 -7.739 -5.066 9.523 1.00 0.00 O ATOM 448 CB ARG A 29 -10.220 -4.243 7.612 1.00 0.00 C ATOM 449 CG ARG A 29 -9.514 -3.076 6.918 1.00 0.00 C ATOM 450 CD ARG A 29 -9.982 -1.735 7.488 1.00 0.00 C ATOM 451 NE ARG A 29 -8.812 -0.896 7.831 1.00 0.00 N ATOM 452 CZ ARG A 29 -8.127 -0.994 8.977 1.00 0.00 C ATOM 453 NH1 ARG A 29 -8.489 -1.896 9.900 1.00 0.00 N ATOM 454 NH2 ARG A 29 -7.079 -0.190 9.203 1.00 0.00 N ATOM 0 H ARG A 29 -10.973 -6.581 7.197 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.437 -5.308 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.111 -4.520 7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.552 -3.934 8.603 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.436 -3.172 7.044 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.714 -3.110 5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.609 -1.220 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.594 -1.901 8.375 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.508 -0.199 7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.287 -2.508 9.729 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.967 -1.970 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.803 0.497 8.502 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.558 -0.265 10.076 1.00 0.00 H new ATOM 468 N SER A 30 -9.613 -6.242 9.987 1.00 0.00 N ATOM 469 CA SER A 30 -9.280 -6.435 11.388 1.00 0.00 C ATOM 470 C SER A 30 -7.919 -7.123 11.513 1.00 0.00 C ATOM 471 O SER A 30 -7.216 -6.939 12.505 1.00 0.00 O ATOM 472 CB SER A 30 -10.357 -7.254 12.103 1.00 0.00 C ATOM 473 OG SER A 30 -10.130 -8.655 11.981 1.00 0.00 O ATOM 0 H SER A 30 -10.498 -6.659 9.698 1.00 0.00 H new ATOM 0 HA SER A 30 -9.230 -5.456 11.865 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.380 -6.981 13.158 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.335 -7.008 11.689 1.00 0.00 H new ATOM 0 HG SER A 30 -9.882 -8.867 11.057 1.00 0.00 H new ATOM 479 N ILE A 31 -7.590 -7.900 10.492 1.00 0.00 N ATOM 480 CA ILE A 31 -6.325 -8.616 10.474 1.00 0.00 C ATOM 481 C ILE A 31 -5.182 -7.630 10.729 1.00 0.00 C ATOM 482 O ILE A 31 -5.012 -6.666 9.984 1.00 0.00 O ATOM 483 CB ILE A 31 -6.176 -9.408 9.174 1.00 0.00 C ATOM 484 CG1 ILE A 31 -7.329 -10.399 9.001 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.812 -10.100 9.107 1.00 0.00 C ATOM 486 CD1 ILE A 31 -7.466 -11.303 10.228 1.00 0.00 C ATOM 0 H ILE A 31 -8.177 -8.050 9.671 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.294 -9.355 11.275 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.224 -8.708 8.340 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.260 -9.855 8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.159 -11.008 8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.732 -10.656 8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.021 -9.351 9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.710 -10.786 9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.293 -11.997 10.078 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.543 -11.864 10.371 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.660 -10.693 11.110 1.00 0.00 H new ATOM 498 N GLN A 32 -4.429 -7.907 11.782 1.00 0.00 N ATOM 499 CA GLN A 32 -3.307 -7.057 12.144 1.00 0.00 C ATOM 500 C GLN A 32 -1.995 -7.837 12.041 1.00 0.00 C ATOM 501 O GLN A 32 -1.952 -9.029 12.341 1.00 0.00 O ATOM 502 CB GLN A 32 -3.490 -6.475 13.547 1.00 0.00 C ATOM 503 CG GLN A 32 -2.709 -5.169 13.705 1.00 0.00 C ATOM 504 CD GLN A 32 -1.641 -5.296 14.794 1.00 0.00 C ATOM 505 OE1 GLN A 32 -0.854 -6.227 14.821 1.00 0.00 O ATOM 506 NE2 GLN A 32 -1.659 -4.311 15.686 1.00 0.00 N ATOM 0 H GLN A 32 -4.573 -8.708 12.397 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.267 -6.223 11.443 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.549 -6.295 13.735 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.153 -7.197 14.291 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.238 -4.906 12.758 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.394 -4.359 13.956 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.346 -3.561 15.604 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.986 -4.305 16.452 1.00 0.00 H new ATOM 515 N ALA A 33 -0.956 -7.133 11.614 1.00 0.00 N ATOM 516 CA ALA A 33 0.353 -7.744 11.467 1.00 0.00 C ATOM 517 C ALA A 33 1.422 -6.650 11.435 1.00 0.00 C ATOM 518 O ALA A 33 1.113 -5.483 11.198 1.00 0.00 O ATOM 519 CB ALA A 33 0.373 -8.615 10.209 1.00 0.00 C ATOM 0 H ALA A 33 -0.995 -6.145 11.365 1.00 0.00 H new ATOM 0 HA ALA A 33 0.570 -8.392 12.316 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.356 -9.073 10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.384 -9.395 10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.161 -7.998 9.336 1.00 0.00 H new ATOM 525 N ASP A 34 2.657 -7.066 11.678 1.00 0.00 N ATOM 526 CA ASP A 34 3.772 -6.135 11.680 1.00 0.00 C ATOM 527 C ASP A 34 4.059 -5.685 10.245 1.00 0.00 C ATOM 528 O ASP A 34 3.939 -6.474 9.309 1.00 0.00 O ATOM 529 CB ASP A 34 5.038 -6.795 12.230 1.00 0.00 C ATOM 530 CG ASP A 34 6.004 -5.846 12.944 1.00 0.00 C ATOM 531 OD1 ASP A 34 5.942 -4.620 12.768 1.00 0.00 O ATOM 532 OD2 ASP A 34 6.859 -6.421 13.721 1.00 0.00 O ATOM 0 H ASP A 34 2.909 -8.035 11.875 1.00 0.00 H new ATOM 0 HA ASP A 34 3.503 -5.288 12.311 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.747 -7.583 12.925 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.566 -7.275 11.407 1.00 0.00 H new ATOM 537 N GLY A 35 4.430 -4.420 10.118 1.00 0.00 N ATOM 538 CA GLY A 35 4.734 -3.856 8.814 1.00 0.00 C ATOM 539 C GLY A 35 3.582 -4.089 7.834 1.00 0.00 C ATOM 540 O GLY A 35 3.778 -4.051 6.621 1.00 0.00 O ATOM 0 H GLY A 35 4.527 -3.769 10.897 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.923 -2.787 8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.646 -4.307 8.423 1.00 0.00 H new ATOM 544 N LEU A 36 2.407 -4.326 8.398 1.00 0.00 N ATOM 545 CA LEU A 36 1.224 -4.565 7.589 1.00 0.00 C ATOM 546 C LEU A 36 0.280 -3.366 7.708 1.00 0.00 C ATOM 547 O LEU A 36 -0.041 -2.930 8.813 1.00 0.00 O ATOM 548 CB LEU A 36 0.576 -5.897 7.968 1.00 0.00 C ATOM 549 CG LEU A 36 -0.317 -6.537 6.902 1.00 0.00 C ATOM 550 CD1 LEU A 36 0.351 -7.773 6.297 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.704 -6.852 7.466 1.00 0.00 C ATOM 0 H LEU A 36 2.249 -4.358 9.405 1.00 0.00 H new ATOM 0 HA LEU A 36 1.494 -4.656 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.366 -6.603 8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.019 -5.746 8.869 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.454 -5.818 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.304 -8.208 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.296 -7.487 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.538 -8.506 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.318 -7.306 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.608 -7.544 8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.175 -5.931 7.809 1.00 0.00 H new ATOM 563 N VAL A 37 -0.139 -2.867 6.554 1.00 0.00 N ATOM 564 CA VAL A 37 -1.041 -1.727 6.516 1.00 0.00 C ATOM 565 C VAL A 37 -2.246 -2.066 5.637 1.00 0.00 C ATOM 566 O VAL A 37 -2.087 -2.504 4.499 1.00 0.00 O ATOM 567 CB VAL A 37 -0.288 -0.482 6.042 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.248 0.693 5.840 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.832 -0.115 7.017 1.00 0.00 C ATOM 0 H VAL A 37 0.129 -3.230 5.639 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.418 -1.504 7.514 1.00 0.00 H new ATOM 0 HB VAL A 37 0.169 -0.711 5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.689 1.566 5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.994 0.429 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.746 0.922 6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.351 0.773 6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.407 0.087 8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.537 -0.943 7.090 1.00 0.00 H new ATOM 579 N TRP A 38 -3.427 -1.852 6.200 1.00 0.00 N ATOM 580 CA TRP A 38 -4.659 -2.129 5.483 1.00 0.00 C ATOM 581 C TRP A 38 -5.117 -0.834 4.809 1.00 0.00 C ATOM 582 O TRP A 38 -5.490 0.123 5.486 1.00 0.00 O ATOM 583 CB TRP A 38 -5.716 -2.723 6.417 1.00 0.00 C ATOM 584 CG TRP A 38 -5.599 -4.236 6.609 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.375 -4.909 7.745 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.710 -5.244 5.581 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.333 -6.271 7.527 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.544 -6.481 6.169 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.944 -5.115 4.201 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.594 -7.683 5.453 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.990 -6.324 3.499 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.825 -7.578 4.077 1.00 0.00 C ATOM 0 H TRP A 38 -3.556 -1.490 7.145 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.495 -2.882 4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.640 -2.237 7.390 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.705 -2.493 6.022 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.244 -4.444 8.711 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.176 -6.991 8.232 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.078 -4.157 3.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.461 -8.640 5.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.166 -6.281 2.434 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.875 -8.467 3.466 1.00 0.00 H new ATOM 603 N GLY A 39 -5.072 -0.846 3.485 1.00 0.00 N ATOM 604 CA GLY A 39 -5.477 0.316 2.713 1.00 0.00 C ATOM 605 C GLY A 39 -6.994 0.509 2.767 1.00 0.00 C ATOM 606 O GLY A 39 -7.489 1.367 3.496 1.00 0.00 O ATOM 0 H GLY A 39 -4.761 -1.642 2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.980 1.205 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.159 0.198 1.677 1.00 0.00 H new ATOM 610 N SER A 40 -7.691 -0.303 1.985 1.00 0.00 N ATOM 611 CA SER A 40 -9.141 -0.232 1.935 1.00 0.00 C ATOM 612 C SER A 40 -9.695 -1.416 1.140 1.00 0.00 C ATOM 613 O SER A 40 -9.109 -1.826 0.139 1.00 0.00 O ATOM 614 CB SER A 40 -9.607 1.087 1.316 1.00 0.00 C ATOM 615 OG SER A 40 -10.265 1.920 2.267 1.00 0.00 O ATOM 0 H SER A 40 -7.278 -1.013 1.381 1.00 0.00 H new ATOM 0 HA SER A 40 -9.521 -0.277 2.956 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.749 1.617 0.903 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.283 0.879 0.487 1.00 0.00 H new ATOM 0 HG SER A 40 -9.670 2.081 3.029 1.00 0.00 H new ATOM 621 N SER A 41 -10.819 -1.932 1.616 1.00 0.00 N ATOM 622 CA SER A 41 -11.460 -3.062 0.963 1.00 0.00 C ATOM 623 C SER A 41 -12.654 -2.579 0.138 1.00 0.00 C ATOM 624 O SER A 41 -13.248 -1.547 0.444 1.00 0.00 O ATOM 625 CB SER A 41 -11.907 -4.108 1.985 1.00 0.00 C ATOM 626 OG SER A 41 -12.740 -3.545 2.996 1.00 0.00 O ATOM 0 H SER A 41 -11.302 -1.589 2.446 1.00 0.00 H new ATOM 0 HA SER A 41 -10.734 -3.532 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.446 -4.907 1.475 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.030 -4.560 2.448 1.00 0.00 H new ATOM 0 HG SER A 41 -12.623 -4.043 3.832 1.00 0.00 H new ATOM 632 N LYS A 42 -12.972 -3.351 -0.892 1.00 0.00 N ATOM 633 CA LYS A 42 -14.085 -3.016 -1.763 1.00 0.00 C ATOM 634 C LYS A 42 -14.877 -4.286 -2.081 1.00 0.00 C ATOM 635 O LYS A 42 -14.395 -5.395 -1.859 1.00 0.00 O ATOM 636 CB LYS A 42 -13.589 -2.272 -3.004 1.00 0.00 C ATOM 637 CG LYS A 42 -12.212 -2.782 -3.435 1.00 0.00 C ATOM 638 CD LYS A 42 -12.104 -2.845 -4.961 1.00 0.00 C ATOM 639 CE LYS A 42 -11.237 -1.705 -5.496 1.00 0.00 C ATOM 640 NZ LYS A 42 -10.099 -2.242 -6.277 1.00 0.00 N ATOM 0 H LYS A 42 -12.478 -4.207 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.769 -2.331 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.301 -2.402 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.536 -1.204 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.437 -2.126 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.038 -3.772 -3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.677 -3.802 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.099 -2.788 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.838 -1.047 -6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.865 -1.103 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.520 -1.455 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.517 -2.852 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.460 -2.797 -7.079 1.00 0.00 H new ATOM 654 N LEU A 43 -16.080 -4.079 -2.598 1.00 0.00 N ATOM 655 CA LEU A 43 -16.944 -5.194 -2.950 1.00 0.00 C ATOM 656 C LEU A 43 -17.200 -5.178 -4.458 1.00 0.00 C ATOM 657 O LEU A 43 -17.173 -4.119 -5.085 1.00 0.00 O ATOM 658 CB LEU A 43 -18.221 -5.169 -2.108 1.00 0.00 C ATOM 659 CG LEU A 43 -18.207 -6.027 -0.843 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.705 -7.440 -1.143 1.00 0.00 C ATOM 661 CD2 LEU A 43 -17.395 -5.355 0.267 1.00 0.00 C ATOM 0 H LEU A 43 -16.476 -3.157 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.457 -6.142 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -18.423 -4.137 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.052 -5.494 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.232 -6.119 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.705 -8.029 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.360 -7.911 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.692 -7.389 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.401 -5.986 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.368 -5.212 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.837 -4.388 0.506 1.00 0.00 H new ATOM 673 N VAL A 44 -17.446 -6.363 -4.997 1.00 0.00 N ATOM 674 CA VAL A 44 -17.707 -6.498 -6.420 1.00 0.00 C ATOM 675 C VAL A 44 -18.654 -7.679 -6.650 1.00 0.00 C ATOM 676 O VAL A 44 -18.229 -8.833 -6.626 1.00 0.00 O ATOM 677 CB VAL A 44 -16.389 -6.631 -7.185 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.627 -7.153 -8.603 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.633 -5.301 -7.210 1.00 0.00 C ATOM 0 H VAL A 44 -17.470 -7.238 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.200 -5.605 -6.804 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.770 -7.359 -6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.673 -7.238 -9.124 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.103 -8.132 -8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.275 -6.461 -9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.700 -5.423 -7.760 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.246 -4.543 -7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.414 -4.988 -6.189 1.00 0.00 H new ATOM 689 N PRO A 45 -19.952 -7.341 -6.873 1.00 0.00 N ATOM 690 CA PRO A 45 -20.960 -8.359 -7.108 1.00 0.00 C ATOM 691 C PRO A 45 -20.834 -8.943 -8.516 1.00 0.00 C ATOM 692 O PRO A 45 -20.612 -8.210 -9.479 1.00 0.00 O ATOM 693 CB PRO A 45 -22.289 -7.658 -6.873 1.00 0.00 C ATOM 694 CG PRO A 45 -21.997 -6.169 -6.972 1.00 0.00 C ATOM 695 CD PRO A 45 -20.491 -5.984 -6.910 1.00 0.00 C ATOM 0 HA PRO A 45 -20.853 -9.217 -6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.027 -7.962 -7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.697 -7.912 -5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.393 -5.763 -7.903 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.482 -5.630 -6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -20.123 -5.435 -7.777 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.198 -5.417 -6.026 1.00 0.00 H new ATOM 703 N VAL A 46 -20.981 -10.257 -8.593 1.00 0.00 N ATOM 704 CA VAL A 46 -20.886 -10.948 -9.868 1.00 0.00 C ATOM 705 C VAL A 46 -22.277 -11.044 -10.496 1.00 0.00 C ATOM 706 O VAL A 46 -22.513 -10.501 -11.575 1.00 0.00 O ATOM 707 CB VAL A 46 -20.221 -12.313 -9.675 1.00 0.00 C ATOM 708 CG1 VAL A 46 -20.446 -13.209 -10.894 1.00 0.00 C ATOM 709 CG2 VAL A 46 -18.729 -12.159 -9.375 1.00 0.00 C ATOM 0 H VAL A 46 -21.165 -10.862 -7.793 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.255 -10.389 -10.559 1.00 0.00 H new ATOM 0 HB VAL A 46 -20.687 -12.794 -8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.963 -14.173 -10.731 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -21.515 -13.359 -11.043 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -20.020 -12.735 -11.778 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -18.281 -13.144 -9.242 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -18.242 -11.648 -10.205 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -18.599 -11.576 -8.463 1.00 0.00 H new ATOM 719 N GLY A 47 -23.162 -11.737 -9.795 1.00 0.00 N ATOM 720 CA GLY A 47 -24.523 -11.911 -10.272 1.00 0.00 C ATOM 721 C GLY A 47 -25.474 -10.929 -9.583 1.00 0.00 C ATOM 722 O GLY A 47 -26.107 -10.106 -10.242 1.00 0.00 O ATOM 0 H GLY A 47 -22.963 -12.185 -8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -24.556 -11.759 -11.351 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.851 -12.933 -10.084 1.00 0.00 H new ATOM 726 N TYR A 48 -25.545 -11.049 -8.265 1.00 0.00 N ATOM 727 CA TYR A 48 -26.408 -10.184 -7.479 1.00 0.00 C ATOM 728 C TYR A 48 -26.483 -10.657 -6.026 1.00 0.00 C ATOM 729 O TYR A 48 -26.513 -9.842 -5.106 1.00 0.00 O ATOM 730 CB TYR A 48 -27.797 -10.290 -8.110 1.00 0.00 C ATOM 731 CG TYR A 48 -28.296 -8.986 -8.738 1.00 0.00 C ATOM 732 CD1 TYR A 48 -28.507 -7.875 -7.947 1.00 0.00 C ATOM 733 CD2 TYR A 48 -28.535 -8.923 -10.096 1.00 0.00 C ATOM 734 CE1 TYR A 48 -28.976 -6.649 -8.538 1.00 0.00 C ATOM 735 CE2 TYR A 48 -29.004 -7.696 -10.687 1.00 0.00 C ATOM 736 CZ TYR A 48 -29.202 -6.621 -9.879 1.00 0.00 C ATOM 737 OH TYR A 48 -29.645 -5.462 -10.438 1.00 0.00 O ATOM 0 H TYR A 48 -25.018 -11.733 -7.722 1.00 0.00 H new ATOM 0 HA TYR A 48 -26.027 -9.163 -7.475 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -27.779 -11.066 -8.875 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -28.508 -10.610 -7.348 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -28.320 -7.925 -6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -28.371 -9.793 -10.715 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -29.144 -5.772 -7.931 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -29.194 -7.632 -11.748 1.00 0.00 H new ATOM 0 HH TYR A 48 -29.762 -5.588 -11.403 1.00 0.00 H new ATOM 747 N GLY A 49 -26.511 -11.972 -5.866 1.00 0.00 N ATOM 748 CA GLY A 49 -26.582 -12.563 -4.541 1.00 0.00 C ATOM 749 C GLY A 49 -25.201 -12.605 -3.884 1.00 0.00 C ATOM 750 O GLY A 49 -25.010 -12.065 -2.796 1.00 0.00 O ATOM 0 H GLY A 49 -26.486 -12.645 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.267 -11.988 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -26.986 -13.573 -4.611 1.00 0.00 H new ATOM 754 N ILE A 50 -24.273 -13.253 -4.574 1.00 0.00 N ATOM 755 CA ILE A 50 -22.915 -13.373 -4.071 1.00 0.00 C ATOM 756 C ILE A 50 -22.112 -12.137 -4.483 1.00 0.00 C ATOM 757 O ILE A 50 -22.527 -11.389 -5.368 1.00 0.00 O ATOM 758 CB ILE A 50 -22.289 -14.691 -4.529 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.754 -15.854 -3.649 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.763 -14.586 -4.578 1.00 0.00 C ATOM 761 CD1 ILE A 50 -23.830 -16.680 -4.357 1.00 0.00 C ATOM 0 H ILE A 50 -24.435 -13.700 -5.476 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.914 -13.407 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.631 -14.897 -5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -21.904 -16.491 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.147 -15.469 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.343 -15.537 -4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.475 -13.801 -5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.383 -14.345 -3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.143 -17.500 -3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.688 -16.046 -4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.426 -17.084 -5.286 1.00 0.00 H new ATOM 773 N LYS A 51 -20.979 -11.959 -3.820 1.00 0.00 N ATOM 774 CA LYS A 51 -20.115 -10.826 -4.106 1.00 0.00 C ATOM 775 C LYS A 51 -18.654 -11.274 -4.034 1.00 0.00 C ATOM 776 O LYS A 51 -18.345 -12.309 -3.446 1.00 0.00 O ATOM 777 CB LYS A 51 -20.444 -9.654 -3.179 1.00 0.00 C ATOM 778 CG LYS A 51 -21.632 -8.851 -3.712 1.00 0.00 C ATOM 779 CD LYS A 51 -22.761 -8.790 -2.681 1.00 0.00 C ATOM 780 CE LYS A 51 -24.018 -8.156 -3.280 1.00 0.00 C ATOM 781 NZ LYS A 51 -24.096 -6.723 -2.923 1.00 0.00 N ATOM 0 H LYS A 51 -20.639 -12.580 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.288 -10.461 -5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.672 -10.028 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.574 -9.004 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.309 -7.841 -3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.999 -9.306 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.990 -9.795 -2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.436 -8.214 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.007 -8.267 -4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.904 -8.676 -2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.955 -6.308 -3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.129 -6.624 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.259 -6.227 -3.292 1.00 0.00 H new ATOM 795 N LYS A 52 -17.792 -10.471 -4.643 1.00 0.00 N ATOM 796 CA LYS A 52 -16.371 -10.773 -4.656 1.00 0.00 C ATOM 797 C LYS A 52 -15.720 -10.193 -3.398 1.00 0.00 C ATOM 798 O LYS A 52 -16.023 -9.071 -2.999 1.00 0.00 O ATOM 799 CB LYS A 52 -15.732 -10.285 -5.959 1.00 0.00 C ATOM 800 CG LYS A 52 -14.207 -10.240 -5.838 1.00 0.00 C ATOM 801 CD LYS A 52 -13.541 -10.837 -7.079 1.00 0.00 C ATOM 802 CE LYS A 52 -13.244 -9.752 -8.117 1.00 0.00 C ATOM 803 NZ LYS A 52 -14.035 -9.980 -9.346 1.00 0.00 N ATOM 0 H LYS A 52 -18.051 -9.613 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.210 -11.851 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.016 -10.946 -6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.110 -9.293 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.879 -9.209 -5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.892 -10.791 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.615 -11.336 -6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.191 -11.595 -7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.478 -8.771 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.181 -9.751 -8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.821 -9.235 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.792 -10.908 -9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.049 -9.958 -9.115 1.00 0.00 H new ATOM 817 N LEU A 53 -14.837 -10.987 -2.810 1.00 0.00 N ATOM 818 CA LEU A 53 -14.140 -10.567 -1.605 1.00 0.00 C ATOM 819 C LEU A 53 -12.776 -9.989 -1.986 1.00 0.00 C ATOM 820 O LEU A 53 -11.760 -10.676 -1.901 1.00 0.00 O ATOM 821 CB LEU A 53 -14.060 -11.721 -0.603 1.00 0.00 C ATOM 822 CG LEU A 53 -14.524 -11.405 0.820 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.582 -10.407 1.495 1.00 0.00 C ATOM 824 CD2 LEU A 53 -15.975 -10.920 0.831 1.00 0.00 C ATOM 0 H LEU A 53 -14.588 -11.918 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.694 -9.775 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.658 -12.549 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.027 -12.067 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 53 -14.489 -12.326 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.935 -10.200 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.578 -10.828 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.561 -9.481 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.278 -10.703 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.061 -10.016 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.621 -11.695 0.418 1.00 0.00 H new ATOM 836 N GLN A 54 -12.797 -8.729 -2.397 1.00 0.00 N ATOM 837 CA GLN A 54 -11.574 -8.049 -2.791 1.00 0.00 C ATOM 838 C GLN A 54 -11.176 -7.019 -1.732 1.00 0.00 C ATOM 839 O GLN A 54 -12.027 -6.310 -1.199 1.00 0.00 O ATOM 840 CB GLN A 54 -11.730 -7.393 -4.164 1.00 0.00 C ATOM 841 CG GLN A 54 -10.541 -6.481 -4.473 1.00 0.00 C ATOM 842 CD GLN A 54 -9.963 -6.785 -5.857 1.00 0.00 C ATOM 843 OE1 GLN A 54 -9.186 -7.707 -6.044 1.00 0.00 O ATOM 844 NE2 GLN A 54 -10.381 -5.959 -6.811 1.00 0.00 N ATOM 0 H GLN A 54 -13.642 -8.161 -2.466 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.777 -8.789 -2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.812 -8.162 -4.932 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.654 -6.815 -4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.856 -5.439 -4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.769 -6.614 -3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.033 -5.207 -6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.050 -6.077 -7.769 1.00 0.00 H new ATOM 853 N ILE A 55 -9.880 -6.969 -1.460 1.00 0.00 N ATOM 854 CA ILE A 55 -9.358 -6.038 -0.476 1.00 0.00 C ATOM 855 C ILE A 55 -7.920 -5.664 -0.843 1.00 0.00 C ATOM 856 O ILE A 55 -7.174 -6.494 -1.361 1.00 0.00 O ATOM 857 CB ILE A 55 -9.501 -6.613 0.936 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.302 -7.494 1.293 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.828 -7.358 1.091 1.00 0.00 C ATOM 860 CD1 ILE A 55 -8.400 -8.857 0.605 1.00 0.00 C ATOM 0 H ILE A 55 -9.176 -7.559 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.939 -5.116 -0.481 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.512 -5.784 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.379 -6.997 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.255 -7.630 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.905 -7.757 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.654 -6.671 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.871 -8.177 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.536 -9.464 0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.312 -9.361 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.422 -8.718 -0.476 1.00 0.00 H new ATOM 872 N GLN A 56 -7.576 -4.417 -0.562 1.00 0.00 N ATOM 873 CA GLN A 56 -6.241 -3.924 -0.859 1.00 0.00 C ATOM 874 C GLN A 56 -5.458 -3.701 0.438 1.00 0.00 C ATOM 875 O GLN A 56 -6.026 -3.287 1.446 1.00 0.00 O ATOM 876 CB GLN A 56 -6.302 -2.641 -1.689 1.00 0.00 C ATOM 877 CG GLN A 56 -4.896 -2.121 -1.998 1.00 0.00 C ATOM 878 CD GLN A 56 -4.238 -2.943 -3.108 1.00 0.00 C ATOM 879 OE1 GLN A 56 -4.738 -3.051 -4.215 1.00 0.00 O ATOM 880 NE2 GLN A 56 -3.092 -3.516 -2.749 1.00 0.00 N ATOM 0 H GLN A 56 -8.198 -3.732 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.720 -4.676 -1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.836 -2.831 -2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.864 -1.880 -1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.950 -1.075 -2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.283 -2.163 -1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.730 -3.384 -1.805 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.576 -4.087 -3.418 1.00 0.00 H new ATOM 889 N CYS A 57 -4.166 -3.987 0.368 1.00 0.00 N ATOM 890 CA CYS A 57 -3.300 -3.822 1.523 1.00 0.00 C ATOM 891 C CYS A 57 -1.987 -3.194 1.052 1.00 0.00 C ATOM 892 O CYS A 57 -1.667 -3.230 -0.135 1.00 0.00 O ATOM 893 CB CYS A 57 -3.070 -5.149 2.250 1.00 0.00 C ATOM 894 SG CYS A 57 -3.032 -6.525 1.045 1.00 0.00 S ATOM 0 H CYS A 57 -3.698 -4.332 -0.470 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.777 -3.163 2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.131 -5.112 2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.863 -5.315 2.980 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.848 -6.050 -0.151 1.00 0.00 H new ATOM 900 N VAL A 58 -1.261 -2.634 2.008 1.00 0.00 N ATOM 901 CA VAL A 58 0.011 -1.998 1.707 1.00 0.00 C ATOM 902 C VAL A 58 1.130 -2.733 2.446 1.00 0.00 C ATOM 903 O VAL A 58 1.582 -2.285 3.500 1.00 0.00 O ATOM 904 CB VAL A 58 -0.054 -0.508 2.049 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.253 0.196 1.684 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.247 0.160 1.362 1.00 0.00 C ATOM 0 H VAL A 58 -1.529 -2.607 2.992 1.00 0.00 H new ATOM 0 HA VAL A 58 0.228 -2.063 0.641 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.193 -0.417 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.180 1.254 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.076 -0.254 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.436 0.091 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.270 1.218 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.151 0.053 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.170 -0.315 1.693 1.00 0.00 H new ATOM 916 N VAL A 59 1.548 -3.849 1.865 1.00 0.00 N ATOM 917 CA VAL A 59 2.606 -4.649 2.455 1.00 0.00 C ATOM 918 C VAL A 59 3.964 -4.088 2.027 1.00 0.00 C ATOM 919 O VAL A 59 4.030 -3.159 1.223 1.00 0.00 O ATOM 920 CB VAL A 59 2.422 -6.120 2.079 1.00 0.00 C ATOM 921 CG1 VAL A 59 0.966 -6.554 2.258 1.00 0.00 C ATOM 922 CG2 VAL A 59 2.901 -6.384 0.650 1.00 0.00 C ATOM 0 H VAL A 59 1.172 -4.217 0.991 1.00 0.00 H new ATOM 0 HA VAL A 59 2.561 -4.597 3.543 1.00 0.00 H new ATOM 0 HB VAL A 59 3.035 -6.718 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.863 -7.604 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.672 -6.420 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.324 -5.947 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.759 -7.437 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.327 -5.771 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.958 -6.132 0.568 1.00 0.00 H new ATOM 932 N GLU A 60 5.014 -4.675 2.583 1.00 0.00 N ATOM 933 CA GLU A 60 6.365 -4.246 2.269 1.00 0.00 C ATOM 934 C GLU A 60 6.853 -4.924 0.986 1.00 0.00 C ATOM 935 O GLU A 60 6.090 -5.623 0.322 1.00 0.00 O ATOM 936 CB GLU A 60 7.315 -4.530 3.434 1.00 0.00 C ATOM 937 CG GLU A 60 7.696 -3.237 4.159 1.00 0.00 C ATOM 938 CD GLU A 60 8.985 -2.645 3.586 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.907 -3.506 3.318 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.083 -1.421 3.415 1.00 0.00 O ATOM 0 H GLU A 60 4.955 -5.445 3.250 1.00 0.00 H new ATOM 0 HA GLU A 60 6.354 -3.168 2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.842 -5.218 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.214 -5.022 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.887 -2.513 4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.825 -3.437 5.223 1.00 0.00 H new ATOM 947 N ASP A 61 8.120 -4.691 0.677 1.00 0.00 N ATOM 948 CA ASP A 61 8.718 -5.269 -0.514 1.00 0.00 C ATOM 949 C ASP A 61 9.210 -6.682 -0.197 1.00 0.00 C ATOM 950 O ASP A 61 8.959 -7.616 -0.958 1.00 0.00 O ATOM 951 CB ASP A 61 9.917 -4.444 -0.984 1.00 0.00 C ATOM 952 CG ASP A 61 10.931 -5.208 -1.839 1.00 0.00 C ATOM 953 OD1 ASP A 61 10.485 -5.620 -2.977 1.00 0.00 O ATOM 954 OD2 ASP A 61 12.090 -5.399 -1.439 1.00 0.00 O ATOM 0 H ASP A 61 8.749 -4.110 1.231 1.00 0.00 H new ATOM 0 HA ASP A 61 7.962 -5.284 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.551 -3.591 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.430 -4.044 -0.109 1.00 0.00 H new ATOM 959 N ASP A 62 9.903 -6.796 0.927 1.00 0.00 N ATOM 960 CA ASP A 62 10.432 -8.079 1.354 1.00 0.00 C ATOM 961 C ASP A 62 10.414 -8.151 2.882 1.00 0.00 C ATOM 962 O ASP A 62 11.208 -8.873 3.483 1.00 0.00 O ATOM 963 CB ASP A 62 11.878 -8.260 0.890 1.00 0.00 C ATOM 964 CG ASP A 62 12.248 -9.682 0.463 1.00 0.00 C ATOM 965 OD1 ASP A 62 12.489 -10.559 1.308 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.284 -9.878 -0.811 1.00 0.00 O ATOM 0 H ASP A 62 10.110 -6.019 1.555 1.00 0.00 H new ATOM 0 HA ASP A 62 9.812 -8.861 0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.062 -7.586 0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.544 -7.955 1.697 1.00 0.00 H new ATOM 971 N LYS A 63 9.501 -7.391 3.467 1.00 0.00 N ATOM 972 CA LYS A 63 9.368 -7.359 4.914 1.00 0.00 C ATOM 973 C LYS A 63 8.267 -8.330 5.343 1.00 0.00 C ATOM 974 O LYS A 63 8.546 -9.367 5.942 1.00 0.00 O ATOM 975 CB LYS A 63 9.148 -5.925 5.401 1.00 0.00 C ATOM 976 CG LYS A 63 9.941 -5.652 6.680 1.00 0.00 C ATOM 977 CD LYS A 63 9.292 -4.535 7.501 1.00 0.00 C ATOM 978 CE LYS A 63 10.050 -3.218 7.329 1.00 0.00 C ATOM 979 NZ LYS A 63 9.290 -2.100 7.931 1.00 0.00 N ATOM 0 H LYS A 63 8.845 -6.792 2.965 1.00 0.00 H new ATOM 0 HA LYS A 63 10.291 -7.694 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.451 -5.223 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.087 -5.758 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.998 -6.562 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.964 -5.374 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.255 -4.405 7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.276 -4.815 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.031 -3.292 7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.217 -3.023 6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.819 -1.213 7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.364 -2.020 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.153 -2.280 8.946 1.00 0.00 H new ATOM 993 N VAL A 64 7.036 -7.959 5.019 1.00 0.00 N ATOM 994 CA VAL A 64 5.891 -8.785 5.364 1.00 0.00 C ATOM 995 C VAL A 64 5.338 -9.436 4.095 1.00 0.00 C ATOM 996 O VAL A 64 5.351 -8.829 3.025 1.00 0.00 O ATOM 997 CB VAL A 64 4.849 -7.949 6.110 1.00 0.00 C ATOM 998 CG1 VAL A 64 3.854 -7.315 5.136 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.125 -8.789 7.164 1.00 0.00 C ATOM 0 H VAL A 64 6.807 -7.098 4.522 1.00 0.00 H new ATOM 0 HA VAL A 64 6.188 -9.588 6.039 1.00 0.00 H new ATOM 0 HB VAL A 64 5.373 -7.143 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.125 -6.727 5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.388 -6.668 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.339 -8.099 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.390 -8.171 7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.620 -9.625 6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.848 -9.170 7.885 1.00 0.00 H new ATOM 1009 N GLY A 65 4.864 -10.662 4.256 1.00 0.00 N ATOM 1010 CA GLY A 65 4.306 -11.403 3.137 1.00 0.00 C ATOM 1011 C GLY A 65 2.794 -11.577 3.293 1.00 0.00 C ATOM 1012 O GLY A 65 2.259 -11.430 4.391 1.00 0.00 O ATOM 0 H GLY A 65 4.855 -11.162 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.521 -10.879 2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.783 -12.381 3.070 1.00 0.00 H new ATOM 1016 N THR A 66 2.148 -11.886 2.178 1.00 0.00 N ATOM 1017 CA THR A 66 0.708 -12.081 2.177 1.00 0.00 C ATOM 1018 C THR A 66 0.352 -13.429 2.807 1.00 0.00 C ATOM 1019 O THR A 66 -0.772 -13.628 3.264 1.00 0.00 O ATOM 1020 CB THR A 66 0.213 -11.934 0.737 1.00 0.00 C ATOM 1021 OG1 THR A 66 0.046 -10.529 0.570 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.195 -12.502 0.542 1.00 0.00 C ATOM 0 H THR A 66 2.595 -12.006 1.269 1.00 0.00 H new ATOM 0 HA THR A 66 0.206 -11.330 2.787 1.00 0.00 H new ATOM 0 HB THR A 66 0.905 -12.437 0.061 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.625 -10.215 -0.156 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.499 -12.373 -0.497 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.197 -13.563 0.791 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.893 -11.975 1.193 1.00 0.00 H new ATOM 1030 N ASP A 67 1.332 -14.322 2.812 1.00 0.00 N ATOM 1031 CA ASP A 67 1.137 -15.645 3.379 1.00 0.00 C ATOM 1032 C ASP A 67 0.359 -15.524 4.691 1.00 0.00 C ATOM 1033 O ASP A 67 -0.695 -16.138 4.851 1.00 0.00 O ATOM 1034 CB ASP A 67 2.477 -16.317 3.685 1.00 0.00 C ATOM 1035 CG ASP A 67 3.545 -15.391 4.272 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.143 -14.573 3.557 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.759 -15.536 5.536 1.00 0.00 O ATOM 0 H ASP A 67 2.264 -14.154 2.432 1.00 0.00 H new ATOM 0 HA ASP A 67 0.590 -16.245 2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.305 -17.136 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.864 -16.757 2.766 1.00 0.00 H new ATOM 1042 N MET A 68 0.907 -14.727 5.596 1.00 0.00 N ATOM 1043 CA MET A 68 0.278 -14.517 6.889 1.00 0.00 C ATOM 1044 C MET A 68 -1.181 -14.084 6.724 1.00 0.00 C ATOM 1045 O MET A 68 -2.052 -14.528 7.471 1.00 0.00 O ATOM 1046 CB MET A 68 1.045 -13.443 7.662 1.00 0.00 C ATOM 1047 CG MET A 68 1.293 -13.879 9.108 1.00 0.00 C ATOM 1048 SD MET A 68 0.909 -12.541 10.224 1.00 0.00 S ATOM 1049 CE MET A 68 -0.808 -12.278 9.814 1.00 0.00 C ATOM 0 H MET A 68 1.781 -14.218 5.459 1.00 0.00 H new ATOM 0 HA MET A 68 0.299 -15.457 7.440 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.997 -13.246 7.170 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.481 -12.510 7.651 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.679 -14.748 9.345 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.333 -14.180 9.232 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.350 -11.961 10.705 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.885 -11.506 9.048 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.239 -13.206 9.439 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.402 -13.224 5.741 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.741 -12.727 5.469 1.00 0.00 C ATOM 1061 C LEU A 69 -3.617 -13.879 4.974 1.00 0.00 C ATOM 1062 O LEU A 69 -4.760 -14.023 5.405 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.685 -11.539 4.507 1.00 0.00 C ATOM 1064 CG LEU A 69 -2.269 -10.200 5.118 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -2.299 -9.085 4.070 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -3.130 -9.862 6.337 1.00 0.00 C ATOM 0 H LEU A 69 -0.677 -12.859 5.123 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.200 -12.347 6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.990 -11.781 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.668 -11.418 4.052 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.239 -10.289 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.999 -8.144 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.611 -9.328 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.309 -8.988 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.813 -8.905 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.176 -9.799 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.015 -10.641 7.091 1.00 0.00 H new ATOM 1078 N GLU A 70 -3.048 -14.670 4.075 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.764 -15.805 3.518 1.00 0.00 C ATOM 1080 C GLU A 70 -4.016 -16.857 4.599 1.00 0.00 C ATOM 1081 O GLU A 70 -5.115 -17.402 4.696 1.00 0.00 O ATOM 1082 CB GLU A 70 -3.001 -16.406 2.336 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.938 -17.202 1.426 1.00 0.00 C ATOM 1084 CD GLU A 70 -3.150 -17.973 0.365 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -2.230 -17.415 -0.251 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -3.520 -19.197 0.193 1.00 0.00 O ATOM 0 H GLU A 70 -2.100 -14.547 3.719 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.728 -15.456 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.523 -15.610 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.207 -17.056 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.526 -17.898 2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.641 -16.525 0.941 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.981 -17.111 5.387 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.078 -18.087 6.458 1.00 0.00 C ATOM 1095 C GLU A 71 -3.885 -17.516 7.626 1.00 0.00 C ATOM 1096 O GLU A 71 -4.105 -18.199 8.626 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.690 -18.535 6.918 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.147 -17.609 8.008 1.00 0.00 C ATOM 1099 CD GLU A 71 0.343 -17.857 8.248 1.00 0.00 C ATOM 1100 OE1 GLU A 71 1.097 -18.078 7.288 1.00 0.00 O ATOM 1101 OE2 GLU A 71 0.713 -17.812 9.483 1.00 0.00 O ATOM 0 H GLU A 71 -2.071 -16.657 5.305 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.600 -18.965 6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.740 -19.556 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.007 -18.543 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.304 -16.570 7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.699 -17.769 8.934 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.304 -16.270 7.461 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.081 -15.600 8.490 1.00 0.00 C ATOM 1110 C GLN A 72 -6.522 -15.395 8.016 1.00 0.00 C ATOM 1111 O GLN A 72 -7.467 -15.712 8.737 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.438 -14.269 8.883 1.00 0.00 C ATOM 1113 CG GLN A 72 -5.248 -13.570 9.977 1.00 0.00 C ATOM 1114 CD GLN A 72 -4.647 -13.835 11.359 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.680 -14.564 11.514 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -5.269 -13.204 12.351 1.00 0.00 N ATOM 0 H GLN A 72 -4.120 -15.707 6.631 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.097 -16.233 9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.421 -14.442 9.233 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.368 -13.623 8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.272 -12.497 9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.279 -13.922 9.952 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.073 -12.608 12.152 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.942 -13.316 13.311 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.644 -14.864 6.809 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.953 -14.611 6.230 1.00 0.00 C ATOM 1127 C ILE A 73 -8.576 -15.938 5.793 1.00 0.00 C ATOM 1128 O ILE A 73 -9.602 -16.354 6.331 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.853 -13.579 5.106 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -7.235 -12.274 5.613 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -9.215 -13.351 4.449 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -6.691 -11.438 4.453 1.00 0.00 C ATOM 0 H ILE A 73 -5.857 -14.602 6.215 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.620 -14.173 6.973 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.187 -13.973 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.984 -11.701 6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.431 -12.497 6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.116 -12.613 3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.579 -14.289 4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.922 -12.988 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.257 -10.516 4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.925 -12.005 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.503 -11.197 3.767 1.00 0.00 H new ATOM 1144 N THR A 74 -7.932 -16.568 4.821 1.00 0.00 N ATOM 1145 CA THR A 74 -8.410 -17.839 4.305 1.00 0.00 C ATOM 1146 C THR A 74 -8.542 -18.858 5.439 1.00 0.00 C ATOM 1147 O THR A 74 -9.321 -19.804 5.339 1.00 0.00 O ATOM 1148 CB THR A 74 -7.458 -18.286 3.194 1.00 0.00 C ATOM 1149 OG1 THR A 74 -8.304 -18.947 2.257 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.490 -19.377 3.656 1.00 0.00 C ATOM 0 H THR A 74 -7.082 -16.221 4.377 1.00 0.00 H new ATOM 0 HA THR A 74 -9.408 -17.743 3.878 1.00 0.00 H new ATOM 0 HB THR A 74 -6.892 -17.427 2.834 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.768 -19.268 1.502 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.837 -19.658 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.887 -19.002 4.483 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.055 -20.249 3.985 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.768 -18.630 6.490 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.789 -19.517 7.641 1.00 0.00 C ATOM 1160 C ALA A 75 -9.231 -19.949 7.920 1.00 0.00 C ATOM 1161 O ALA A 75 -9.469 -21.060 8.391 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.149 -18.814 8.840 1.00 0.00 C ATOM 0 H ALA A 75 -7.123 -17.844 6.569 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.207 -20.417 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.165 -19.480 9.703 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.118 -18.554 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.708 -17.907 9.071 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.154 -19.048 7.617 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.565 -19.322 7.830 1.00 0.00 C ATOM 1170 C PHE A 76 -12.164 -20.069 6.636 1.00 0.00 C ATOM 1171 O PHE A 76 -12.901 -19.486 5.841 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.266 -17.970 7.975 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.671 -17.630 9.411 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.256 -18.575 10.195 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.446 -16.383 9.904 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.632 -18.260 11.526 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.821 -16.067 11.236 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.407 -17.013 12.020 1.00 0.00 C ATOM 0 H PHE A 76 -9.952 -18.128 7.226 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.694 -19.944 8.716 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.606 -17.188 7.600 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.156 -17.965 7.346 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.434 -19.566 9.804 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.982 -15.632 9.282 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.097 -19.011 12.147 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.641 -15.077 11.627 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.693 -16.773 13.034 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.826 -21.346 6.548 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.322 -22.178 5.465 1.00 0.00 C ATOM 1190 C GLU A 77 -13.847 -22.286 5.533 1.00 0.00 C ATOM 1191 O GLU A 77 -14.484 -22.735 4.582 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.673 -23.563 5.495 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.253 -23.940 6.918 1.00 0.00 C ATOM 1194 CD GLU A 77 -11.158 -25.459 7.078 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -10.042 -25.979 6.695 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -12.116 -26.094 7.545 1.00 0.00 O ATOM 0 H GLU A 77 -11.215 -21.826 7.209 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.052 -21.707 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.372 -24.305 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.802 -23.575 4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.290 -23.486 7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.973 -23.540 7.632 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.388 -21.866 6.668 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.826 -21.910 6.873 1.00 0.00 C ATOM 1205 C ASP A 78 -16.461 -20.659 6.261 1.00 0.00 C ATOM 1206 O ASP A 78 -17.653 -20.413 6.443 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.169 -21.935 8.363 1.00 0.00 C ATOM 1208 CG ASP A 78 -16.714 -23.268 8.880 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -16.070 -24.318 8.740 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -17.867 -23.200 9.454 1.00 0.00 O ATOM 0 H ASP A 78 -13.856 -21.494 7.455 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.208 -22.815 6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.274 -21.681 8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.905 -21.157 8.564 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.639 -19.904 5.549 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.106 -18.686 4.910 1.00 0.00 C ATOM 1217 C TYR A 79 -15.385 -18.453 3.581 1.00 0.00 C ATOM 1218 O TYR A 79 -16.013 -18.103 2.582 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.761 -17.546 5.871 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.592 -17.541 7.154 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -17.809 -16.892 7.185 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -16.125 -18.185 8.282 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -18.593 -16.887 8.393 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -16.908 -18.180 9.491 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.104 -17.531 9.486 1.00 0.00 C ATOM 1226 OH TYR A 79 -18.843 -17.526 10.628 1.00 0.00 O ATOM 0 H TYR A 79 -14.652 -20.112 5.400 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.174 -18.748 4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.705 -17.613 6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.901 -16.596 5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -18.174 -16.387 6.303 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -15.172 -18.693 8.258 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -19.548 -16.383 8.430 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -16.554 -18.680 10.381 1.00 0.00 H new ATOM 0 HH TYR A 79 -18.370 -18.026 11.326 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.076 -18.656 3.610 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.262 -18.473 2.420 1.00 0.00 C ATOM 1238 C VAL A 80 -13.301 -19.751 1.580 1.00 0.00 C ATOM 1239 O VAL A 80 -13.077 -20.844 2.096 1.00 0.00 O ATOM 1240 CB VAL A 80 -11.843 -18.059 2.815 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -10.905 -18.098 1.608 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.838 -16.676 3.469 1.00 0.00 C ATOM 0 H VAL A 80 -13.558 -18.946 4.440 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.661 -17.667 1.804 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.476 -18.777 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.903 -17.799 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.874 -19.110 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.269 -17.413 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.818 -16.405 3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.234 -15.941 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.459 -16.695 4.365 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.586 -19.569 0.298 1.00 0.00 N ATOM 1253 CA GLN A 81 -13.656 -20.693 -0.619 1.00 0.00 C ATOM 1254 C GLN A 81 -12.260 -21.039 -1.143 1.00 0.00 C ATOM 1255 O GLN A 81 -11.944 -22.211 -1.350 1.00 0.00 O ATOM 1256 CB GLN A 81 -14.616 -20.401 -1.773 1.00 0.00 C ATOM 1257 CG GLN A 81 -14.795 -21.631 -2.664 1.00 0.00 C ATOM 1258 CD GLN A 81 -14.990 -21.226 -4.126 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -16.095 -21.174 -4.641 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -13.858 -20.943 -4.765 1.00 0.00 N ATOM 0 H GLN A 81 -13.771 -18.660 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.044 -21.555 -0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.583 -20.091 -1.376 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.234 -19.570 -2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.923 -22.278 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.656 -22.208 -2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.966 -21.006 -4.275 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.882 -20.662 -5.745 1.00 0.00 H new ATOM 1269 N SER A 82 -11.463 -20.001 -1.341 1.00 0.00 N ATOM 1270 CA SER A 82 -10.108 -20.180 -1.835 1.00 0.00 C ATOM 1271 C SER A 82 -9.502 -18.824 -2.203 1.00 0.00 C ATOM 1272 O SER A 82 -9.974 -18.158 -3.122 1.00 0.00 O ATOM 1273 CB SER A 82 -10.083 -21.118 -3.044 1.00 0.00 C ATOM 1274 OG SER A 82 -9.936 -22.482 -2.659 1.00 0.00 O ATOM 0 H SER A 82 -11.729 -19.032 -1.168 1.00 0.00 H new ATOM 0 HA SER A 82 -9.512 -20.634 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.005 -21.000 -3.614 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.262 -20.837 -3.704 1.00 0.00 H new ATOM 0 HG SER A 82 -10.509 -22.667 -1.886 1.00 0.00 H new ATOM 1280 N MET A 83 -8.463 -18.458 -1.466 1.00 0.00 N ATOM 1281 CA MET A 83 -7.786 -17.194 -1.703 1.00 0.00 C ATOM 1282 C MET A 83 -6.910 -17.268 -2.955 1.00 0.00 C ATOM 1283 O MET A 83 -6.447 -18.344 -3.331 1.00 0.00 O ATOM 1284 CB MET A 83 -6.920 -16.844 -0.492 1.00 0.00 C ATOM 1285 CG MET A 83 -6.140 -15.550 -0.731 1.00 0.00 C ATOM 1286 SD MET A 83 -4.611 -15.907 -1.583 1.00 0.00 S ATOM 1287 CE MET A 83 -3.514 -14.784 -0.733 1.00 0.00 C ATOM 0 H MET A 83 -8.074 -19.014 -0.705 1.00 0.00 H new ATOM 0 HA MET A 83 -8.540 -16.422 -1.856 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.550 -16.735 0.391 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.225 -17.659 -0.289 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.741 -14.857 -1.320 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.930 -15.061 0.220 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.523 -15.231 -0.658 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.449 -13.848 -1.289 1.00 0.00 H new ATOM 0 HE3 MET A 83 -3.899 -14.586 0.267 1.00 0.00 H new ATOM 1297 N ASP A 84 -6.706 -16.109 -3.565 1.00 0.00 N ATOM 1298 CA ASP A 84 -5.894 -16.029 -4.766 1.00 0.00 C ATOM 1299 C ASP A 84 -5.186 -14.673 -4.808 1.00 0.00 C ATOM 1300 O ASP A 84 -5.266 -13.897 -3.856 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.756 -16.151 -6.024 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.014 -17.585 -6.494 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -7.289 -18.483 -5.684 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -6.921 -17.766 -7.768 1.00 0.00 O ATOM 0 H ASP A 84 -7.089 -15.218 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.175 -16.848 -4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.715 -15.668 -5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.273 -15.601 -6.832 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.510 -14.429 -5.920 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.789 -13.179 -6.099 1.00 0.00 C ATOM 1311 C VAL A 85 -4.443 -12.375 -7.223 1.00 0.00 C ATOM 1312 O VAL A 85 -4.666 -12.894 -8.316 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.306 -13.462 -6.350 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -1.544 -12.170 -6.649 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.681 -14.206 -5.168 1.00 0.00 C ATOM 0 H VAL A 85 -4.446 -15.075 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.842 -12.574 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.232 -14.105 -7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.493 -12.400 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.964 -11.697 -7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.631 -11.491 -5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.627 -14.394 -5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.773 -13.600 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.197 -15.155 -5.021 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.732 -11.118 -6.918 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.356 -10.235 -7.889 1.00 0.00 C ATOM 1327 C ALA A 86 -4.269 -9.543 -8.714 1.00 0.00 C ATOM 1328 O ALA A 86 -4.477 -9.235 -9.888 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.262 -9.238 -7.165 1.00 0.00 C ATOM 0 H ALA A 86 -4.545 -10.690 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.982 -10.803 -8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.730 -8.576 -7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.034 -9.779 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.669 -8.648 -6.467 1.00 0.00 H new ATOM 1335 N ALA A 87 -3.134 -9.318 -8.069 1.00 0.00 N ATOM 1336 CA ALA A 87 -2.015 -8.668 -8.729 1.00 0.00 C ATOM 1337 C ALA A 87 -0.852 -8.540 -7.744 1.00 0.00 C ATOM 1338 O ALA A 87 -1.013 -8.794 -6.550 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.464 -7.313 -9.280 1.00 0.00 C ATOM 0 H ALA A 87 -2.965 -9.574 -7.096 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.668 -9.264 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.624 -6.825 -9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.272 -7.461 -9.997 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.816 -6.686 -8.461 1.00 0.00 H new ATOM 1345 N PHE A 88 0.294 -8.145 -8.278 1.00 0.00 N ATOM 1346 CA PHE A 88 1.484 -7.980 -7.460 1.00 0.00 C ATOM 1347 C PHE A 88 2.378 -6.868 -8.011 1.00 0.00 C ATOM 1348 O PHE A 88 3.190 -7.104 -8.904 1.00 0.00 O ATOM 1349 CB PHE A 88 2.248 -9.304 -7.510 1.00 0.00 C ATOM 1350 CG PHE A 88 2.481 -9.942 -6.139 1.00 0.00 C ATOM 1351 CD1 PHE A 88 1.433 -10.458 -5.443 1.00 0.00 C ATOM 1352 CD2 PHE A 88 3.734 -9.991 -5.615 1.00 0.00 C ATOM 1353 CE1 PHE A 88 1.647 -11.050 -4.170 1.00 0.00 C ATOM 1354 CE2 PHE A 88 3.950 -10.582 -4.342 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.902 -11.099 -3.647 1.00 0.00 C ATOM 0 H PHE A 88 0.424 -7.934 -9.267 1.00 0.00 H new ATOM 0 HA PHE A 88 1.201 -7.711 -6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.697 -10.006 -8.137 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.212 -9.137 -7.990 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.437 -10.418 -5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.566 -9.580 -6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.815 -11.461 -3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.946 -10.621 -3.926 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.066 -11.549 -2.679 1.00 0.00 H new ATOM 1365 N ASN A 89 2.199 -5.678 -7.455 1.00 0.00 N ATOM 1366 CA ASN A 89 2.979 -4.529 -7.879 1.00 0.00 C ATOM 1367 C ASN A 89 3.347 -3.688 -6.656 1.00 0.00 C ATOM 1368 O ASN A 89 3.017 -4.050 -5.528 1.00 0.00 O ATOM 1369 CB ASN A 89 2.180 -3.644 -8.838 1.00 0.00 C ATOM 1370 CG ASN A 89 2.428 -4.047 -10.293 1.00 0.00 C ATOM 1371 OD1 ASN A 89 2.634 -5.205 -10.616 1.00 0.00 O ATOM 1372 ND2 ASN A 89 2.398 -3.029 -11.149 1.00 0.00 N ATOM 0 H ASN A 89 1.525 -5.486 -6.714 1.00 0.00 H new ATOM 0 HA ASN A 89 3.871 -4.896 -8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.117 -3.724 -8.611 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.460 -2.600 -8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.553 -3.194 -12.144 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.220 -2.083 -10.811 1.00 0.00 H new ATOM 1379 N LYS A 90 4.027 -2.581 -6.921 1.00 0.00 N ATOM 1380 CA LYS A 90 4.443 -1.686 -5.855 1.00 0.00 C ATOM 1381 C LYS A 90 3.353 -0.640 -5.618 1.00 0.00 C ATOM 1382 O LYS A 90 2.639 -0.223 -6.527 1.00 0.00 O ATOM 1383 CB LYS A 90 5.816 -1.085 -6.165 1.00 0.00 C ATOM 1384 CG LYS A 90 5.974 -0.829 -7.665 1.00 0.00 C ATOM 1385 CD LYS A 90 7.044 0.232 -7.930 1.00 0.00 C ATOM 1386 CE LYS A 90 7.608 0.102 -9.347 1.00 0.00 C ATOM 1387 NZ LYS A 90 6.959 1.076 -10.254 1.00 0.00 N ATOM 0 H LYS A 90 4.300 -2.284 -7.858 1.00 0.00 H new ATOM 0 HA LYS A 90 4.565 -2.236 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.940 -0.151 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.599 -1.762 -5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.244 -1.757 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.022 -0.503 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.617 1.226 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.850 0.130 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.685 0.270 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.448 -0.911 -9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.353 0.975 -11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.935 0.897 -10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.133 2.041 -9.908 1.00 0.00 H new ATOM 1401 N ILE A 91 3.239 -0.218 -4.356 1.00 0.00 N ATOM 1402 CA ILE A 91 2.256 0.772 -3.964 1.00 0.00 C ATOM 1403 C ILE A 91 2.809 2.170 -4.205 1.00 0.00 C ATOM 1404 O ILE A 91 2.161 2.994 -4.847 1.00 0.00 O ATOM 1405 CB ILE A 91 1.898 0.578 -2.494 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.963 1.697 -2.045 1.00 0.00 C ATOM 1407 CG2 ILE A 91 3.171 0.610 -1.651 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.476 1.188 -2.043 1.00 0.00 C ATOM 1409 OXT ILE A 91 3.911 2.489 -3.758 1.00 0.00 O ATOM 0 H ILE A 91 3.823 -0.554 -3.591 1.00 0.00 H new ATOM 0 HA ILE A 91 1.353 0.651 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 91 1.401 -0.384 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.240 2.039 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.056 2.553 -2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.915 0.471 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.839 -0.190 -1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.668 1.571 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.144 1.987 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.750 0.867 -3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.563 0.345 -1.357 1.00 0.00 H new TER 1421 ILE A 91