USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.31) USER MOD Single : A 1 HIS N :NH3+ 169:sc= 0 (180deg=-0.171) USER MOD Single : A 2 MET CE :methyl -156:sc= -0.556 (180deg=-1.14) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0958 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 35:sc= 0.465 USER MOD Single : A 26 CYS SG : rot -9:sc= 0.224 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0727 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.974 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.999 K(o=-1,f=-4!) USER MOD Single : A 64 HIS : no HE2:sc= -1.6 K(o=-1.6,f=-0.66) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -171:sc= -0.22 (180deg=-0.346) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 153:sc= -0.168 (180deg=-0.588) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.751 0.358 0.283 1.00 30.14 N ATOM 2 CA HIS A 1 1.154 -0.016 -0.994 1.00 1.40 C ATOM 3 C HIS A 1 1.941 -1.145 -1.652 1.00 31.23 C ATOM 4 O HIS A 1 2.094 -1.179 -2.872 1.00 41.23 O ATOM 5 CB HIS A 1 1.098 1.194 -1.928 1.00 23.32 C ATOM 6 CG HIS A 1 2.448 1.714 -2.315 1.00 42.22 C ATOM 7 ND1 HIS A 1 3.188 2.557 -1.513 1.00 42.33 N ATOM 8 CD2 HIS A 1 3.192 1.505 -3.426 1.00 42.15 C ATOM 9 CE1 HIS A 1 4.328 2.846 -2.115 1.00 62.44 C ATOM 10 NE2 HIS A 1 4.356 2.219 -3.278 1.00 14.31 N ATOM 0 H1 HIS A 1 1.319 1.241 0.623 1.00 30.14 H new ATOM 0 H2 HIS A 1 1.586 -0.398 0.978 1.00 30.14 H new ATOM 0 H3 HIS A 1 2.774 0.498 0.160 1.00 30.14 H new ATOM 0 HA HIS A 1 0.140 -0.367 -0.804 1.00 1.40 H new ATOM 0 HB2 HIS A 1 0.550 0.921 -2.830 1.00 23.32 H new ATOM 0 HB3 HIS A 1 0.536 1.992 -1.443 1.00 23.32 H new ATOM 0 HD2 HIS A 1 2.921 0.891 -4.272 1.00 42.15 H new ATOM 0 HE1 HIS A 1 5.105 3.486 -1.723 1.00 62.44 H new ATOM 0 HE2 HIS A 1 5.118 2.259 -3.955 1.00 14.31 H new ATOM 18 N MET A 2 2.438 -2.068 -0.834 1.00 50.32 N ATOM 19 CA MET A 2 3.209 -3.199 -1.337 1.00 53.24 C ATOM 20 C MET A 2 2.304 -4.198 -2.052 1.00 3.00 C ATOM 21 O MET A 2 1.081 -4.061 -2.040 1.00 20.54 O ATOM 22 CB MET A 2 3.947 -3.891 -0.190 1.00 60.12 C ATOM 23 CG MET A 2 4.855 -2.960 0.598 1.00 75.52 C ATOM 24 SD MET A 2 6.007 -3.850 1.662 1.00 74.33 S ATOM 25 CE MET A 2 4.878 -4.879 2.598 1.00 52.14 C ATOM 0 H MET A 2 2.320 -2.055 0.179 1.00 50.32 H new ATOM 0 HA MET A 2 3.939 -2.820 -2.052 1.00 53.24 H new ATOM 0 HB2 MET A 2 3.216 -4.332 0.488 1.00 60.12 H new ATOM 0 HB3 MET A 2 4.542 -4.710 -0.594 1.00 60.12 H new ATOM 0 HG2 MET A 2 5.416 -2.334 -0.095 1.00 75.52 H new ATOM 0 HG3 MET A 2 4.245 -2.293 1.207 1.00 75.52 H new ATOM 0 HE1 MET A 2 5.339 -5.156 3.546 1.00 52.14 H new ATOM 0 HE2 MET A 2 3.957 -4.328 2.789 1.00 52.14 H new ATOM 0 HE3 MET A 2 4.650 -5.780 2.029 1.00 52.14 H new ATOM 35 N SER A 3 2.914 -5.202 -2.674 1.00 42.22 N ATOM 36 CA SER A 3 2.164 -6.222 -3.398 1.00 13.44 C ATOM 37 C SER A 3 2.639 -7.620 -3.014 1.00 55.21 C ATOM 38 O SER A 3 3.826 -7.840 -2.772 1.00 31.53 O ATOM 39 CB SER A 3 2.309 -6.017 -4.907 1.00 21.32 C ATOM 40 OG SER A 3 3.656 -6.178 -5.316 1.00 4.33 O ATOM 0 H SER A 3 3.926 -5.331 -2.691 1.00 42.22 H new ATOM 0 HA SER A 3 1.113 -6.127 -3.126 1.00 13.44 H new ATOM 0 HB2 SER A 3 1.677 -6.730 -5.436 1.00 21.32 H new ATOM 0 HB3 SER A 3 1.960 -5.020 -5.177 1.00 21.32 H new ATOM 0 HG SER A 3 3.722 -6.044 -6.285 1.00 4.33 H new ATOM 46 N LEU A 4 1.703 -8.561 -2.961 1.00 31.40 N ATOM 47 CA LEU A 4 2.024 -9.940 -2.607 1.00 51.21 C ATOM 48 C LEU A 4 1.429 -10.914 -3.618 1.00 74.33 C ATOM 49 O LEU A 4 0.269 -10.787 -4.012 1.00 52.44 O ATOM 50 CB LEU A 4 1.504 -10.261 -1.205 1.00 20.32 C ATOM 51 CG LEU A 4 1.706 -9.174 -0.148 1.00 65.44 C ATOM 52 CD1 LEU A 4 0.873 -9.471 1.089 1.00 52.54 C ATOM 53 CD2 LEU A 4 3.179 -9.052 0.215 1.00 10.04 C ATOM 0 H LEU A 4 0.716 -8.395 -3.158 1.00 31.40 H new ATOM 0 HA LEU A 4 3.108 -10.050 -2.620 1.00 51.21 H new ATOM 0 HB2 LEU A 4 0.438 -10.477 -1.275 1.00 20.32 H new ATOM 0 HB3 LEU A 4 1.992 -11.172 -0.858 1.00 20.32 H new ATOM 0 HG LEU A 4 1.374 -8.223 -0.564 1.00 65.44 H new ATOM 0 HD11 LEU A 4 1.030 -8.687 1.830 1.00 52.54 H new ATOM 0 HD12 LEU A 4 -0.182 -9.508 0.817 1.00 52.54 H new ATOM 0 HD13 LEU A 4 1.173 -10.431 1.508 1.00 52.54 H new ATOM 0 HD21 LEU A 4 3.305 -8.274 0.968 1.00 10.04 H new ATOM 0 HD22 LEU A 4 3.536 -10.002 0.612 1.00 10.04 H new ATOM 0 HD23 LEU A 4 3.753 -8.792 -0.675 1.00 10.04 H new ATOM 65 N THR A 5 2.230 -11.891 -4.034 1.00 14.31 N ATOM 66 CA THR A 5 1.782 -12.888 -4.998 1.00 43.10 C ATOM 67 C THR A 5 0.780 -13.849 -4.370 1.00 22.53 C ATOM 68 O THR A 5 0.934 -14.257 -3.218 1.00 73.12 O ATOM 69 CB THR A 5 2.967 -13.695 -5.562 1.00 31.01 C ATOM 70 OG1 THR A 5 4.031 -13.738 -4.604 1.00 54.13 O ATOM 71 CG2 THR A 5 3.471 -13.082 -6.860 1.00 14.22 C ATOM 0 H THR A 5 3.192 -12.012 -3.718 1.00 14.31 H new ATOM 0 HA THR A 5 1.300 -12.347 -5.812 1.00 43.10 H new ATOM 0 HB THR A 5 2.622 -14.708 -5.767 1.00 31.01 H new ATOM 0 HG1 THR A 5 4.780 -14.254 -4.969 1.00 54.13 H new ATOM 0 HG21 THR A 5 4.308 -13.669 -7.239 1.00 14.22 H new ATOM 0 HG22 THR A 5 2.667 -13.078 -7.597 1.00 14.22 H new ATOM 0 HG23 THR A 5 3.800 -12.059 -6.676 1.00 14.22 H new ATOM 79 N VAL A 6 -0.247 -14.209 -5.133 1.00 65.54 N ATOM 80 CA VAL A 6 -1.274 -15.125 -4.652 1.00 24.44 C ATOM 81 C VAL A 6 -1.402 -16.337 -5.567 1.00 74.43 C ATOM 82 O VAL A 6 -1.938 -16.241 -6.672 1.00 33.55 O ATOM 83 CB VAL A 6 -2.643 -14.428 -4.546 1.00 2.22 C ATOM 84 CG1 VAL A 6 -3.706 -15.408 -4.075 1.00 15.22 C ATOM 85 CG2 VAL A 6 -2.559 -13.230 -3.612 1.00 51.33 C ATOM 0 H VAL A 6 -0.390 -13.880 -6.088 1.00 65.54 H new ATOM 0 HA VAL A 6 -0.965 -15.454 -3.660 1.00 24.44 H new ATOM 0 HB VAL A 6 -2.927 -14.070 -5.535 1.00 2.22 H new ATOM 0 HG11 VAL A 6 -4.667 -14.897 -4.006 1.00 15.22 H new ATOM 0 HG12 VAL A 6 -3.783 -16.231 -4.786 1.00 15.22 H new ATOM 0 HG13 VAL A 6 -3.432 -15.799 -3.095 1.00 15.22 H new ATOM 0 HG21 VAL A 6 -3.535 -12.749 -3.549 1.00 51.33 H new ATOM 0 HG22 VAL A 6 -2.253 -13.563 -2.620 1.00 51.33 H new ATOM 0 HG23 VAL A 6 -1.828 -12.519 -3.997 1.00 51.33 H new ATOM 95 N LYS A 7 -0.908 -17.479 -5.101 1.00 63.23 N ATOM 96 CA LYS A 7 -0.968 -18.713 -5.876 1.00 52.34 C ATOM 97 C LYS A 7 -2.243 -19.490 -5.564 1.00 52.52 C ATOM 98 O LYS A 7 -2.688 -19.536 -4.418 1.00 24.35 O ATOM 99 CB LYS A 7 0.256 -19.583 -5.585 1.00 23.13 C ATOM 100 CG LYS A 7 1.510 -19.133 -6.314 1.00 42.11 C ATOM 101 CD LYS A 7 2.729 -19.922 -5.866 1.00 43.24 C ATOM 102 CE LYS A 7 2.875 -21.216 -6.652 1.00 33.23 C ATOM 103 NZ LYS A 7 4.252 -21.774 -6.552 1.00 10.21 N ATOM 0 H LYS A 7 -0.461 -17.576 -4.189 1.00 63.23 H new ATOM 0 HA LYS A 7 -0.974 -18.448 -6.933 1.00 52.34 H new ATOM 0 HB2 LYS A 7 0.448 -19.578 -4.512 1.00 23.13 H new ATOM 0 HB3 LYS A 7 0.034 -20.613 -5.864 1.00 23.13 H new ATOM 0 HG2 LYS A 7 1.371 -19.255 -7.388 1.00 42.11 H new ATOM 0 HG3 LYS A 7 1.676 -18.071 -6.133 1.00 42.11 H new ATOM 0 HD2 LYS A 7 3.625 -19.314 -5.994 1.00 43.24 H new ATOM 0 HD3 LYS A 7 2.647 -20.148 -4.803 1.00 43.24 H new ATOM 0 HE2 LYS A 7 2.158 -21.949 -6.281 1.00 33.23 H new ATOM 0 HE3 LYS A 7 2.632 -21.034 -7.699 1.00 33.23 H new ATOM 0 HZ1 LYS A 7 4.310 -22.655 -7.101 1.00 10.21 H new ATOM 0 HZ2 LYS A 7 4.934 -21.085 -6.929 1.00 10.21 H new ATOM 0 HZ3 LYS A 7 4.475 -21.972 -5.556 1.00 10.21 H new ATOM 117 N ALA A 8 -2.826 -20.099 -6.591 1.00 51.24 N ATOM 118 CA ALA A 8 -4.048 -20.876 -6.425 1.00 63.44 C ATOM 119 C ALA A 8 -3.894 -22.274 -7.016 1.00 4.20 C ATOM 120 O ALA A 8 -3.203 -22.462 -8.018 1.00 30.12 O ATOM 121 CB ALA A 8 -5.223 -20.156 -7.069 1.00 34.12 C ATOM 0 H ALA A 8 -2.472 -20.069 -7.547 1.00 51.24 H new ATOM 0 HA ALA A 8 -4.241 -20.980 -5.357 1.00 63.44 H new ATOM 0 HB1 ALA A 8 -6.129 -20.748 -6.937 1.00 34.12 H new ATOM 0 HB2 ALA A 8 -5.355 -19.182 -6.599 1.00 34.12 H new ATOM 0 HB3 ALA A 8 -5.029 -20.022 -8.133 1.00 34.12 H new ATOM 127 N TYR A 9 -4.540 -23.250 -6.389 1.00 61.32 N ATOM 128 CA TYR A 9 -4.472 -24.632 -6.851 1.00 42.42 C ATOM 129 C TYR A 9 -5.857 -25.150 -7.225 1.00 51.11 C ATOM 130 O TYR A 9 -6.764 -25.190 -6.392 1.00 62.13 O ATOM 131 CB TYR A 9 -3.856 -25.523 -5.771 1.00 41.24 C ATOM 132 CG TYR A 9 -2.400 -25.222 -5.496 1.00 62.31 C ATOM 133 CD1 TYR A 9 -1.400 -25.702 -6.334 1.00 15.33 C ATOM 134 CD2 TYR A 9 -2.024 -24.458 -4.398 1.00 43.35 C ATOM 135 CE1 TYR A 9 -0.069 -25.430 -6.085 1.00 70.24 C ATOM 136 CE2 TYR A 9 -0.695 -24.180 -4.143 1.00 43.22 C ATOM 137 CZ TYR A 9 0.279 -24.669 -4.989 1.00 51.32 C ATOM 138 OH TYR A 9 1.604 -24.395 -4.739 1.00 40.32 O ATOM 0 H TYR A 9 -5.117 -23.111 -5.559 1.00 61.32 H new ATOM 0 HA TYR A 9 -3.841 -24.661 -7.740 1.00 42.42 H new ATOM 0 HB2 TYR A 9 -4.423 -25.406 -4.848 1.00 41.24 H new ATOM 0 HB3 TYR A 9 -3.952 -26.566 -6.074 1.00 41.24 H new ATOM 0 HD1 TYR A 9 -1.668 -26.298 -7.194 1.00 15.33 H new ATOM 0 HD2 TYR A 9 -2.784 -24.075 -3.733 1.00 43.35 H new ATOM 0 HE1 TYR A 9 0.696 -25.812 -6.746 1.00 70.24 H new ATOM 0 HE2 TYR A 9 -0.420 -23.583 -3.286 1.00 43.22 H new ATOM 0 HH TYR A 9 1.678 -23.847 -3.930 1.00 40.32 H new ATOM 148 N LEU A 10 -6.013 -25.547 -8.483 1.00 52.42 N ATOM 149 CA LEU A 10 -7.287 -26.064 -8.970 1.00 15.02 C ATOM 150 C LEU A 10 -7.423 -27.552 -8.665 1.00 31.33 C ATOM 151 O LEU A 10 -6.477 -28.321 -8.838 1.00 24.32 O ATOM 152 CB LEU A 10 -7.415 -25.827 -10.476 1.00 11.34 C ATOM 153 CG LEU A 10 -8.827 -25.551 -10.994 1.00 61.24 C ATOM 154 CD1 LEU A 10 -9.721 -26.762 -10.776 1.00 54.41 C ATOM 155 CD2 LEU A 10 -9.414 -24.322 -10.316 1.00 31.44 C ATOM 0 H LEU A 10 -5.273 -25.521 -9.184 1.00 52.42 H new ATOM 0 HA LEU A 10 -8.087 -25.531 -8.456 1.00 15.02 H new ATOM 0 HB2 LEU A 10 -6.779 -24.984 -10.746 1.00 11.34 H new ATOM 0 HB3 LEU A 10 -7.023 -26.701 -10.996 1.00 11.34 H new ATOM 0 HG LEU A 10 -8.769 -25.356 -12.065 1.00 61.24 H new ATOM 0 HD11 LEU A 10 -10.722 -26.548 -11.151 1.00 54.41 H new ATOM 0 HD12 LEU A 10 -9.310 -27.619 -11.310 1.00 54.41 H new ATOM 0 HD13 LEU A 10 -9.773 -26.989 -9.711 1.00 54.41 H new ATOM 0 HD21 LEU A 10 -10.419 -24.141 -10.697 1.00 31.44 H new ATOM 0 HD22 LEU A 10 -9.459 -24.487 -9.239 1.00 31.44 H new ATOM 0 HD23 LEU A 10 -8.786 -23.456 -10.525 1.00 31.44 H new ATOM 167 N LEU A 11 -8.606 -27.953 -8.212 1.00 11.51 N ATOM 168 CA LEU A 11 -8.867 -29.350 -7.885 1.00 32.03 C ATOM 169 C LEU A 11 -10.113 -29.855 -8.606 1.00 0.52 C ATOM 170 O LEU A 11 -11.182 -29.252 -8.515 1.00 61.31 O ATOM 171 CB LEU A 11 -9.036 -29.518 -6.374 1.00 4.44 C ATOM 172 CG LEU A 11 -8.077 -28.711 -5.498 1.00 3.43 C ATOM 173 CD1 LEU A 11 -8.546 -28.712 -4.051 1.00 64.01 C ATOM 174 CD2 LEU A 11 -6.664 -29.265 -5.603 1.00 25.22 C ATOM 0 H LEU A 11 -9.400 -27.330 -8.063 1.00 11.51 H new ATOM 0 HA LEU A 11 -8.013 -29.940 -8.217 1.00 32.03 H new ATOM 0 HB2 LEU A 11 -10.057 -29.242 -6.110 1.00 4.44 H new ATOM 0 HB3 LEU A 11 -8.918 -30.574 -6.130 1.00 4.44 H new ATOM 0 HG LEU A 11 -8.069 -27.681 -5.855 1.00 3.43 H new ATOM 0 HD11 LEU A 11 -7.851 -28.133 -3.443 1.00 64.01 H new ATOM 0 HD12 LEU A 11 -9.539 -28.267 -3.990 1.00 64.01 H new ATOM 0 HD13 LEU A 11 -8.584 -29.737 -3.682 1.00 64.01 H new ATOM 0 HD21 LEU A 11 -5.995 -28.678 -4.973 1.00 25.22 H new ATOM 0 HD22 LEU A 11 -6.655 -30.304 -5.273 1.00 25.22 H new ATOM 0 HD23 LEU A 11 -6.328 -29.210 -6.638 1.00 25.22 H new ATOM 186 N GLY A 12 -9.967 -30.966 -9.321 1.00 54.01 N ATOM 187 CA GLY A 12 -11.089 -31.534 -10.046 1.00 32.15 C ATOM 188 C GLY A 12 -11.943 -32.437 -9.177 1.00 51.41 C ATOM 189 O GLY A 12 -12.498 -31.998 -8.170 1.00 13.34 O ATOM 0 H GLY A 12 -9.092 -31.483 -9.411 1.00 54.01 H new ATOM 0 HA2 GLY A 12 -11.706 -30.728 -10.444 1.00 32.15 H new ATOM 0 HA3 GLY A 12 -10.717 -32.102 -10.899 1.00 32.15 H new ATOM 193 N LYS A 13 -12.051 -33.702 -9.568 1.00 4.02 N ATOM 194 CA LYS A 13 -12.843 -34.670 -8.819 1.00 12.21 C ATOM 195 C LYS A 13 -11.954 -35.519 -7.916 1.00 71.45 C ATOM 196 O LYS A 13 -12.359 -35.910 -6.822 1.00 3.30 O ATOM 197 CB LYS A 13 -13.624 -35.571 -9.778 1.00 34.23 C ATOM 198 CG LYS A 13 -14.504 -36.590 -9.074 1.00 12.10 C ATOM 199 CD LYS A 13 -13.759 -37.890 -8.822 1.00 35.23 C ATOM 200 CE LYS A 13 -14.718 -39.033 -8.523 1.00 51.30 C ATOM 201 NZ LYS A 13 -15.083 -39.088 -7.080 1.00 43.03 N ATOM 0 H LYS A 13 -11.599 -34.081 -10.400 1.00 4.02 H new ATOM 0 HA LYS A 13 -13.546 -34.120 -8.193 1.00 12.21 H new ATOM 0 HB2 LYS A 13 -14.246 -34.949 -10.422 1.00 34.23 H new ATOM 0 HB3 LYS A 13 -12.921 -36.096 -10.424 1.00 34.23 H new ATOM 0 HG2 LYS A 13 -14.851 -36.179 -8.126 1.00 12.10 H new ATOM 0 HG3 LYS A 13 -15.389 -36.788 -9.679 1.00 12.10 H new ATOM 0 HD2 LYS A 13 -13.155 -38.139 -9.694 1.00 35.23 H new ATOM 0 HD3 LYS A 13 -13.073 -37.761 -7.985 1.00 35.23 H new ATOM 0 HE2 LYS A 13 -15.621 -38.915 -9.122 1.00 51.30 H new ATOM 0 HE3 LYS A 13 -14.261 -39.977 -8.818 1.00 51.30 H new ATOM 0 HZ1 LYS A 13 -15.737 -39.880 -6.917 1.00 43.03 H new ATOM 0 HZ2 LYS A 13 -14.224 -39.226 -6.510 1.00 43.03 H new ATOM 0 HZ3 LYS A 13 -15.543 -38.197 -6.804 1.00 43.03 H new ATOM 215 N GLU A 14 -10.741 -35.800 -8.383 1.00 33.20 N ATOM 216 CA GLU A 14 -9.796 -36.603 -7.616 1.00 63.03 C ATOM 217 C GLU A 14 -8.815 -35.713 -6.859 1.00 10.43 C ATOM 218 O GLU A 14 -7.713 -36.139 -6.515 1.00 40.50 O ATOM 219 CB GLU A 14 -9.030 -37.552 -8.541 1.00 54.44 C ATOM 220 CG GLU A 14 -9.931 -38.401 -9.423 1.00 11.52 C ATOM 221 CD GLU A 14 -9.165 -39.126 -10.512 1.00 33.52 C ATOM 222 OE1 GLU A 14 -8.419 -40.073 -10.184 1.00 15.54 O ATOM 223 OE2 GLU A 14 -9.313 -38.748 -11.693 1.00 4.11 O ATOM 0 H GLU A 14 -10.390 -35.484 -9.287 1.00 33.20 H new ATOM 0 HA GLU A 14 -10.361 -37.190 -6.892 1.00 63.03 H new ATOM 0 HB2 GLU A 14 -8.362 -36.968 -9.174 1.00 54.44 H new ATOM 0 HB3 GLU A 14 -8.404 -38.209 -7.937 1.00 54.44 H new ATOM 0 HG2 GLU A 14 -10.455 -39.130 -8.805 1.00 11.52 H new ATOM 0 HG3 GLU A 14 -10.690 -37.766 -9.879 1.00 11.52 H new ATOM 230 N GLU A 15 -9.225 -34.474 -6.603 1.00 32.20 N ATOM 231 CA GLU A 15 -8.382 -33.523 -5.888 1.00 32.44 C ATOM 232 C GLU A 15 -6.999 -33.434 -6.527 1.00 34.13 C ATOM 233 O GLU A 15 -5.995 -33.264 -5.837 1.00 1.44 O ATOM 234 CB GLU A 15 -8.252 -33.929 -4.418 1.00 4.11 C ATOM 235 CG GLU A 15 -9.475 -33.592 -3.583 1.00 12.15 C ATOM 236 CD GLU A 15 -9.160 -33.487 -2.103 1.00 15.41 C ATOM 237 OE1 GLU A 15 -8.100 -33.996 -1.684 1.00 12.34 O ATOM 238 OE2 GLU A 15 -9.975 -32.894 -1.364 1.00 72.44 O ATOM 0 H GLU A 15 -10.135 -34.106 -6.880 1.00 32.20 H new ATOM 0 HA GLU A 15 -8.854 -32.542 -5.947 1.00 32.44 H new ATOM 0 HB2 GLU A 15 -8.068 -35.002 -4.361 1.00 4.11 H new ATOM 0 HB3 GLU A 15 -7.381 -33.433 -3.989 1.00 4.11 H new ATOM 0 HG2 GLU A 15 -9.898 -32.649 -3.929 1.00 12.15 H new ATOM 0 HG3 GLU A 15 -10.236 -34.357 -3.735 1.00 12.15 H new ATOM 245 N ALA A 16 -6.957 -33.551 -7.850 1.00 21.32 N ATOM 246 CA ALA A 16 -5.699 -33.483 -8.583 1.00 1.52 C ATOM 247 C ALA A 16 -5.496 -32.101 -9.197 1.00 21.45 C ATOM 248 O ALA A 16 -6.424 -31.517 -9.754 1.00 14.12 O ATOM 249 CB ALA A 16 -5.658 -34.553 -9.663 1.00 72.30 C ATOM 0 H ALA A 16 -7.780 -33.693 -8.436 1.00 21.32 H new ATOM 0 HA ALA A 16 -4.887 -33.663 -7.879 1.00 1.52 H new ATOM 0 HB1 ALA A 16 -4.713 -34.490 -10.202 1.00 72.30 H new ATOM 0 HB2 ALA A 16 -5.749 -35.537 -9.204 1.00 72.30 H new ATOM 0 HB3 ALA A 16 -6.483 -34.400 -10.359 1.00 72.30 H new ATOM 255 N ALA A 17 -4.276 -31.585 -9.090 1.00 0.04 N ATOM 256 CA ALA A 17 -3.951 -30.273 -9.635 1.00 54.04 C ATOM 257 C ALA A 17 -4.309 -30.190 -11.115 1.00 73.14 C ATOM 258 O ALA A 17 -3.698 -30.858 -11.950 1.00 12.03 O ATOM 259 CB ALA A 17 -2.475 -29.966 -9.429 1.00 74.13 C ATOM 0 H ALA A 17 -3.496 -32.056 -8.631 1.00 0.04 H new ATOM 0 HA ALA A 17 -4.543 -29.529 -9.102 1.00 54.04 H new ATOM 0 HB1 ALA A 17 -2.247 -28.983 -9.841 1.00 74.13 H new ATOM 0 HB2 ALA A 17 -2.247 -29.975 -8.363 1.00 74.13 H new ATOM 0 HB3 ALA A 17 -1.872 -30.720 -9.935 1.00 74.13 H new ATOM 265 N ARG A 18 -5.303 -29.367 -11.434 1.00 32.31 N ATOM 266 CA ARG A 18 -5.743 -29.199 -12.814 1.00 34.25 C ATOM 267 C ARG A 18 -5.012 -28.038 -13.480 1.00 1.41 C ATOM 268 O ARG A 18 -4.562 -28.148 -14.620 1.00 1.12 O ATOM 269 CB ARG A 18 -7.254 -28.961 -12.864 1.00 3.11 C ATOM 270 CG ARG A 18 -8.071 -30.241 -12.915 1.00 20.40 C ATOM 271 CD ARG A 18 -9.498 -29.974 -13.368 1.00 43.12 C ATOM 272 NE ARG A 18 -10.070 -31.115 -14.077 1.00 62.42 N ATOM 273 CZ ARG A 18 -9.668 -31.509 -15.281 1.00 33.44 C ATOM 274 NH1 ARG A 18 -8.698 -30.858 -15.906 1.00 5.44 N ATOM 275 NH2 ARG A 18 -10.238 -32.558 -15.861 1.00 40.10 N ATOM 0 H ARG A 18 -5.819 -28.806 -10.756 1.00 32.31 H new ATOM 0 HA ARG A 18 -5.508 -30.114 -13.358 1.00 34.25 H new ATOM 0 HB2 ARG A 18 -7.552 -28.385 -11.988 1.00 3.11 H new ATOM 0 HB3 ARG A 18 -7.489 -28.355 -13.739 1.00 3.11 H new ATOM 0 HG2 ARG A 18 -7.598 -30.949 -13.596 1.00 20.40 H new ATOM 0 HG3 ARG A 18 -8.082 -30.706 -11.929 1.00 20.40 H new ATOM 0 HD2 ARG A 18 -10.116 -29.739 -12.501 1.00 43.12 H new ATOM 0 HD3 ARG A 18 -9.514 -29.099 -14.017 1.00 43.12 H new ATOM 0 HE ARG A 18 -10.819 -31.638 -13.624 1.00 62.42 H new ATOM 0 HH11 ARG A 18 -8.257 -30.052 -15.463 1.00 5.44 H new ATOM 0 HH12 ARG A 18 -8.392 -31.163 -16.830 1.00 5.44 H new ATOM 0 HH21 ARG A 18 -10.985 -33.062 -15.383 1.00 40.10 H new ATOM 0 HH22 ARG A 18 -9.929 -32.860 -16.785 1.00 40.10 H new ATOM 289 N GLU A 19 -4.898 -26.926 -12.760 1.00 53.44 N ATOM 290 CA GLU A 19 -4.223 -25.744 -13.283 1.00 42.13 C ATOM 291 C GLU A 19 -3.672 -24.885 -12.148 1.00 54.14 C ATOM 292 O GLU A 19 -4.162 -24.941 -11.020 1.00 53.11 O ATOM 293 CB GLU A 19 -5.183 -24.919 -14.143 1.00 2.32 C ATOM 294 CG GLU A 19 -4.492 -24.133 -15.245 1.00 25.43 C ATOM 295 CD GLU A 19 -3.963 -22.796 -14.764 1.00 52.33 C ATOM 296 OE1 GLU A 19 -4.610 -22.182 -13.890 1.00 33.54 O ATOM 297 OE2 GLU A 19 -2.904 -22.362 -15.263 1.00 24.14 O ATOM 0 H GLU A 19 -5.264 -26.819 -11.814 1.00 53.44 H new ATOM 0 HA GLU A 19 -3.389 -26.077 -13.901 1.00 42.13 H new ATOM 0 HB2 GLU A 19 -5.920 -25.586 -14.591 1.00 2.32 H new ATOM 0 HB3 GLU A 19 -5.728 -24.226 -13.502 1.00 2.32 H new ATOM 0 HG2 GLU A 19 -3.667 -24.723 -15.645 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -5.193 -23.969 -16.064 1.00 25.43 H new ATOM 304 N ILE A 20 -2.652 -24.092 -12.456 1.00 44.11 N ATOM 305 CA ILE A 20 -2.035 -23.221 -11.463 1.00 30.20 C ATOM 306 C ILE A 20 -1.735 -21.846 -12.049 1.00 1.44 C ATOM 307 O ILE A 20 -1.407 -21.720 -13.229 1.00 22.24 O ATOM 308 CB ILE A 20 -0.731 -23.829 -10.914 1.00 3.31 C ATOM 309 CG1 ILE A 20 -0.988 -25.235 -10.368 1.00 44.11 C ATOM 310 CG2 ILE A 20 -0.144 -22.934 -9.832 1.00 42.15 C ATOM 311 CD1 ILE A 20 0.278 -25.994 -10.035 1.00 34.12 C ATOM 0 H ILE A 20 -2.235 -24.034 -13.385 1.00 44.11 H new ATOM 0 HA ILE A 20 -2.749 -23.117 -10.646 1.00 30.20 H new ATOM 0 HB ILE A 20 -0.011 -23.902 -11.729 1.00 3.31 H new ATOM 0 HG12 ILE A 20 -1.604 -25.161 -9.472 1.00 44.11 H new ATOM 0 HG13 ILE A 20 -1.560 -25.802 -11.102 1.00 44.11 H new ATOM 0 HG21 ILE A 20 0.777 -23.377 -9.454 1.00 42.15 H new ATOM 0 HG22 ILE A 20 0.071 -21.951 -10.250 1.00 42.15 H new ATOM 0 HG23 ILE A 20 -0.860 -22.832 -9.016 1.00 42.15 H new ATOM 0 HD11 ILE A 20 0.020 -26.982 -9.653 1.00 34.12 H new ATOM 0 HD12 ILE A 20 0.886 -26.099 -10.933 1.00 34.12 H new ATOM 0 HD13 ILE A 20 0.841 -25.448 -9.278 1.00 34.12 H new ATOM 323 N ARG A 21 -1.848 -20.816 -11.215 1.00 62.44 N ATOM 324 CA ARG A 21 -1.588 -19.449 -11.650 1.00 61.33 C ATOM 325 C ARG A 21 -1.364 -18.531 -10.452 1.00 70.14 C ATOM 326 O ARG A 21 -1.815 -18.820 -9.344 1.00 0.53 O ATOM 327 CB ARG A 21 -2.753 -18.930 -12.494 1.00 53.40 C ATOM 328 CG ARG A 21 -2.342 -17.897 -13.531 1.00 2.04 C ATOM 329 CD ARG A 21 -1.899 -18.556 -14.828 1.00 13.41 C ATOM 330 NE ARG A 21 -0.469 -18.853 -14.831 1.00 15.11 N ATOM 331 CZ ARG A 21 0.126 -19.590 -15.762 1.00 31.44 C ATOM 332 NH1 ARG A 21 -0.582 -20.102 -16.759 1.00 65.42 N ATOM 333 NH2 ARG A 21 1.432 -19.817 -15.696 1.00 13.53 N ATOM 0 H ARG A 21 -2.118 -20.903 -10.235 1.00 62.44 H new ATOM 0 HA ARG A 21 -0.683 -19.453 -12.257 1.00 61.33 H new ATOM 0 HB2 ARG A 21 -3.227 -19.771 -13.000 1.00 53.40 H new ATOM 0 HB3 ARG A 21 -3.502 -18.492 -11.834 1.00 53.40 H new ATOM 0 HG2 ARG A 21 -3.178 -17.226 -13.729 1.00 2.04 H new ATOM 0 HG3 ARG A 21 -1.530 -17.286 -13.136 1.00 2.04 H new ATOM 0 HD2 ARG A 21 -2.461 -19.478 -14.976 1.00 13.41 H new ATOM 0 HD3 ARG A 21 -2.135 -17.901 -15.666 1.00 13.41 H new ATOM 0 HE ARG A 21 0.104 -18.474 -14.077 1.00 15.11 H new ATOM 0 HH11 ARG A 21 -1.586 -19.930 -16.812 1.00 65.42 H new ATOM 0 HH12 ARG A 21 -0.123 -20.668 -17.473 1.00 65.42 H new ATOM 0 HH21 ARG A 21 1.980 -19.425 -14.930 1.00 13.53 H new ATOM 0 HH22 ARG A 21 1.888 -20.383 -16.411 1.00 13.53 H new ATOM 347 N ARG A 22 -0.664 -17.425 -10.684 1.00 15.02 N ATOM 348 CA ARG A 22 -0.379 -16.466 -9.624 1.00 13.43 C ATOM 349 C ARG A 22 -0.457 -15.035 -10.150 1.00 22.34 C ATOM 350 O ARG A 22 -0.100 -14.764 -11.297 1.00 35.34 O ATOM 351 CB ARG A 22 1.006 -16.727 -9.029 1.00 34.31 C ATOM 352 CG ARG A 22 2.124 -16.705 -10.058 1.00 4.14 C ATOM 353 CD ARG A 22 3.252 -17.651 -9.675 1.00 72.12 C ATOM 354 NE ARG A 22 4.232 -17.797 -10.748 1.00 54.02 N ATOM 355 CZ ARG A 22 5.188 -16.909 -10.996 1.00 21.13 C ATOM 356 NH1 ARG A 22 5.293 -15.818 -10.250 1.00 41.43 N ATOM 357 NH2 ARG A 22 6.043 -17.112 -11.990 1.00 74.44 N ATOM 0 H ARG A 22 -0.284 -17.171 -11.596 1.00 15.02 H new ATOM 0 HA ARG A 22 -1.131 -16.590 -8.845 1.00 13.43 H new ATOM 0 HB2 ARG A 22 1.211 -15.977 -8.265 1.00 34.31 H new ATOM 0 HB3 ARG A 22 1.001 -17.696 -8.530 1.00 34.31 H new ATOM 0 HG2 ARG A 22 1.728 -16.986 -11.034 1.00 4.14 H new ATOM 0 HG3 ARG A 22 2.514 -15.691 -10.152 1.00 4.14 H new ATOM 0 HD2 ARG A 22 3.748 -17.279 -8.779 1.00 72.12 H new ATOM 0 HD3 ARG A 22 2.837 -18.628 -9.427 1.00 72.12 H new ATOM 0 HE ARG A 22 4.179 -18.626 -11.339 1.00 54.02 H new ATOM 0 HH11 ARG A 22 4.639 -15.659 -9.484 1.00 41.43 H new ATOM 0 HH12 ARG A 22 6.028 -15.137 -10.442 1.00 41.43 H new ATOM 0 HH21 ARG A 22 5.967 -17.951 -12.565 1.00 74.44 H new ATOM 0 HH22 ARG A 22 6.777 -16.429 -12.179 1.00 74.44 H new ATOM 371 N PHE A 23 -0.925 -14.124 -9.304 1.00 12.14 N ATOM 372 CA PHE A 23 -1.051 -12.722 -9.683 1.00 51.52 C ATOM 373 C PHE A 23 -0.606 -11.808 -8.545 1.00 41.11 C ATOM 374 O PHE A 23 -0.369 -12.263 -7.426 1.00 41.31 O ATOM 375 CB PHE A 23 -2.497 -12.404 -10.071 1.00 63.13 C ATOM 376 CG PHE A 23 -3.452 -12.450 -8.913 1.00 52.14 C ATOM 377 CD1 PHE A 23 -3.673 -11.325 -8.136 1.00 15.42 C ATOM 378 CD2 PHE A 23 -4.129 -13.618 -8.603 1.00 34.03 C ATOM 379 CE1 PHE A 23 -4.552 -11.364 -7.069 1.00 65.43 C ATOM 380 CE2 PHE A 23 -5.009 -13.664 -7.537 1.00 51.35 C ATOM 381 CZ PHE A 23 -5.221 -12.535 -6.770 1.00 51.05 C ATOM 0 H PHE A 23 -1.223 -14.332 -8.351 1.00 12.14 H new ATOM 0 HA PHE A 23 -0.404 -12.545 -10.542 1.00 51.52 H new ATOM 0 HB2 PHE A 23 -2.534 -11.413 -10.523 1.00 63.13 H new ATOM 0 HB3 PHE A 23 -2.825 -13.113 -10.831 1.00 63.13 H new ATOM 0 HD1 PHE A 23 -3.153 -10.407 -8.366 1.00 15.42 H new ATOM 0 HD2 PHE A 23 -3.968 -14.503 -9.201 1.00 34.03 H new ATOM 0 HE1 PHE A 23 -4.715 -10.480 -6.470 1.00 65.43 H new ATOM 0 HE2 PHE A 23 -5.530 -14.581 -7.305 1.00 51.35 H new ATOM 0 HZ PHE A 23 -5.909 -12.568 -5.938 1.00 51.05 H new ATOM 391 N SER A 24 -0.494 -10.517 -8.840 1.00 0.40 N ATOM 392 CA SER A 24 -0.073 -9.539 -7.844 1.00 10.34 C ATOM 393 C SER A 24 -1.268 -9.029 -7.044 1.00 52.10 C ATOM 394 O SER A 24 -2.207 -8.461 -7.603 1.00 2.34 O ATOM 395 CB SER A 24 0.641 -8.366 -8.519 1.00 32.10 C ATOM 396 OG SER A 24 -0.240 -7.657 -9.373 1.00 43.41 O ATOM 0 H SER A 24 -0.689 -10.124 -9.761 1.00 0.40 H new ATOM 0 HA SER A 24 0.618 -10.030 -7.159 1.00 10.34 H new ATOM 0 HB2 SER A 24 1.038 -7.692 -7.760 1.00 32.10 H new ATOM 0 HB3 SER A 24 1.491 -8.735 -9.093 1.00 32.10 H new ATOM 0 HG SER A 24 -1.140 -7.655 -8.986 1.00 43.41 H new ATOM 402 N PHE A 25 -1.226 -9.236 -5.732 1.00 72.41 N ATOM 403 CA PHE A 25 -2.305 -8.799 -4.854 1.00 73.40 C ATOM 404 C PHE A 25 -1.886 -7.575 -4.045 1.00 74.32 C ATOM 405 O PHE A 25 -0.697 -7.337 -3.830 1.00 72.23 O ATOM 406 CB PHE A 25 -2.714 -9.933 -3.911 1.00 12.54 C ATOM 407 CG PHE A 25 -3.924 -9.614 -3.080 1.00 12.42 C ATOM 408 CD1 PHE A 25 -5.173 -9.493 -3.668 1.00 42.13 C ATOM 409 CD2 PHE A 25 -3.813 -9.435 -1.710 1.00 72.13 C ATOM 410 CE1 PHE A 25 -6.288 -9.199 -2.906 1.00 45.42 C ATOM 411 CE2 PHE A 25 -4.925 -9.141 -0.943 1.00 24.11 C ATOM 412 CZ PHE A 25 -6.164 -9.024 -1.542 1.00 5.24 C ATOM 0 H PHE A 25 -0.456 -9.704 -5.253 1.00 72.41 H new ATOM 0 HA PHE A 25 -3.158 -8.527 -5.475 1.00 73.40 H new ATOM 0 HB2 PHE A 25 -2.912 -10.830 -4.498 1.00 12.54 H new ATOM 0 HB3 PHE A 25 -1.879 -10.164 -3.249 1.00 12.54 H new ATOM 0 HD1 PHE A 25 -5.276 -9.630 -4.734 1.00 42.13 H new ATOM 0 HD2 PHE A 25 -2.847 -9.526 -1.236 1.00 72.13 H new ATOM 0 HE1 PHE A 25 -7.255 -9.106 -3.377 1.00 45.42 H new ATOM 0 HE2 PHE A 25 -4.825 -9.003 0.123 1.00 24.11 H new ATOM 0 HZ PHE A 25 -7.034 -8.796 -0.945 1.00 5.24 H new ATOM 422 N CYS A 26 -2.871 -6.803 -3.600 1.00 40.43 N ATOM 423 CA CYS A 26 -2.606 -5.602 -2.816 1.00 43.42 C ATOM 424 C CYS A 26 -2.210 -5.961 -1.388 1.00 23.32 C ATOM 425 O CYS A 26 -2.750 -6.899 -0.800 1.00 45.12 O ATOM 426 CB CYS A 26 -3.836 -4.693 -2.804 1.00 20.31 C ATOM 427 SG CYS A 26 -5.324 -5.475 -2.139 1.00 33.33 S ATOM 0 H CYS A 26 -3.860 -6.987 -3.769 1.00 40.43 H new ATOM 0 HA CYS A 26 -1.776 -5.071 -3.281 1.00 43.42 H new ATOM 0 HB2 CYS A 26 -3.612 -3.804 -2.215 1.00 20.31 H new ATOM 0 HB3 CYS A 26 -4.038 -4.359 -3.822 1.00 20.31 H new ATOM 0 HG CYS A 26 -5.110 -6.747 -1.976 1.00 33.33 H new ATOM 433 N PHE A 27 -1.262 -5.211 -0.835 1.00 55.22 N ATOM 434 CA PHE A 27 -0.792 -5.452 0.524 1.00 62.02 C ATOM 435 C PHE A 27 -1.744 -4.839 1.546 1.00 0.42 C ATOM 436 O PHE A 27 -1.775 -5.249 2.706 1.00 22.03 O ATOM 437 CB PHE A 27 0.614 -4.876 0.709 1.00 34.02 C ATOM 438 CG PHE A 27 1.125 -4.985 2.117 1.00 23.21 C ATOM 439 CD1 PHE A 27 1.708 -6.159 2.568 1.00 53.14 C ATOM 440 CD2 PHE A 27 1.023 -3.914 2.990 1.00 24.23 C ATOM 441 CE1 PHE A 27 2.180 -6.263 3.862 1.00 11.45 C ATOM 442 CE2 PHE A 27 1.494 -4.012 4.286 1.00 42.10 C ATOM 443 CZ PHE A 27 2.072 -5.188 4.723 1.00 0.10 C ATOM 0 H PHE A 27 -0.804 -4.431 -1.307 1.00 55.22 H new ATOM 0 HA PHE A 27 -0.760 -6.530 0.685 1.00 62.02 H new ATOM 0 HB2 PHE A 27 1.301 -5.394 0.040 1.00 34.02 H new ATOM 0 HB3 PHE A 27 0.610 -3.827 0.412 1.00 34.02 H new ATOM 0 HD1 PHE A 27 1.794 -7.003 1.899 1.00 53.14 H new ATOM 0 HD2 PHE A 27 0.571 -2.993 2.654 1.00 24.23 H new ATOM 0 HE1 PHE A 27 2.633 -7.183 4.200 1.00 11.45 H new ATOM 0 HE2 PHE A 27 1.410 -3.170 4.956 1.00 42.10 H new ATOM 0 HZ PHE A 27 2.439 -5.267 5.736 1.00 0.10 H new ATOM 453 N SER A 28 -2.519 -3.853 1.107 1.00 54.54 N ATOM 454 CA SER A 28 -3.470 -3.179 1.983 1.00 2.45 C ATOM 455 C SER A 28 -4.488 -4.167 2.544 1.00 65.52 C ATOM 456 O SER A 28 -4.691 -5.258 2.010 1.00 50.14 O ATOM 457 CB SER A 28 -4.191 -2.061 1.227 1.00 64.33 C ATOM 458 OG SER A 28 -4.198 -2.312 -0.168 1.00 24.20 O ATOM 0 H SER A 28 -2.507 -3.503 0.149 1.00 54.54 H new ATOM 0 HA SER A 28 -2.914 -2.745 2.814 1.00 2.45 H new ATOM 0 HB2 SER A 28 -5.215 -1.974 1.589 1.00 64.33 H new ATOM 0 HB3 SER A 28 -3.701 -1.108 1.426 1.00 64.33 H new ATOM 0 HG SER A 28 -4.666 -1.585 -0.629 1.00 24.20 H new ATOM 464 N PRO A 29 -5.143 -3.779 3.648 1.00 51.14 N ATOM 465 CA PRO A 29 -6.151 -4.616 4.305 1.00 12.54 C ATOM 466 C PRO A 29 -7.425 -4.748 3.477 1.00 4.01 C ATOM 467 O PRO A 29 -7.987 -5.836 3.357 1.00 1.13 O ATOM 468 CB PRO A 29 -6.437 -3.867 5.610 1.00 71.13 C ATOM 469 CG PRO A 29 -6.093 -2.448 5.315 1.00 12.22 C ATOM 470 CD PRO A 29 -4.951 -2.493 4.338 1.00 10.42 C ATOM 0 HA PRO A 29 -5.800 -5.638 4.451 1.00 12.54 H new ATOM 0 HB2 PRO A 29 -7.482 -3.968 5.904 1.00 71.13 H new ATOM 0 HB3 PRO A 29 -5.836 -4.258 6.431 1.00 71.13 H new ATOM 0 HG2 PRO A 29 -6.947 -1.919 4.892 1.00 12.22 H new ATOM 0 HG3 PRO A 29 -5.808 -1.918 6.224 1.00 12.22 H new ATOM 0 HD2 PRO A 29 -4.984 -1.655 3.642 1.00 10.42 H new ATOM 0 HD3 PRO A 29 -3.987 -2.449 4.845 1.00 10.42 H new ATOM 478 N GLU A 30 -7.873 -3.634 2.907 1.00 13.34 N ATOM 479 CA GLU A 30 -9.081 -3.627 2.091 1.00 71.25 C ATOM 480 C GLU A 30 -8.959 -2.624 0.947 1.00 32.01 C ATOM 481 O GLU A 30 -8.222 -1.641 1.026 1.00 12.01 O ATOM 482 CB GLU A 30 -10.302 -3.292 2.949 1.00 35.23 C ATOM 483 CG GLU A 30 -10.535 -4.273 4.086 1.00 24.13 C ATOM 484 CD GLU A 30 -11.772 -3.943 4.898 1.00 75.44 C ATOM 485 OE1 GLU A 30 -12.872 -3.888 4.308 1.00 43.21 O ATOM 486 OE2 GLU A 30 -11.641 -3.741 6.123 1.00 33.41 O ATOM 0 H GLU A 30 -7.418 -2.725 2.995 1.00 13.34 H new ATOM 0 HA GLU A 30 -9.207 -4.623 1.667 1.00 71.25 H new ATOM 0 HB2 GLU A 30 -10.181 -2.291 3.363 1.00 35.23 H new ATOM 0 HB3 GLU A 30 -11.187 -3.269 2.313 1.00 35.23 H new ATOM 0 HG2 GLU A 30 -10.631 -5.279 3.678 1.00 24.13 H new ATOM 0 HG3 GLU A 30 -9.665 -4.276 4.742 1.00 24.13 H new ATOM 493 N PRO A 31 -9.699 -2.877 -0.143 1.00 23.21 N ATOM 494 CA PRO A 31 -9.691 -2.009 -1.324 1.00 12.32 C ATOM 495 C PRO A 31 -10.363 -0.666 -1.060 1.00 10.51 C ATOM 496 O PRO A 31 -9.836 0.384 -1.426 1.00 2.31 O ATOM 497 CB PRO A 31 -10.486 -2.810 -2.358 1.00 43.23 C ATOM 498 CG PRO A 31 -11.372 -3.696 -1.552 1.00 43.34 C ATOM 499 CD PRO A 31 -10.600 -4.030 -0.306 1.00 63.52 C ATOM 0 HA PRO A 31 -8.678 -1.763 -1.642 1.00 12.32 H new ATOM 0 HB2 PRO A 31 -11.067 -2.153 -3.006 1.00 43.23 H new ATOM 0 HB3 PRO A 31 -9.825 -3.391 -3.002 1.00 43.23 H new ATOM 0 HG2 PRO A 31 -12.308 -3.194 -1.308 1.00 43.34 H new ATOM 0 HG3 PRO A 31 -11.629 -4.599 -2.106 1.00 43.34 H new ATOM 0 HD2 PRO A 31 -11.258 -4.150 0.554 1.00 63.52 H new ATOM 0 HD3 PRO A 31 -10.045 -4.962 -0.415 1.00 63.52 H new ATOM 507 N GLU A 32 -11.529 -0.707 -0.422 1.00 62.12 N ATOM 508 CA GLU A 32 -12.272 0.508 -0.110 1.00 42.12 C ATOM 509 C GLU A 32 -12.349 0.727 1.398 1.00 21.42 C ATOM 510 O GLU A 32 -11.969 -0.143 2.182 1.00 0.40 O ATOM 511 CB GLU A 32 -13.682 0.435 -0.699 1.00 13.33 C ATOM 512 CG GLU A 32 -13.705 0.358 -2.216 1.00 74.30 C ATOM 513 CD GLU A 32 -13.108 1.587 -2.872 1.00 54.43 C ATOM 514 OE1 GLU A 32 -13.850 2.571 -3.075 1.00 42.34 O ATOM 515 OE2 GLU A 32 -11.899 1.565 -3.182 1.00 43.34 O ATOM 0 H GLU A 32 -11.979 -1.568 -0.111 1.00 62.12 H new ATOM 0 HA GLU A 32 -11.743 1.351 -0.555 1.00 42.12 H new ATOM 0 HB2 GLU A 32 -14.192 -0.438 -0.292 1.00 13.33 H new ATOM 0 HB3 GLU A 32 -14.246 1.311 -0.380 1.00 13.33 H new ATOM 0 HG2 GLU A 32 -13.154 -0.525 -2.539 1.00 74.30 H new ATOM 0 HG3 GLU A 32 -14.734 0.234 -2.554 1.00 74.30 H new ATOM 522 N ALA A 33 -12.843 1.894 1.796 1.00 0.25 N ATOM 523 CA ALA A 33 -12.972 2.227 3.210 1.00 45.23 C ATOM 524 C ALA A 33 -14.408 2.605 3.556 1.00 23.33 C ATOM 525 O ALA A 33 -14.896 2.292 4.642 1.00 71.15 O ATOM 526 CB ALA A 33 -12.023 3.360 3.573 1.00 15.34 C ATOM 0 H ALA A 33 -13.161 2.625 1.160 1.00 0.25 H new ATOM 0 HA ALA A 33 -12.707 1.345 3.792 1.00 45.23 H new ATOM 0 HB1 ALA A 33 -12.129 3.599 4.631 1.00 15.34 H new ATOM 0 HB2 ALA A 33 -10.997 3.054 3.372 1.00 15.34 H new ATOM 0 HB3 ALA A 33 -12.262 4.240 2.977 1.00 15.34 H new ATOM 532 N GLU A 34 -15.078 3.279 2.627 1.00 11.35 N ATOM 533 CA GLU A 34 -16.458 3.700 2.837 1.00 14.41 C ATOM 534 C GLU A 34 -17.411 2.904 1.950 1.00 20.55 C ATOM 535 O GLU A 34 -18.435 2.402 2.414 1.00 3.54 O ATOM 536 CB GLU A 34 -16.608 5.196 2.550 1.00 21.12 C ATOM 537 CG GLU A 34 -15.837 6.081 3.515 1.00 23.21 C ATOM 538 CD GLU A 34 -15.849 7.541 3.105 1.00 72.40 C ATOM 539 OE1 GLU A 34 -15.708 7.819 1.896 1.00 2.10 O ATOM 540 OE2 GLU A 34 -16.001 8.405 3.994 1.00 61.40 O ATOM 0 H GLU A 34 -14.688 3.545 1.723 1.00 11.35 H new ATOM 0 HA GLU A 34 -16.714 3.509 3.879 1.00 14.41 H new ATOM 0 HB2 GLU A 34 -16.268 5.398 1.534 1.00 21.12 H new ATOM 0 HB3 GLU A 34 -17.664 5.461 2.592 1.00 21.12 H new ATOM 0 HG2 GLU A 34 -16.266 5.984 4.512 1.00 23.21 H new ATOM 0 HG3 GLU A 34 -14.806 5.733 3.576 1.00 23.21 H new ATOM 547 N ALA A 35 -17.066 2.792 0.672 1.00 61.31 N ATOM 548 CA ALA A 35 -17.888 2.055 -0.280 1.00 14.32 C ATOM 549 C ALA A 35 -18.206 0.656 0.237 1.00 50.14 C ATOM 550 O ALA A 35 -19.346 0.359 0.591 1.00 14.21 O ATOM 551 CB ALA A 35 -17.191 1.976 -1.630 1.00 1.13 C ATOM 0 H ALA A 35 -16.222 3.202 0.272 1.00 61.31 H new ATOM 0 HA ALA A 35 -18.829 2.591 -0.401 1.00 14.32 H new ATOM 0 HB1 ALA A 35 -17.817 1.423 -2.331 1.00 1.13 H new ATOM 0 HB2 ALA A 35 -17.022 2.983 -2.012 1.00 1.13 H new ATOM 0 HB3 ALA A 35 -16.235 1.465 -1.516 1.00 1.13 H new ATOM 557 N ALA A 36 -17.190 -0.200 0.276 1.00 52.05 N ATOM 558 CA ALA A 36 -17.362 -1.568 0.750 1.00 45.42 C ATOM 559 C ALA A 36 -18.040 -1.594 2.115 1.00 22.23 C ATOM 560 O ALA A 36 -17.547 -1.003 3.075 1.00 23.24 O ATOM 561 CB ALA A 36 -16.017 -2.277 0.812 1.00 1.24 C ATOM 0 H ALA A 36 -16.240 0.030 -0.015 1.00 52.05 H new ATOM 0 HA ALA A 36 -18.005 -2.094 0.044 1.00 45.42 H new ATOM 0 HB1 ALA A 36 -16.160 -3.297 1.167 1.00 1.24 H new ATOM 0 HB2 ALA A 36 -15.571 -2.298 -0.182 1.00 1.24 H new ATOM 0 HB3 ALA A 36 -15.356 -1.744 1.495 1.00 1.24 H new ATOM 567 N ALA A 37 -19.174 -2.283 2.194 1.00 2.22 N ATOM 568 CA ALA A 37 -19.919 -2.387 3.443 1.00 62.13 C ATOM 569 C ALA A 37 -19.662 -3.726 4.125 1.00 25.23 C ATOM 570 O ALA A 37 -20.590 -4.491 4.383 1.00 1.04 O ATOM 571 CB ALA A 37 -21.407 -2.200 3.186 1.00 21.54 C ATOM 0 H ALA A 37 -19.597 -2.777 1.408 1.00 2.22 H new ATOM 0 HA ALA A 37 -19.574 -1.597 4.111 1.00 62.13 H new ATOM 0 HB1 ALA A 37 -21.952 -2.280 4.127 1.00 21.54 H new ATOM 0 HB2 ALA A 37 -21.580 -1.216 2.749 1.00 21.54 H new ATOM 0 HB3 ALA A 37 -21.757 -2.969 2.498 1.00 21.54 H new ATOM 577 N GLY A 38 -18.394 -4.004 4.415 1.00 42.02 N ATOM 578 CA GLY A 38 -18.037 -5.252 5.064 1.00 14.12 C ATOM 579 C GLY A 38 -16.880 -5.952 4.380 1.00 51.23 C ATOM 580 O GLY A 38 -15.747 -5.939 4.861 1.00 60.41 O ATOM 0 H GLY A 38 -17.608 -3.387 4.212 1.00 42.02 H new ATOM 0 HA2 GLY A 38 -17.775 -5.055 6.104 1.00 14.12 H new ATOM 0 HA3 GLY A 38 -18.903 -5.914 5.073 1.00 14.12 H new ATOM 584 N PRO A 39 -17.161 -6.582 3.229 1.00 13.43 N ATOM 585 CA PRO A 39 -16.148 -7.303 2.454 1.00 40.04 C ATOM 586 C PRO A 39 -15.136 -6.364 1.806 1.00 54.41 C ATOM 587 O PRO A 39 -15.108 -5.169 2.099 1.00 64.10 O ATOM 588 CB PRO A 39 -16.969 -8.025 1.383 1.00 60.45 C ATOM 589 CG PRO A 39 -18.204 -7.205 1.234 1.00 4.11 C ATOM 590 CD PRO A 39 -18.490 -6.638 2.597 1.00 40.51 C ATOM 0 HA PRO A 39 -15.556 -7.971 3.079 1.00 40.04 H new ATOM 0 HB2 PRO A 39 -16.422 -8.091 0.443 1.00 60.45 H new ATOM 0 HB3 PRO A 39 -17.205 -9.045 1.686 1.00 60.45 H new ATOM 0 HG2 PRO A 39 -18.059 -6.410 0.503 1.00 4.11 H new ATOM 0 HG3 PRO A 39 -19.037 -7.814 0.882 1.00 4.11 H new ATOM 0 HD2 PRO A 39 -18.947 -5.650 2.534 1.00 40.51 H new ATOM 0 HD3 PRO A 39 -19.176 -7.271 3.160 1.00 40.51 H new ATOM 598 N GLY A 40 -14.307 -6.912 0.923 1.00 53.23 N ATOM 599 CA GLY A 40 -13.306 -6.108 0.247 1.00 4.21 C ATOM 600 C GLY A 40 -12.256 -6.953 -0.448 1.00 12.43 C ATOM 601 O GLY A 40 -12.236 -7.072 -1.673 1.00 1.41 O ATOM 0 H GLY A 40 -14.311 -7.899 0.664 1.00 53.23 H new ATOM 0 HA2 GLY A 40 -13.795 -5.466 -0.486 1.00 4.21 H new ATOM 0 HA3 GLY A 40 -12.820 -5.454 0.971 1.00 4.21 H new ATOM 605 N PRO A 41 -11.358 -7.556 0.344 1.00 25.31 N ATOM 606 CA PRO A 41 -10.283 -8.404 -0.181 1.00 2.22 C ATOM 607 C PRO A 41 -10.807 -9.717 -0.753 1.00 3.35 C ATOM 608 O PRO A 41 -10.327 -10.191 -1.783 1.00 72.20 O ATOM 609 CB PRO A 41 -9.407 -8.667 1.047 1.00 42.34 C ATOM 610 CG PRO A 41 -10.327 -8.514 2.208 1.00 21.53 C ATOM 611 CD PRO A 41 -11.322 -7.458 1.813 1.00 63.40 C ATOM 0 HA PRO A 41 -9.753 -7.927 -1.005 1.00 2.22 H new ATOM 0 HB2 PRO A 41 -8.971 -9.666 1.016 1.00 42.34 H new ATOM 0 HB3 PRO A 41 -8.579 -7.960 1.102 1.00 42.34 H new ATOM 0 HG2 PRO A 41 -10.827 -9.455 2.436 1.00 21.53 H new ATOM 0 HG3 PRO A 41 -9.780 -8.219 3.103 1.00 21.53 H new ATOM 0 HD2 PRO A 41 -12.302 -7.645 2.252 1.00 63.40 H new ATOM 0 HD3 PRO A 41 -11.009 -6.467 2.142 1.00 63.40 H new ATOM 619 N CYS A 42 -11.792 -10.298 -0.078 1.00 74.54 N ATOM 620 CA CYS A 42 -12.381 -11.558 -0.520 1.00 14.22 C ATOM 621 C CYS A 42 -12.985 -11.417 -1.913 1.00 41.24 C ATOM 622 O CYS A 42 -12.622 -12.149 -2.834 1.00 12.43 O ATOM 623 CB CYS A 42 -13.453 -12.018 0.469 1.00 13.23 C ATOM 624 SG CYS A 42 -14.396 -13.459 -0.081 1.00 63.41 S ATOM 0 H CYS A 42 -12.200 -9.918 0.776 1.00 74.54 H new ATOM 0 HA CYS A 42 -11.589 -12.306 -0.561 1.00 14.22 H new ATOM 0 HB2 CYS A 42 -12.977 -12.251 1.422 1.00 13.23 H new ATOM 0 HB3 CYS A 42 -14.143 -11.194 0.650 1.00 13.23 H new ATOM 0 HG CYS A 42 -15.648 -13.305 0.235 1.00 63.41 H new ATOM 630 N GLU A 43 -13.909 -10.472 -2.060 1.00 22.22 N ATOM 631 CA GLU A 43 -14.564 -10.238 -3.341 1.00 54.21 C ATOM 632 C GLU A 43 -13.543 -9.882 -4.418 1.00 30.52 C ATOM 633 O GLU A 43 -13.747 -10.163 -5.599 1.00 34.31 O ATOM 634 CB GLU A 43 -15.598 -9.117 -3.213 1.00 3.41 C ATOM 635 CG GLU A 43 -15.027 -7.824 -2.656 1.00 2.55 C ATOM 636 CD GLU A 43 -16.097 -6.908 -2.093 1.00 23.22 C ATOM 637 OE1 GLU A 43 -17.280 -7.308 -2.091 1.00 25.23 O ATOM 638 OE2 GLU A 43 -15.750 -5.791 -1.654 1.00 73.31 O ATOM 0 H GLU A 43 -14.220 -9.857 -1.308 1.00 22.22 H new ATOM 0 HA GLU A 43 -15.070 -11.158 -3.634 1.00 54.21 H new ATOM 0 HB2 GLU A 43 -16.032 -8.920 -4.193 1.00 3.41 H new ATOM 0 HB3 GLU A 43 -16.409 -9.454 -2.568 1.00 3.41 H new ATOM 0 HG2 GLU A 43 -14.305 -8.057 -1.873 1.00 2.55 H new ATOM 0 HG3 GLU A 43 -14.485 -7.302 -3.444 1.00 2.55 H new ATOM 645 N ARG A 44 -12.444 -9.263 -4.001 1.00 2.32 N ATOM 646 CA ARG A 44 -11.391 -8.867 -4.929 1.00 32.02 C ATOM 647 C ARG A 44 -10.534 -10.067 -5.323 1.00 15.34 C ATOM 648 O ARG A 44 -9.983 -10.115 -6.423 1.00 74.12 O ATOM 649 CB ARG A 44 -10.512 -7.782 -4.304 1.00 32.23 C ATOM 650 CG ARG A 44 -10.792 -6.388 -4.840 1.00 10.33 C ATOM 651 CD ARG A 44 -12.255 -6.009 -4.670 1.00 71.15 C ATOM 652 NE ARG A 44 -13.020 -6.218 -5.897 1.00 42.31 N ATOM 653 CZ ARG A 44 -13.005 -5.376 -6.924 1.00 54.53 C ATOM 654 NH1 ARG A 44 -12.269 -4.274 -6.873 1.00 21.24 N ATOM 655 NH2 ARG A 44 -13.728 -5.635 -8.006 1.00 53.44 N ATOM 0 H ARG A 44 -12.259 -9.025 -3.027 1.00 2.32 H new ATOM 0 HA ARG A 44 -11.864 -8.469 -5.827 1.00 32.02 H new ATOM 0 HB2 ARG A 44 -10.660 -7.783 -3.224 1.00 32.23 H new ATOM 0 HB3 ARG A 44 -9.465 -8.027 -4.482 1.00 32.23 H new ATOM 0 HG2 ARG A 44 -10.165 -5.664 -4.320 1.00 10.33 H new ATOM 0 HG3 ARG A 44 -10.523 -6.342 -5.895 1.00 10.33 H new ATOM 0 HD2 ARG A 44 -12.692 -6.600 -3.865 1.00 71.15 H new ATOM 0 HD3 ARG A 44 -12.326 -4.963 -4.372 1.00 71.15 H new ATOM 0 HE ARG A 44 -13.597 -7.056 -5.969 1.00 42.31 H new ATOM 0 HH11 ARG A 44 -11.712 -4.071 -6.043 1.00 21.24 H new ATOM 0 HH12 ARG A 44 -12.260 -3.630 -7.664 1.00 21.24 H new ATOM 0 HH21 ARG A 44 -14.296 -6.481 -8.049 1.00 53.44 H new ATOM 0 HH22 ARG A 44 -13.716 -4.988 -8.794 1.00 53.44 H new ATOM 669 N LEU A 45 -10.426 -11.032 -4.417 1.00 32.50 N ATOM 670 CA LEU A 45 -9.636 -12.233 -4.669 1.00 10.40 C ATOM 671 C LEU A 45 -10.426 -13.240 -5.499 1.00 25.14 C ATOM 672 O LEU A 45 -9.973 -13.680 -6.557 1.00 11.53 O ATOM 673 CB LEU A 45 -9.205 -12.870 -3.347 1.00 44.10 C ATOM 674 CG LEU A 45 -8.666 -14.298 -3.435 1.00 33.43 C ATOM 675 CD1 LEU A 45 -7.535 -14.381 -4.448 1.00 21.34 C ATOM 676 CD2 LEU A 45 -8.197 -14.777 -2.068 1.00 54.52 C ATOM 0 H LEU A 45 -10.875 -11.007 -3.502 1.00 32.50 H new ATOM 0 HA LEU A 45 -8.749 -11.943 -5.232 1.00 10.40 H new ATOM 0 HB2 LEU A 45 -8.438 -12.240 -2.896 1.00 44.10 H new ATOM 0 HB3 LEU A 45 -10.059 -12.866 -2.669 1.00 44.10 H new ATOM 0 HG LEU A 45 -9.473 -14.950 -3.769 1.00 33.43 H new ATOM 0 HD11 LEU A 45 -7.164 -15.405 -4.497 1.00 21.34 H new ATOM 0 HD12 LEU A 45 -7.903 -14.081 -5.429 1.00 21.34 H new ATOM 0 HD13 LEU A 45 -6.726 -13.716 -4.145 1.00 21.34 H new ATOM 0 HD21 LEU A 45 -7.817 -15.795 -2.150 1.00 54.52 H new ATOM 0 HD22 LEU A 45 -7.405 -14.122 -1.705 1.00 54.52 H new ATOM 0 HD23 LEU A 45 -9.033 -14.757 -1.369 1.00 54.52 H new ATOM 688 N LEU A 46 -11.608 -13.601 -5.013 1.00 53.42 N ATOM 689 CA LEU A 46 -12.463 -14.555 -5.711 1.00 11.01 C ATOM 690 C LEU A 46 -12.663 -14.144 -7.166 1.00 73.01 C ATOM 691 O LEU A 46 -12.880 -14.988 -8.036 1.00 11.13 O ATOM 692 CB LEU A 46 -13.818 -14.664 -5.009 1.00 23.50 C ATOM 693 CG LEU A 46 -13.888 -15.640 -3.834 1.00 22.41 C ATOM 694 CD1 LEU A 46 -13.720 -17.072 -4.318 1.00 61.24 C ATOM 695 CD2 LEU A 46 -12.830 -15.300 -2.794 1.00 14.10 C ATOM 0 H LEU A 46 -11.996 -13.248 -4.139 1.00 53.42 H new ATOM 0 HA LEU A 46 -11.971 -15.528 -5.692 1.00 11.01 H new ATOM 0 HB2 LEU A 46 -14.100 -13.674 -4.650 1.00 23.50 H new ATOM 0 HB3 LEU A 46 -14.564 -14.960 -5.746 1.00 23.50 H new ATOM 0 HG LEU A 46 -14.870 -15.548 -3.369 1.00 22.41 H new ATOM 0 HD11 LEU A 46 -13.773 -17.752 -3.468 1.00 61.24 H new ATOM 0 HD12 LEU A 46 -14.514 -17.313 -5.025 1.00 61.24 H new ATOM 0 HD13 LEU A 46 -12.753 -17.179 -4.809 1.00 61.24 H new ATOM 0 HD21 LEU A 46 -12.895 -16.005 -1.965 1.00 14.10 H new ATOM 0 HD22 LEU A 46 -11.841 -15.363 -3.247 1.00 14.10 H new ATOM 0 HD23 LEU A 46 -12.996 -14.288 -2.424 1.00 14.10 H new ATOM 707 N SER A 47 -12.587 -12.842 -7.424 1.00 31.30 N ATOM 708 CA SER A 47 -12.762 -12.319 -8.774 1.00 4.12 C ATOM 709 C SER A 47 -11.635 -12.789 -9.689 1.00 22.14 C ATOM 710 O SER A 47 -11.872 -13.190 -10.828 1.00 50.33 O ATOM 711 CB SER A 47 -12.809 -10.790 -8.749 1.00 1.05 C ATOM 712 OG SER A 47 -14.025 -10.308 -9.294 1.00 20.32 O ATOM 0 H SER A 47 -12.405 -12.130 -6.716 1.00 31.30 H new ATOM 0 HA SER A 47 -13.706 -12.698 -9.165 1.00 4.12 H new ATOM 0 HB2 SER A 47 -12.701 -10.436 -7.724 1.00 1.05 H new ATOM 0 HB3 SER A 47 -11.969 -10.388 -9.315 1.00 1.05 H new ATOM 0 HG SER A 47 -14.031 -9.328 -9.265 1.00 20.32 H new ATOM 718 N ARG A 48 -10.408 -12.737 -9.180 1.00 41.15 N ATOM 719 CA ARG A 48 -9.243 -13.156 -9.951 1.00 53.11 C ATOM 720 C ARG A 48 -9.298 -14.651 -10.249 1.00 23.53 C ATOM 721 O ARG A 48 -9.183 -15.071 -11.401 1.00 13.54 O ATOM 722 CB ARG A 48 -7.957 -12.822 -9.193 1.00 61.34 C ATOM 723 CG ARG A 48 -7.955 -11.432 -8.579 1.00 32.24 C ATOM 724 CD ARG A 48 -8.290 -10.366 -9.610 1.00 73.42 C ATOM 725 NE ARG A 48 -7.580 -9.116 -9.356 1.00 64.11 N ATOM 726 CZ ARG A 48 -6.291 -8.936 -9.624 1.00 11.30 C ATOM 727 NH1 ARG A 48 -5.576 -9.920 -10.152 1.00 12.24 N ATOM 728 NH2 ARG A 48 -5.715 -7.769 -9.364 1.00 53.24 N ATOM 0 H ARG A 48 -10.195 -12.409 -8.238 1.00 41.15 H new ATOM 0 HA ARG A 48 -9.250 -12.614 -10.897 1.00 53.11 H new ATOM 0 HB2 ARG A 48 -7.809 -13.559 -8.403 1.00 61.34 H new ATOM 0 HB3 ARG A 48 -7.111 -12.910 -9.874 1.00 61.34 H new ATOM 0 HG2 ARG A 48 -8.678 -11.392 -7.765 1.00 32.24 H new ATOM 0 HG3 ARG A 48 -6.976 -11.226 -8.146 1.00 32.24 H new ATOM 0 HD2 ARG A 48 -8.036 -10.731 -10.605 1.00 73.42 H new ATOM 0 HD3 ARG A 48 -9.364 -10.180 -9.604 1.00 73.42 H new ATOM 0 HE ARG A 48 -8.102 -8.339 -8.951 1.00 64.11 H new ATOM 0 HH11 ARG A 48 -6.015 -10.818 -10.354 1.00 12.24 H new ATOM 0 HH12 ARG A 48 -4.587 -9.779 -10.357 1.00 12.24 H new ATOM 0 HH21 ARG A 48 -6.262 -7.010 -8.958 1.00 53.24 H new ATOM 0 HH22 ARG A 48 -4.726 -7.632 -9.570 1.00 53.24 H new ATOM 742 N VAL A 49 -9.473 -15.452 -9.202 1.00 64.00 N ATOM 743 CA VAL A 49 -9.543 -16.901 -9.351 1.00 3.32 C ATOM 744 C VAL A 49 -10.525 -17.293 -10.448 1.00 71.55 C ATOM 745 O VAL A 49 -10.339 -18.301 -11.131 1.00 12.34 O ATOM 746 CB VAL A 49 -9.963 -17.581 -8.034 1.00 44.50 C ATOM 747 CG1 VAL A 49 -10.079 -19.085 -8.223 1.00 65.31 C ATOM 748 CG2 VAL A 49 -8.975 -17.249 -6.925 1.00 53.33 C ATOM 0 H VAL A 49 -9.569 -15.122 -8.242 1.00 64.00 H new ATOM 0 HA VAL A 49 -8.544 -17.240 -9.624 1.00 3.32 H new ATOM 0 HB VAL A 49 -10.942 -17.199 -7.744 1.00 44.50 H new ATOM 0 HG11 VAL A 49 -10.377 -19.548 -7.282 1.00 65.31 H new ATOM 0 HG12 VAL A 49 -10.828 -19.299 -8.986 1.00 65.31 H new ATOM 0 HG13 VAL A 49 -9.116 -19.488 -8.537 1.00 65.31 H new ATOM 0 HG21 VAL A 49 -9.287 -17.737 -6.002 1.00 53.33 H new ATOM 0 HG22 VAL A 49 -7.982 -17.602 -7.205 1.00 53.33 H new ATOM 0 HG23 VAL A 49 -8.947 -16.170 -6.773 1.00 53.33 H new ATOM 758 N ALA A 50 -11.571 -16.491 -10.614 1.00 14.34 N ATOM 759 CA ALA A 50 -12.582 -16.753 -11.630 1.00 54.23 C ATOM 760 C ALA A 50 -12.023 -16.528 -13.031 1.00 54.21 C ATOM 761 O ALA A 50 -12.124 -17.397 -13.898 1.00 11.44 O ATOM 762 CB ALA A 50 -13.803 -15.874 -11.400 1.00 30.34 C ATOM 0 H ALA A 50 -11.740 -15.653 -10.057 1.00 14.34 H new ATOM 0 HA ALA A 50 -12.880 -17.798 -11.549 1.00 54.23 H new ATOM 0 HB1 ALA A 50 -14.550 -16.081 -12.167 1.00 30.34 H new ATOM 0 HB2 ALA A 50 -14.224 -16.086 -10.417 1.00 30.34 H new ATOM 0 HB3 ALA A 50 -13.511 -14.825 -11.451 1.00 30.34 H new ATOM 768 N VAL A 51 -11.434 -15.356 -13.247 1.00 54.11 N ATOM 769 CA VAL A 51 -10.859 -15.017 -14.543 1.00 41.11 C ATOM 770 C VAL A 51 -9.603 -15.836 -14.818 1.00 3.12 C ATOM 771 O VAL A 51 -9.196 -16.002 -15.969 1.00 21.14 O ATOM 772 CB VAL A 51 -10.511 -13.519 -14.628 1.00 44.10 C ATOM 773 CG1 VAL A 51 -9.611 -13.113 -13.470 1.00 75.12 C ATOM 774 CG2 VAL A 51 -9.852 -13.200 -15.962 1.00 35.11 C ATOM 0 H VAL A 51 -11.343 -14.626 -12.541 1.00 54.11 H new ATOM 0 HA VAL A 51 -11.613 -15.250 -15.295 1.00 41.11 H new ATOM 0 HB VAL A 51 -11.435 -12.945 -14.558 1.00 44.10 H new ATOM 0 HG11 VAL A 51 -9.376 -12.051 -13.547 1.00 75.12 H new ATOM 0 HG12 VAL A 51 -10.123 -13.304 -12.527 1.00 75.12 H new ATOM 0 HG13 VAL A 51 -8.689 -13.693 -13.506 1.00 75.12 H new ATOM 0 HG21 VAL A 51 -9.613 -12.137 -16.005 1.00 35.11 H new ATOM 0 HG22 VAL A 51 -8.936 -13.782 -16.064 1.00 35.11 H new ATOM 0 HG23 VAL A 51 -10.534 -13.451 -16.774 1.00 35.11 H new ATOM 784 N LEU A 52 -8.992 -16.346 -13.754 1.00 61.44 N ATOM 785 CA LEU A 52 -7.781 -17.150 -13.880 1.00 42.11 C ATOM 786 C LEU A 52 -8.123 -18.618 -14.111 1.00 60.30 C ATOM 787 O LEU A 52 -7.400 -19.333 -14.806 1.00 33.24 O ATOM 788 CB LEU A 52 -6.918 -17.007 -12.625 1.00 43.23 C ATOM 789 CG LEU A 52 -6.370 -15.607 -12.343 1.00 75.11 C ATOM 790 CD1 LEU A 52 -5.831 -15.521 -10.924 1.00 32.03 C ATOM 791 CD2 LEU A 52 -5.288 -15.245 -13.350 1.00 13.44 C ATOM 0 H LEU A 52 -9.315 -16.217 -12.795 1.00 61.44 H new ATOM 0 HA LEU A 52 -7.222 -16.787 -14.742 1.00 42.11 H new ATOM 0 HB2 LEU A 52 -7.507 -17.325 -11.765 1.00 43.23 H new ATOM 0 HB3 LEU A 52 -6.077 -17.695 -12.707 1.00 43.23 H new ATOM 0 HG LEU A 52 -7.186 -14.891 -12.444 1.00 75.11 H new ATOM 0 HD11 LEU A 52 -5.445 -14.518 -10.741 1.00 32.03 H new ATOM 0 HD12 LEU A 52 -6.632 -15.736 -10.217 1.00 32.03 H new ATOM 0 HD13 LEU A 52 -5.029 -16.247 -10.795 1.00 32.03 H new ATOM 0 HD21 LEU A 52 -4.910 -14.246 -13.134 1.00 13.44 H new ATOM 0 HD22 LEU A 52 -4.472 -15.965 -13.282 1.00 13.44 H new ATOM 0 HD23 LEU A 52 -5.706 -15.265 -14.356 1.00 13.44 H new ATOM 803 N PHE A 53 -9.231 -19.061 -13.526 1.00 22.42 N ATOM 804 CA PHE A 53 -9.670 -20.445 -13.669 1.00 11.43 C ATOM 805 C PHE A 53 -11.041 -20.514 -14.335 1.00 11.31 C ATOM 806 O PHE A 53 -12.047 -20.850 -13.710 1.00 21.43 O ATOM 807 CB PHE A 53 -9.720 -21.130 -12.302 1.00 4.04 C ATOM 808 CG PHE A 53 -8.370 -21.295 -11.665 1.00 25.25 C ATOM 809 CD1 PHE A 53 -7.549 -22.356 -12.013 1.00 54.03 C ATOM 810 CD2 PHE A 53 -7.921 -20.390 -10.716 1.00 42.14 C ATOM 811 CE1 PHE A 53 -6.306 -22.511 -11.429 1.00 52.23 C ATOM 812 CE2 PHE A 53 -6.679 -20.539 -10.129 1.00 64.23 C ATOM 813 CZ PHE A 53 -5.871 -21.602 -10.485 1.00 42.42 C ATOM 0 H PHE A 53 -9.841 -18.482 -12.949 1.00 22.42 H new ATOM 0 HA PHE A 53 -8.951 -20.965 -14.302 1.00 11.43 H new ATOM 0 HB2 PHE A 53 -10.358 -20.549 -11.636 1.00 4.04 H new ATOM 0 HB3 PHE A 53 -10.183 -22.110 -12.412 1.00 4.04 H new ATOM 0 HD1 PHE A 53 -7.885 -23.071 -12.750 1.00 54.03 H new ATOM 0 HD2 PHE A 53 -8.549 -19.559 -10.432 1.00 42.14 H new ATOM 0 HE1 PHE A 53 -5.676 -23.342 -11.711 1.00 52.23 H new ATOM 0 HE2 PHE A 53 -6.340 -19.825 -9.393 1.00 64.23 H new ATOM 0 HZ PHE A 53 -4.901 -21.722 -10.026 1.00 42.42 H new ATOM 823 N PRO A 54 -11.084 -20.187 -15.635 1.00 43.30 N ATOM 824 CA PRO A 54 -12.325 -20.204 -16.415 1.00 44.42 C ATOM 825 C PRO A 54 -12.840 -21.619 -16.654 1.00 13.35 C ATOM 826 O PRO A 54 -13.963 -21.810 -17.119 1.00 13.00 O ATOM 827 CB PRO A 54 -11.920 -19.552 -17.740 1.00 3.12 C ATOM 828 CG PRO A 54 -10.454 -19.797 -17.850 1.00 75.34 C ATOM 829 CD PRO A 54 -9.924 -19.776 -16.444 1.00 3.24 C ATOM 0 HA PRO A 54 -13.137 -19.689 -15.901 1.00 44.42 H new ATOM 0 HB2 PRO A 54 -12.459 -19.992 -18.579 1.00 3.12 H new ATOM 0 HB3 PRO A 54 -12.144 -18.485 -17.741 1.00 3.12 H new ATOM 0 HG2 PRO A 54 -10.253 -20.756 -18.328 1.00 75.34 H new ATOM 0 HG3 PRO A 54 -9.975 -19.030 -18.459 1.00 75.34 H new ATOM 0 HD2 PRO A 54 -9.085 -20.461 -16.321 1.00 3.24 H new ATOM 0 HD3 PRO A 54 -9.569 -18.784 -16.163 1.00 3.24 H new ATOM 837 N ALA A 55 -12.013 -22.607 -16.331 1.00 23.30 N ATOM 838 CA ALA A 55 -12.387 -24.005 -16.508 1.00 3.02 C ATOM 839 C ALA A 55 -13.681 -24.325 -15.767 1.00 42.03 C ATOM 840 O ALA A 55 -14.405 -25.252 -16.133 1.00 64.12 O ATOM 841 CB ALA A 55 -11.265 -24.916 -16.032 1.00 2.24 C ATOM 0 H ALA A 55 -11.079 -22.466 -15.945 1.00 23.30 H new ATOM 0 HA ALA A 55 -12.555 -24.179 -17.571 1.00 3.02 H new ATOM 0 HB1 ALA A 55 -11.558 -25.957 -16.170 1.00 2.24 H new ATOM 0 HB2 ALA A 55 -10.363 -24.714 -16.609 1.00 2.24 H new ATOM 0 HB3 ALA A 55 -11.070 -24.731 -14.976 1.00 2.24 H new ATOM 847 N LEU A 56 -13.966 -23.553 -14.724 1.00 73.34 N ATOM 848 CA LEU A 56 -15.174 -23.755 -13.931 1.00 61.12 C ATOM 849 C LEU A 56 -16.048 -22.505 -13.943 1.00 31.22 C ATOM 850 O LEU A 56 -15.751 -21.534 -14.639 1.00 72.43 O ATOM 851 CB LEU A 56 -14.807 -24.122 -12.492 1.00 52.41 C ATOM 852 CG LEU A 56 -13.870 -23.152 -11.771 1.00 32.34 C ATOM 853 CD1 LEU A 56 -14.644 -22.304 -10.774 1.00 14.31 C ATOM 854 CD2 LEU A 56 -12.752 -23.912 -11.072 1.00 31.02 C ATOM 0 H LEU A 56 -13.378 -22.782 -14.408 1.00 73.34 H new ATOM 0 HA LEU A 56 -15.739 -24.575 -14.375 1.00 61.12 H new ATOM 0 HB2 LEU A 56 -15.727 -24.205 -11.913 1.00 52.41 H new ATOM 0 HB3 LEU A 56 -14.343 -25.108 -12.497 1.00 52.41 H new ATOM 0 HG LEU A 56 -13.424 -22.489 -12.512 1.00 32.34 H new ATOM 0 HD11 LEU A 56 -13.961 -21.620 -10.271 1.00 14.31 H new ATOM 0 HD12 LEU A 56 -15.409 -21.732 -11.299 1.00 14.31 H new ATOM 0 HD13 LEU A 56 -15.118 -22.952 -10.036 1.00 14.31 H new ATOM 0 HD21 LEU A 56 -12.095 -23.206 -10.564 1.00 31.02 H new ATOM 0 HD22 LEU A 56 -13.180 -24.599 -10.342 1.00 31.02 H new ATOM 0 HD23 LEU A 56 -12.179 -24.476 -11.809 1.00 31.02 H new ATOM 866 N ARG A 57 -17.126 -22.536 -13.165 1.00 43.24 N ATOM 867 CA ARG A 57 -18.042 -21.405 -13.085 1.00 75.15 C ATOM 868 C ARG A 57 -17.315 -20.147 -12.619 1.00 71.33 C ATOM 869 O ARG A 57 -16.263 -20.209 -11.983 1.00 43.22 O ATOM 870 CB ARG A 57 -19.196 -21.723 -12.132 1.00 50.23 C ATOM 871 CG ARG A 57 -20.258 -22.625 -12.740 1.00 43.43 C ATOM 872 CD ARG A 57 -19.825 -24.082 -12.726 1.00 33.41 C ATOM 873 NE ARG A 57 -20.966 -24.991 -12.650 1.00 72.12 N ATOM 874 CZ ARG A 57 -21.617 -25.262 -11.524 1.00 44.31 C ATOM 875 NH1 ARG A 57 -21.241 -24.696 -10.385 1.00 70.13 N ATOM 876 NH2 ARG A 57 -22.646 -26.099 -11.536 1.00 24.42 N ATOM 0 H ARG A 57 -17.386 -23.332 -12.582 1.00 43.24 H new ATOM 0 HA ARG A 57 -18.442 -21.223 -14.082 1.00 75.15 H new ATOM 0 HB2 ARG A 57 -18.796 -22.199 -11.237 1.00 50.23 H new ATOM 0 HB3 ARG A 57 -19.662 -20.790 -11.815 1.00 50.23 H new ATOM 0 HG2 ARG A 57 -21.190 -22.516 -12.186 1.00 43.43 H new ATOM 0 HG3 ARG A 57 -20.458 -22.314 -13.765 1.00 43.43 H new ATOM 0 HD2 ARG A 57 -19.249 -24.298 -13.626 1.00 33.41 H new ATOM 0 HD3 ARG A 57 -19.165 -24.256 -11.876 1.00 33.41 H new ATOM 0 HE ARG A 57 -21.280 -25.443 -13.509 1.00 72.12 H new ATOM 0 HH11 ARG A 57 -20.451 -24.051 -10.372 1.00 70.13 H new ATOM 0 HH12 ARG A 57 -21.742 -24.905 -9.522 1.00 70.13 H new ATOM 0 HH21 ARG A 57 -22.938 -26.535 -12.410 1.00 24.42 H new ATOM 0 HH22 ARG A 57 -23.145 -26.306 -10.671 1.00 24.42 H new ATOM 890 N PRO A 58 -17.887 -18.978 -12.943 1.00 34.21 N ATOM 891 CA PRO A 58 -17.311 -17.684 -12.567 1.00 42.24 C ATOM 892 C PRO A 58 -17.398 -17.423 -11.068 1.00 31.55 C ATOM 893 O PRO A 58 -16.413 -17.047 -10.434 1.00 64.54 O ATOM 894 CB PRO A 58 -18.170 -16.677 -13.336 1.00 3.51 C ATOM 895 CG PRO A 58 -19.471 -17.371 -13.546 1.00 10.21 C ATOM 896 CD PRO A 58 -19.142 -18.830 -13.700 1.00 2.13 C ATOM 0 HA PRO A 58 -16.248 -17.627 -12.803 1.00 42.24 H new ATOM 0 HB2 PRO A 58 -18.300 -15.754 -12.770 1.00 3.51 H new ATOM 0 HB3 PRO A 58 -17.708 -16.406 -14.285 1.00 3.51 H new ATOM 0 HG2 PRO A 58 -20.140 -17.209 -12.701 1.00 10.21 H new ATOM 0 HG3 PRO A 58 -19.978 -16.990 -14.432 1.00 10.21 H new ATOM 0 HD2 PRO A 58 -19.931 -19.465 -13.297 1.00 2.13 H new ATOM 0 HD3 PRO A 58 -19.015 -19.105 -14.747 1.00 2.13 H new ATOM 904 N GLY A 59 -18.585 -17.627 -10.504 1.00 54.42 N ATOM 905 CA GLY A 59 -18.779 -17.409 -9.082 1.00 61.05 C ATOM 906 C GLY A 59 -19.322 -18.636 -8.377 1.00 11.31 C ATOM 907 O GLY A 59 -19.809 -18.548 -7.250 1.00 44.13 O ATOM 0 H GLY A 59 -19.416 -17.939 -11.007 1.00 54.42 H new ATOM 0 HA2 GLY A 59 -17.830 -17.123 -8.628 1.00 61.05 H new ATOM 0 HA3 GLY A 59 -19.466 -16.576 -8.936 1.00 61.05 H new ATOM 911 N GLY A 60 -19.241 -19.784 -9.042 1.00 62.12 N ATOM 912 CA GLY A 60 -19.734 -21.017 -8.457 1.00 20.01 C ATOM 913 C GLY A 60 -18.618 -21.891 -7.919 1.00 41.52 C ATOM 914 O GLY A 60 -18.530 -23.073 -8.252 1.00 0.33 O ATOM 0 H GLY A 60 -18.843 -19.882 -9.976 1.00 62.12 H new ATOM 0 HA2 GLY A 60 -20.427 -20.781 -7.650 1.00 20.01 H new ATOM 0 HA3 GLY A 60 -20.296 -21.572 -9.208 1.00 20.01 H new ATOM 918 N PHE A 61 -17.761 -21.308 -7.087 1.00 13.11 N ATOM 919 CA PHE A 61 -16.643 -22.041 -6.504 1.00 52.51 C ATOM 920 C PHE A 61 -16.302 -21.500 -5.119 1.00 4.32 C ATOM 921 O PHE A 61 -16.639 -20.365 -4.784 1.00 53.44 O ATOM 922 CB PHE A 61 -15.417 -21.951 -7.415 1.00 72.53 C ATOM 923 CG PHE A 61 -14.743 -20.610 -7.383 1.00 41.35 C ATOM 924 CD1 PHE A 61 -15.297 -19.525 -8.044 1.00 34.15 C ATOM 925 CD2 PHE A 61 -13.554 -20.433 -6.694 1.00 31.31 C ATOM 926 CE1 PHE A 61 -14.680 -18.289 -8.016 1.00 4.10 C ATOM 927 CE2 PHE A 61 -12.932 -19.200 -6.662 1.00 51.44 C ATOM 928 CZ PHE A 61 -13.495 -18.126 -7.325 1.00 62.33 C ATOM 0 H PHE A 61 -17.819 -20.331 -6.801 1.00 13.11 H new ATOM 0 HA PHE A 61 -16.938 -23.086 -6.404 1.00 52.51 H new ATOM 0 HB2 PHE A 61 -14.699 -22.717 -7.121 1.00 72.53 H new ATOM 0 HB3 PHE A 61 -15.718 -22.173 -8.439 1.00 72.53 H new ATOM 0 HD1 PHE A 61 -16.222 -19.647 -8.588 1.00 34.15 H new ATOM 0 HD2 PHE A 61 -13.108 -21.269 -6.176 1.00 31.31 H new ATOM 0 HE1 PHE A 61 -15.124 -17.451 -8.534 1.00 4.10 H new ATOM 0 HE2 PHE A 61 -12.007 -19.075 -6.119 1.00 51.44 H new ATOM 0 HZ PHE A 61 -13.010 -17.161 -7.303 1.00 62.33 H new ATOM 938 N GLN A 62 -15.631 -22.322 -4.318 1.00 45.53 N ATOM 939 CA GLN A 62 -15.244 -21.926 -2.969 1.00 34.41 C ATOM 940 C GLN A 62 -13.756 -22.163 -2.737 1.00 63.13 C ATOM 941 O GLN A 62 -13.243 -23.252 -2.993 1.00 74.41 O ATOM 942 CB GLN A 62 -16.063 -22.701 -1.934 1.00 40.52 C ATOM 943 CG GLN A 62 -17.006 -21.825 -1.126 1.00 13.44 C ATOM 944 CD GLN A 62 -16.313 -20.616 -0.529 1.00 42.42 C ATOM 945 OE1 GLN A 62 -16.828 -19.499 -0.587 1.00 41.44 O ATOM 946 NE2 GLN A 62 -15.137 -20.833 0.049 1.00 14.53 N ATOM 0 H GLN A 62 -15.344 -23.265 -4.580 1.00 45.53 H new ATOM 0 HA GLN A 62 -15.444 -20.860 -2.859 1.00 34.41 H new ATOM 0 HB2 GLN A 62 -16.642 -23.471 -2.444 1.00 40.52 H new ATOM 0 HB3 GLN A 62 -15.383 -23.213 -1.253 1.00 40.52 H new ATOM 0 HG2 GLN A 62 -17.823 -21.491 -1.765 1.00 13.44 H new ATOM 0 HG3 GLN A 62 -17.449 -22.417 -0.325 1.00 13.44 H new ATOM 0 HE21 GLN A 62 -14.747 -21.775 0.074 1.00 14.53 H new ATOM 0 HE22 GLN A 62 -14.624 -20.057 0.468 1.00 14.53 H new ATOM 955 N ALA A 63 -13.067 -21.135 -2.252 1.00 64.51 N ATOM 956 CA ALA A 63 -11.637 -21.232 -1.985 1.00 30.43 C ATOM 957 C ALA A 63 -11.375 -21.621 -0.534 1.00 31.53 C ATOM 958 O ALA A 63 -11.859 -20.969 0.392 1.00 40.33 O ATOM 959 CB ALA A 63 -10.948 -19.916 -2.313 1.00 13.03 C ATOM 0 H ALA A 63 -13.476 -20.226 -2.036 1.00 64.51 H new ATOM 0 HA ALA A 63 -11.226 -22.014 -2.624 1.00 30.43 H new ATOM 0 HB1 ALA A 63 -9.881 -20.003 -2.109 1.00 13.03 H new ATOM 0 HB2 ALA A 63 -11.098 -19.680 -3.366 1.00 13.03 H new ATOM 0 HB3 ALA A 63 -11.371 -19.121 -1.699 1.00 13.03 H new ATOM 965 N HIS A 64 -10.607 -22.689 -0.341 1.00 71.35 N ATOM 966 CA HIS A 64 -10.281 -23.165 0.998 1.00 31.42 C ATOM 967 C HIS A 64 -8.826 -22.864 1.343 1.00 43.13 C ATOM 968 O HIS A 64 -7.924 -23.105 0.539 1.00 35.42 O ATOM 969 CB HIS A 64 -10.542 -24.668 1.106 1.00 72.12 C ATOM 970 CG HIS A 64 -11.841 -25.096 0.496 1.00 55.53 C ATOM 971 ND1 HIS A 64 -12.056 -26.361 -0.008 1.00 71.01 N ATOM 972 CD2 HIS A 64 -12.998 -24.418 0.311 1.00 15.44 C ATOM 973 CE1 HIS A 64 -13.288 -26.443 -0.477 1.00 53.44 C ATOM 974 NE2 HIS A 64 -13.882 -25.277 -0.295 1.00 44.42 N ATOM 0 H HIS A 64 -10.199 -23.241 -1.095 1.00 71.35 H new ATOM 0 HA HIS A 64 -10.920 -22.641 1.708 1.00 31.42 H new ATOM 0 HB2 HIS A 64 -9.728 -25.206 0.620 1.00 72.12 H new ATOM 0 HB3 HIS A 64 -10.532 -24.956 2.157 1.00 72.12 H new ATOM 0 HD1 HIS A 64 -11.370 -27.116 -0.017 1.00 71.01 H new ATOM 0 HD2 HIS A 64 -13.190 -23.392 0.588 1.00 15.44 H new ATOM 0 HE1 HIS A 64 -13.734 -27.315 -0.932 1.00 53.44 H new ATOM 982 N TYR A 65 -8.604 -22.335 2.541 1.00 40.24 N ATOM 983 CA TYR A 65 -7.259 -21.997 2.990 1.00 65.30 C ATOM 984 C TYR A 65 -6.867 -22.827 4.209 1.00 61.33 C ATOM 985 O TYR A 65 -7.671 -23.032 5.118 1.00 24.15 O ATOM 986 CB TYR A 65 -7.168 -20.507 3.323 1.00 33.25 C ATOM 987 CG TYR A 65 -7.685 -20.163 4.702 1.00 13.10 C ATOM 988 CD1 TYR A 65 -9.038 -19.936 4.922 1.00 73.42 C ATOM 989 CD2 TYR A 65 -6.820 -20.065 5.785 1.00 33.22 C ATOM 990 CE1 TYR A 65 -9.515 -19.621 6.179 1.00 4.25 C ATOM 991 CE2 TYR A 65 -7.288 -19.752 7.047 1.00 50.43 C ATOM 992 CZ TYR A 65 -8.636 -19.530 7.239 1.00 42.24 C ATOM 993 OH TYR A 65 -9.107 -19.217 8.493 1.00 24.13 O ATOM 0 H TYR A 65 -9.338 -22.131 3.219 1.00 40.24 H new ATOM 0 HA TYR A 65 -6.566 -22.224 2.180 1.00 65.30 H new ATOM 0 HB2 TYR A 65 -6.129 -20.188 3.244 1.00 33.25 H new ATOM 0 HB3 TYR A 65 -7.732 -19.942 2.581 1.00 33.25 H new ATOM 0 HD1 TYR A 65 -9.729 -20.007 4.095 1.00 73.42 H new ATOM 0 HD2 TYR A 65 -5.764 -20.236 5.638 1.00 33.22 H new ATOM 0 HE1 TYR A 65 -10.570 -19.447 6.332 1.00 4.25 H new ATOM 0 HE2 TYR A 65 -6.602 -19.682 7.878 1.00 50.43 H new ATOM 0 HH TYR A 65 -8.360 -19.194 9.127 1.00 24.13 H new ATOM 1003 N ARG A 66 -5.626 -23.302 4.219 1.00 63.21 N ATOM 1004 CA ARG A 66 -5.126 -24.110 5.325 1.00 60.54 C ATOM 1005 C ARG A 66 -4.834 -23.242 6.545 1.00 40.35 C ATOM 1006 O ARG A 66 -4.455 -22.078 6.414 1.00 62.30 O ATOM 1007 CB ARG A 66 -3.861 -24.861 4.905 1.00 44.43 C ATOM 1008 CG ARG A 66 -2.683 -23.948 4.604 1.00 40.11 C ATOM 1009 CD ARG A 66 -1.398 -24.474 5.223 1.00 63.51 C ATOM 1010 NE ARG A 66 -0.244 -24.261 4.353 1.00 21.23 N ATOM 1011 CZ ARG A 66 -0.003 -24.980 3.262 1.00 12.33 C ATOM 1012 NH1 ARG A 66 -0.832 -25.953 2.909 1.00 42.41 N ATOM 1013 NH2 ARG A 66 1.068 -24.725 2.522 1.00 62.32 N ATOM 0 H ARG A 66 -4.948 -23.141 3.474 1.00 63.21 H new ATOM 0 HA ARG A 66 -5.898 -24.832 5.592 1.00 60.54 H new ATOM 0 HB2 ARG A 66 -3.580 -25.554 5.698 1.00 44.43 H new ATOM 0 HB3 ARG A 66 -4.081 -25.460 4.021 1.00 44.43 H new ATOM 0 HG2 ARG A 66 -2.558 -23.858 3.525 1.00 40.11 H new ATOM 0 HG3 ARG A 66 -2.889 -22.948 4.986 1.00 40.11 H new ATOM 0 HD2 ARG A 66 -1.227 -23.979 6.179 1.00 63.51 H new ATOM 0 HD3 ARG A 66 -1.505 -25.539 5.430 1.00 63.51 H new ATOM 0 HE ARG A 66 0.413 -23.520 4.596 1.00 21.23 H new ATOM 0 HH11 ARG A 66 -1.657 -26.151 3.475 1.00 42.41 H new ATOM 0 HH12 ARG A 66 -0.645 -26.504 2.071 1.00 42.41 H new ATOM 0 HH21 ARG A 66 1.707 -23.977 2.790 1.00 62.32 H new ATOM 0 HH22 ARG A 66 1.253 -25.277 1.685 1.00 62.32 H new ATOM 1027 N ALA A 67 -5.014 -23.815 7.730 1.00 61.42 N ATOM 1028 CA ALA A 67 -4.769 -23.094 8.973 1.00 65.44 C ATOM 1029 C ALA A 67 -3.566 -23.670 9.713 1.00 34.42 C ATOM 1030 O ALA A 67 -2.866 -24.540 9.196 1.00 34.20 O ATOM 1031 CB ALA A 67 -6.005 -23.133 9.858 1.00 20.54 C ATOM 0 H ALA A 67 -5.329 -24.777 7.856 1.00 61.42 H new ATOM 0 HA ALA A 67 -4.547 -22.056 8.725 1.00 65.44 H new ATOM 0 HB1 ALA A 67 -5.808 -22.591 10.783 1.00 20.54 H new ATOM 0 HB2 ALA A 67 -6.841 -22.668 9.336 1.00 20.54 H new ATOM 0 HB3 ALA A 67 -6.253 -24.169 10.091 1.00 20.54 H new ATOM 1037 N GLU A 68 -3.333 -23.179 10.926 1.00 11.41 N ATOM 1038 CA GLU A 68 -2.214 -23.645 11.736 1.00 3.42 C ATOM 1039 C GLU A 68 -2.248 -25.162 11.889 1.00 22.55 C ATOM 1040 O GLU A 68 -1.205 -25.813 11.966 1.00 13.24 O ATOM 1041 CB GLU A 68 -2.242 -22.981 13.115 1.00 61.04 C ATOM 1042 CG GLU A 68 -3.615 -22.989 13.766 1.00 43.31 C ATOM 1043 CD GLU A 68 -3.556 -22.708 15.255 1.00 44.11 C ATOM 1044 OE1 GLU A 68 -2.441 -22.482 15.771 1.00 12.44 O ATOM 1045 OE2 GLU A 68 -4.623 -22.715 15.903 1.00 4.33 O ATOM 0 H GLU A 68 -3.904 -22.459 11.369 1.00 11.41 H new ATOM 0 HA GLU A 68 -1.291 -23.369 11.227 1.00 3.42 H new ATOM 0 HB2 GLU A 68 -1.536 -23.492 13.769 1.00 61.04 H new ATOM 0 HB3 GLU A 68 -1.900 -21.950 13.020 1.00 61.04 H new ATOM 0 HG2 GLU A 68 -4.246 -22.242 13.284 1.00 43.31 H new ATOM 0 HG3 GLU A 68 -4.085 -23.958 13.601 1.00 43.31 H new ATOM 1052 N ARG A 69 -3.453 -25.720 11.934 1.00 55.12 N ATOM 1053 CA ARG A 69 -3.624 -27.160 12.080 1.00 73.42 C ATOM 1054 C ARG A 69 -3.428 -27.869 10.743 1.00 25.40 C ATOM 1055 O ARG A 69 -3.044 -29.038 10.699 1.00 53.41 O ATOM 1056 CB ARG A 69 -5.013 -27.477 12.637 1.00 13.24 C ATOM 1057 CG ARG A 69 -5.175 -27.123 14.107 1.00 62.12 C ATOM 1058 CD ARG A 69 -4.576 -28.193 15.006 1.00 31.13 C ATOM 1059 NE ARG A 69 -3.137 -28.018 15.182 1.00 62.45 N ATOM 1060 CZ ARG A 69 -2.375 -28.852 15.881 1.00 71.31 C ATOM 1061 NH1 ARG A 69 -2.913 -29.913 16.467 1.00 64.11 N ATOM 1062 NH2 ARG A 69 -1.073 -28.626 15.995 1.00 45.14 N ATOM 0 H ARG A 69 -4.326 -25.196 11.871 1.00 55.12 H new ATOM 0 HA ARG A 69 -2.869 -27.521 12.778 1.00 73.42 H new ATOM 0 HB2 ARG A 69 -5.760 -26.935 12.057 1.00 13.24 H new ATOM 0 HB3 ARG A 69 -5.215 -28.540 12.503 1.00 13.24 H new ATOM 0 HG2 ARG A 69 -4.693 -26.166 14.307 1.00 62.12 H new ATOM 0 HG3 ARG A 69 -6.233 -27.002 14.339 1.00 62.12 H new ATOM 0 HD2 ARG A 69 -5.066 -28.165 15.979 1.00 31.13 H new ATOM 0 HD3 ARG A 69 -4.772 -29.177 14.579 1.00 31.13 H new ATOM 0 HE ARG A 69 -2.692 -27.211 14.744 1.00 62.45 H new ATOM 0 HH11 ARG A 69 -3.914 -30.090 16.382 1.00 64.11 H new ATOM 0 HH12 ARG A 69 -2.326 -30.552 17.003 1.00 64.11 H new ATOM 0 HH21 ARG A 69 -0.656 -27.811 15.546 1.00 45.14 H new ATOM 0 HH22 ARG A 69 -0.489 -29.267 16.532 1.00 45.14 H new ATOM 1076 N GLY A 70 -3.693 -27.154 9.654 1.00 14.24 N ATOM 1077 CA GLY A 70 -3.540 -27.731 8.332 1.00 54.14 C ATOM 1078 C GLY A 70 -4.872 -27.989 7.654 1.00 23.33 C ATOM 1079 O GLY A 70 -4.960 -27.995 6.426 1.00 13.14 O ATOM 0 H GLY A 70 -4.011 -26.185 9.664 1.00 14.24 H new ATOM 0 HA2 GLY A 70 -2.945 -27.060 7.713 1.00 54.14 H new ATOM 0 HA3 GLY A 70 -2.988 -28.668 8.409 1.00 54.14 H new ATOM 1083 N ASP A 71 -5.909 -28.205 8.455 1.00 30.35 N ATOM 1084 CA ASP A 71 -7.243 -28.466 7.926 1.00 24.51 C ATOM 1085 C ASP A 71 -7.647 -27.395 6.919 1.00 42.34 C ATOM 1086 O ASP A 71 -7.062 -26.311 6.881 1.00 74.03 O ATOM 1087 CB ASP A 71 -8.263 -28.526 9.064 1.00 54.25 C ATOM 1088 CG ASP A 71 -8.009 -27.474 10.126 1.00 65.44 C ATOM 1089 OD1 ASP A 71 -7.880 -26.285 9.765 1.00 30.42 O ATOM 1090 OD2 ASP A 71 -7.938 -27.840 11.317 1.00 35.43 O ATOM 0 H ASP A 71 -5.852 -28.205 9.473 1.00 30.35 H new ATOM 0 HA ASP A 71 -7.223 -29.429 7.416 1.00 24.51 H new ATOM 0 HB2 ASP A 71 -9.265 -28.392 8.657 1.00 54.25 H new ATOM 0 HB3 ASP A 71 -8.234 -29.515 9.522 1.00 54.25 H new ATOM 1095 N LEU A 72 -8.649 -27.704 6.103 1.00 23.42 N ATOM 1096 CA LEU A 72 -9.131 -26.768 5.094 1.00 60.23 C ATOM 1097 C LEU A 72 -10.290 -25.936 5.633 1.00 43.53 C ATOM 1098 O LEU A 72 -11.234 -26.470 6.214 1.00 11.34 O ATOM 1099 CB LEU A 72 -9.571 -27.523 3.838 1.00 33.34 C ATOM 1100 CG LEU A 72 -8.491 -27.755 2.781 1.00 53.31 C ATOM 1101 CD1 LEU A 72 -9.053 -28.543 1.608 1.00 40.01 C ATOM 1102 CD2 LEU A 72 -7.916 -26.428 2.307 1.00 4.05 C ATOM 0 H LEU A 72 -9.143 -28.596 6.121 1.00 23.42 H new ATOM 0 HA LEU A 72 -8.313 -26.095 4.838 1.00 60.23 H new ATOM 0 HB2 LEU A 72 -9.968 -28.492 4.141 1.00 33.34 H new ATOM 0 HB3 LEU A 72 -10.391 -26.973 3.376 1.00 33.34 H new ATOM 0 HG LEU A 72 -7.687 -28.337 3.232 1.00 53.31 H new ATOM 0 HD11 LEU A 72 -8.270 -28.699 0.866 1.00 40.01 H new ATOM 0 HD12 LEU A 72 -9.417 -29.509 1.959 1.00 40.01 H new ATOM 0 HD13 LEU A 72 -9.875 -27.987 1.157 1.00 40.01 H new ATOM 0 HD21 LEU A 72 -7.149 -26.612 1.555 1.00 4.05 H new ATOM 0 HD22 LEU A 72 -8.711 -25.821 1.874 1.00 4.05 H new ATOM 0 HD23 LEU A 72 -7.476 -25.899 3.153 1.00 4.05 H new ATOM 1114 N VAL A 73 -10.212 -24.624 5.434 1.00 42.54 N ATOM 1115 CA VAL A 73 -11.256 -23.717 5.896 1.00 5.35 C ATOM 1116 C VAL A 73 -11.767 -22.841 4.758 1.00 1.23 C ATOM 1117 O VAL A 73 -11.125 -21.862 4.378 1.00 32.02 O ATOM 1118 CB VAL A 73 -10.749 -22.814 7.037 1.00 52.31 C ATOM 1119 CG1 VAL A 73 -11.891 -21.991 7.614 1.00 51.34 C ATOM 1120 CG2 VAL A 73 -10.082 -23.648 8.120 1.00 11.22 C ATOM 0 H VAL A 73 -9.436 -24.165 4.956 1.00 42.54 H new ATOM 0 HA VAL A 73 -12.072 -24.336 6.267 1.00 5.35 H new ATOM 0 HB VAL A 73 -10.007 -22.127 6.631 1.00 52.31 H new ATOM 0 HG11 VAL A 73 -11.514 -21.359 8.418 1.00 51.34 H new ATOM 0 HG12 VAL A 73 -12.320 -21.365 6.832 1.00 51.34 H new ATOM 0 HG13 VAL A 73 -12.659 -22.658 8.006 1.00 51.34 H new ATOM 0 HG21 VAL A 73 -9.730 -22.994 8.918 1.00 11.22 H new ATOM 0 HG22 VAL A 73 -10.801 -24.360 8.525 1.00 11.22 H new ATOM 0 HG23 VAL A 73 -9.237 -24.188 7.694 1.00 11.22 H new ATOM 1130 N ALA A 74 -12.927 -23.199 4.218 1.00 32.45 N ATOM 1131 CA ALA A 74 -13.527 -22.445 3.125 1.00 3.41 C ATOM 1132 C ALA A 74 -13.801 -21.003 3.539 1.00 50.21 C ATOM 1133 O ALA A 74 -14.734 -20.730 4.295 1.00 70.05 O ATOM 1134 CB ALA A 74 -14.811 -23.116 2.662 1.00 31.31 C ATOM 0 H ALA A 74 -13.470 -24.008 4.520 1.00 32.45 H new ATOM 0 HA ALA A 74 -12.819 -22.430 2.296 1.00 3.41 H new ATOM 0 HB1 ALA A 74 -15.248 -22.541 1.845 1.00 31.31 H new ATOM 0 HB2 ALA A 74 -14.590 -24.126 2.317 1.00 31.31 H new ATOM 0 HB3 ALA A 74 -15.517 -23.162 3.491 1.00 31.31 H new ATOM 1140 N PHE A 75 -12.982 -20.083 3.040 1.00 51.11 N ATOM 1141 CA PHE A 75 -13.136 -18.668 3.359 1.00 23.44 C ATOM 1142 C PHE A 75 -14.010 -17.968 2.323 1.00 63.42 C ATOM 1143 O PHE A 75 -14.057 -18.372 1.161 1.00 73.11 O ATOM 1144 CB PHE A 75 -11.767 -17.989 3.432 1.00 41.52 C ATOM 1145 CG PHE A 75 -11.103 -17.834 2.093 1.00 10.34 C ATOM 1146 CD1 PHE A 75 -10.295 -18.838 1.585 1.00 33.35 C ATOM 1147 CD2 PHE A 75 -11.286 -16.683 1.343 1.00 33.14 C ATOM 1148 CE1 PHE A 75 -9.683 -18.699 0.354 1.00 72.20 C ATOM 1149 CE2 PHE A 75 -10.677 -16.539 0.111 1.00 12.42 C ATOM 1150 CZ PHE A 75 -9.874 -17.547 -0.384 1.00 23.25 C ATOM 0 H PHE A 75 -12.205 -20.292 2.413 1.00 51.11 H new ATOM 0 HA PHE A 75 -13.624 -18.591 4.330 1.00 23.44 H new ATOM 0 HB2 PHE A 75 -11.882 -17.006 3.888 1.00 41.52 H new ATOM 0 HB3 PHE A 75 -11.117 -18.570 4.086 1.00 41.52 H new ATOM 0 HD1 PHE A 75 -10.142 -19.740 2.158 1.00 33.35 H new ATOM 0 HD2 PHE A 75 -11.911 -15.890 1.726 1.00 33.14 H new ATOM 0 HE1 PHE A 75 -9.056 -19.490 -0.031 1.00 72.20 H new ATOM 0 HE2 PHE A 75 -10.829 -15.638 -0.465 1.00 12.42 H new ATOM 0 HZ PHE A 75 -9.396 -17.435 -1.346 1.00 23.25 H new ATOM 1160 N SER A 76 -14.700 -16.917 2.753 1.00 72.14 N ATOM 1161 CA SER A 76 -15.576 -16.163 1.864 1.00 53.21 C ATOM 1162 C SER A 76 -15.966 -14.828 2.490 1.00 14.45 C ATOM 1163 O SER A 76 -17.066 -14.321 2.266 1.00 63.35 O ATOM 1164 CB SER A 76 -16.833 -16.974 1.542 1.00 24.52 C ATOM 1165 OG SER A 76 -17.573 -17.256 2.717 1.00 23.14 O ATOM 0 H SER A 76 -14.670 -16.568 3.711 1.00 72.14 H new ATOM 0 HA SER A 76 -15.032 -15.967 0.940 1.00 53.21 H new ATOM 0 HB2 SER A 76 -17.457 -16.421 0.840 1.00 24.52 H new ATOM 0 HB3 SER A 76 -16.552 -17.907 1.053 1.00 24.52 H new ATOM 0 HG SER A 76 -18.372 -17.773 2.484 1.00 23.14 H new ATOM 1171 N SER A 77 -15.057 -14.262 3.278 1.00 20.51 N ATOM 1172 CA SER A 77 -15.306 -12.988 3.941 1.00 0.21 C ATOM 1173 C SER A 77 -13.994 -12.297 4.300 1.00 0.30 C ATOM 1174 O SER A 77 -12.998 -12.952 4.606 1.00 21.24 O ATOM 1175 CB SER A 77 -16.145 -13.200 5.202 1.00 33.45 C ATOM 1176 OG SER A 77 -16.915 -12.049 5.503 1.00 2.00 O ATOM 0 H SER A 77 -14.141 -14.666 3.473 1.00 20.51 H new ATOM 0 HA SER A 77 -15.856 -12.349 3.250 1.00 0.21 H new ATOM 0 HB2 SER A 77 -16.805 -14.057 5.064 1.00 33.45 H new ATOM 0 HB3 SER A 77 -15.491 -13.434 6.042 1.00 33.45 H new ATOM 0 HG SER A 77 -17.443 -12.211 6.312 1.00 2.00 H new ATOM 1182 N ASP A 78 -14.002 -10.969 4.260 1.00 41.05 N ATOM 1183 CA ASP A 78 -12.814 -10.187 4.581 1.00 24.22 C ATOM 1184 C ASP A 78 -12.245 -10.596 5.936 1.00 5.03 C ATOM 1185 O ASP A 78 -11.029 -10.681 6.109 1.00 72.10 O ATOM 1186 CB ASP A 78 -13.144 -8.694 4.583 1.00 55.14 C ATOM 1187 CG ASP A 78 -14.112 -8.316 5.687 1.00 22.32 C ATOM 1188 OD1 ASP A 78 -15.261 -8.806 5.664 1.00 64.05 O ATOM 1189 OD2 ASP A 78 -13.720 -7.532 6.576 1.00 42.31 O ATOM 0 H ASP A 78 -14.818 -10.412 4.008 1.00 41.05 H new ATOM 0 HA ASP A 78 -12.063 -10.384 3.816 1.00 24.22 H new ATOM 0 HB2 ASP A 78 -12.224 -8.122 4.699 1.00 55.14 H new ATOM 0 HB3 ASP A 78 -13.571 -8.418 3.619 1.00 55.14 H new ATOM 1194 N GLU A 79 -13.132 -10.846 6.894 1.00 61.50 N ATOM 1195 CA GLU A 79 -12.717 -11.244 8.234 1.00 63.30 C ATOM 1196 C GLU A 79 -11.897 -12.531 8.190 1.00 3.41 C ATOM 1197 O GLU A 79 -11.035 -12.758 9.038 1.00 2.14 O ATOM 1198 CB GLU A 79 -13.939 -11.436 9.135 1.00 44.12 C ATOM 1199 CG GLU A 79 -14.986 -12.368 8.549 1.00 13.42 C ATOM 1200 CD GLU A 79 -15.768 -13.111 9.615 1.00 4.45 C ATOM 1201 OE1 GLU A 79 -15.571 -12.812 10.812 1.00 70.31 O ATOM 1202 OE2 GLU A 79 -16.576 -13.991 9.253 1.00 52.45 O ATOM 0 H GLU A 79 -14.142 -10.780 6.767 1.00 61.50 H new ATOM 0 HA GLU A 79 -12.093 -10.450 8.644 1.00 63.30 H new ATOM 0 HB2 GLU A 79 -13.612 -11.830 10.097 1.00 44.12 H new ATOM 0 HB3 GLU A 79 -14.395 -10.465 9.326 1.00 44.12 H new ATOM 0 HG2 GLU A 79 -15.676 -11.792 7.933 1.00 13.42 H new ATOM 0 HG3 GLU A 79 -14.499 -13.089 7.892 1.00 13.42 H new ATOM 1209 N GLU A 80 -12.173 -13.368 7.195 1.00 32.14 N ATOM 1210 CA GLU A 80 -11.462 -14.632 7.042 1.00 53.10 C ATOM 1211 C GLU A 80 -10.107 -14.416 6.375 1.00 70.35 C ATOM 1212 O GLU A 80 -9.164 -15.177 6.598 1.00 52.13 O ATOM 1213 CB GLU A 80 -12.297 -15.616 6.220 1.00 53.33 C ATOM 1214 CG GLU A 80 -13.266 -16.437 7.054 1.00 52.04 C ATOM 1215 CD GLU A 80 -14.260 -15.576 7.809 1.00 74.52 C ATOM 1216 OE1 GLU A 80 -13.931 -15.135 8.930 1.00 60.50 O ATOM 1217 OE2 GLU A 80 -15.367 -15.344 7.280 1.00 72.24 O ATOM 0 H GLU A 80 -12.883 -13.194 6.484 1.00 32.14 H new ATOM 0 HA GLU A 80 -11.296 -15.049 8.035 1.00 53.10 H new ATOM 0 HB2 GLU A 80 -12.858 -15.063 5.467 1.00 53.33 H new ATOM 0 HB3 GLU A 80 -11.627 -16.291 5.687 1.00 53.33 H new ATOM 0 HG2 GLU A 80 -13.807 -17.125 6.404 1.00 52.04 H new ATOM 0 HG3 GLU A 80 -12.704 -17.044 7.764 1.00 52.04 H new ATOM 1224 N LEU A 81 -10.017 -13.375 5.554 1.00 33.23 N ATOM 1225 CA LEU A 81 -8.778 -13.058 4.853 1.00 70.41 C ATOM 1226 C LEU A 81 -7.726 -12.526 5.820 1.00 2.51 C ATOM 1227 O LEU A 81 -6.595 -13.013 5.856 1.00 53.34 O ATOM 1228 CB LEU A 81 -9.041 -12.031 3.751 1.00 51.23 C ATOM 1229 CG LEU A 81 -9.510 -12.592 2.408 1.00 63.13 C ATOM 1230 CD1 LEU A 81 -8.485 -13.568 1.850 1.00 10.22 C ATOM 1231 CD2 LEU A 81 -10.866 -13.267 2.556 1.00 42.45 C ATOM 0 H LEU A 81 -10.788 -12.736 5.358 1.00 33.23 H new ATOM 0 HA LEU A 81 -8.399 -13.976 4.403 1.00 70.41 H new ATOM 0 HB2 LEU A 81 -9.792 -11.327 4.110 1.00 51.23 H new ATOM 0 HB3 LEU A 81 -8.125 -11.463 3.585 1.00 51.23 H new ATOM 0 HG LEU A 81 -9.613 -11.764 1.706 1.00 63.13 H new ATOM 0 HD11 LEU A 81 -8.836 -13.957 0.894 1.00 10.22 H new ATOM 0 HD12 LEU A 81 -7.534 -13.054 1.706 1.00 10.22 H new ATOM 0 HD13 LEU A 81 -8.349 -14.393 2.550 1.00 10.22 H new ATOM 0 HD21 LEU A 81 -11.184 -13.660 1.590 1.00 42.45 H new ATOM 0 HD22 LEU A 81 -10.789 -14.084 3.273 1.00 42.45 H new ATOM 0 HD23 LEU A 81 -11.597 -12.541 2.911 1.00 42.45 H new ATOM 1243 N THR A 82 -8.105 -11.523 6.606 1.00 55.40 N ATOM 1244 CA THR A 82 -7.196 -10.924 7.575 1.00 62.14 C ATOM 1245 C THR A 82 -6.557 -11.988 8.459 1.00 23.32 C ATOM 1246 O THR A 82 -5.438 -11.817 8.942 1.00 23.21 O ATOM 1247 CB THR A 82 -7.921 -9.899 8.467 1.00 45.42 C ATOM 1248 OG1 THR A 82 -6.965 -9.059 9.123 1.00 3.53 O ATOM 1249 CG2 THR A 82 -8.785 -10.599 9.504 1.00 23.23 C ATOM 0 H THR A 82 -9.037 -11.108 6.590 1.00 55.40 H new ATOM 0 HA THR A 82 -6.419 -10.413 7.006 1.00 62.14 H new ATOM 0 HB THR A 82 -8.565 -9.290 7.833 1.00 45.42 H new ATOM 0 HG1 THR A 82 -7.433 -8.409 9.687 1.00 3.53 H new ATOM 0 HG21 THR A 82 -9.287 -9.854 10.122 1.00 23.23 H new ATOM 0 HG22 THR A 82 -9.530 -11.215 9.001 1.00 23.23 H new ATOM 0 HG23 THR A 82 -8.158 -11.230 10.134 1.00 23.23 H new ATOM 1257 N MET A 83 -7.274 -13.087 8.667 1.00 32.51 N ATOM 1258 CA MET A 83 -6.775 -14.181 9.493 1.00 41.21 C ATOM 1259 C MET A 83 -5.860 -15.097 8.687 1.00 61.05 C ATOM 1260 O MET A 83 -4.813 -15.526 9.171 1.00 61.05 O ATOM 1261 CB MET A 83 -7.941 -14.985 10.071 1.00 62.42 C ATOM 1262 CG MET A 83 -7.656 -15.565 11.447 1.00 61.22 C ATOM 1263 SD MET A 83 -8.378 -14.585 12.777 1.00 74.23 S ATOM 1264 CE MET A 83 -7.328 -13.135 12.737 1.00 11.25 C ATOM 0 H MET A 83 -8.203 -13.244 8.275 1.00 32.51 H new ATOM 0 HA MET A 83 -6.199 -13.751 10.312 1.00 41.21 H new ATOM 0 HB2 MET A 83 -8.820 -14.343 10.131 1.00 62.42 H new ATOM 0 HB3 MET A 83 -8.186 -15.797 9.387 1.00 62.42 H new ATOM 0 HG2 MET A 83 -8.047 -16.581 11.497 1.00 61.22 H new ATOM 0 HG3 MET A 83 -6.578 -15.630 11.593 1.00 61.22 H new ATOM 0 HE1 MET A 83 -7.543 -12.506 13.601 1.00 11.25 H new ATOM 0 HE2 MET A 83 -6.282 -13.442 12.763 1.00 11.25 H new ATOM 0 HE3 MET A 83 -7.518 -12.573 11.823 1.00 11.25 H new ATOM 1274 N ALA A 84 -6.262 -15.393 7.455 1.00 53.10 N ATOM 1275 CA ALA A 84 -5.477 -16.257 6.582 1.00 55.33 C ATOM 1276 C ALA A 84 -4.095 -15.667 6.325 1.00 22.10 C ATOM 1277 O ALA A 84 -3.091 -16.379 6.354 1.00 13.23 O ATOM 1278 CB ALA A 84 -6.209 -16.483 5.267 1.00 32.00 C ATOM 0 H ALA A 84 -7.127 -15.047 7.039 1.00 53.10 H new ATOM 0 HA ALA A 84 -5.347 -17.216 7.083 1.00 55.33 H new ATOM 0 HB1 ALA A 84 -5.612 -17.130 4.625 1.00 32.00 H new ATOM 0 HB2 ALA A 84 -7.172 -16.955 5.463 1.00 32.00 H new ATOM 0 HB3 ALA A 84 -6.369 -15.526 4.770 1.00 32.00 H new ATOM 1284 N MET A 85 -4.050 -14.363 6.073 1.00 71.01 N ATOM 1285 CA MET A 85 -2.789 -13.678 5.811 1.00 33.34 C ATOM 1286 C MET A 85 -1.857 -13.779 7.014 1.00 4.32 C ATOM 1287 O MET A 85 -0.640 -13.652 6.880 1.00 4.10 O ATOM 1288 CB MET A 85 -3.044 -12.209 5.470 1.00 44.03 C ATOM 1289 CG MET A 85 -3.901 -12.013 4.230 1.00 41.02 C ATOM 1290 SD MET A 85 -3.692 -10.381 3.492 1.00 70.22 S ATOM 1291 CE MET A 85 -3.122 -10.822 1.852 1.00 41.30 C ATOM 0 H MET A 85 -4.872 -13.759 6.045 1.00 71.01 H new ATOM 0 HA MET A 85 -2.310 -14.163 4.960 1.00 33.34 H new ATOM 0 HB2 MET A 85 -3.531 -11.727 6.318 1.00 44.03 H new ATOM 0 HB3 MET A 85 -2.088 -11.707 5.324 1.00 44.03 H new ATOM 0 HG2 MET A 85 -3.647 -12.776 3.494 1.00 41.02 H new ATOM 0 HG3 MET A 85 -4.949 -12.158 4.491 1.00 41.02 H new ATOM 0 HE1 MET A 85 -2.948 -9.916 1.272 1.00 41.30 H new ATOM 0 HE2 MET A 85 -2.193 -11.388 1.929 1.00 41.30 H new ATOM 0 HE3 MET A 85 -3.878 -11.431 1.356 1.00 41.30 H new ATOM 1301 N SER A 86 -2.435 -14.007 8.189 1.00 53.31 N ATOM 1302 CA SER A 86 -1.656 -14.120 9.416 1.00 4.20 C ATOM 1303 C SER A 86 -0.795 -15.380 9.399 1.00 52.43 C ATOM 1304 O SER A 86 0.247 -15.442 10.051 1.00 45.33 O ATOM 1305 CB SER A 86 -2.581 -14.138 10.634 1.00 55.42 C ATOM 1306 OG SER A 86 -1.862 -13.871 11.825 1.00 12.32 O ATOM 0 H SER A 86 -3.441 -14.117 8.317 1.00 53.31 H new ATOM 0 HA SER A 86 -0.999 -13.252 9.481 1.00 4.20 H new ATOM 0 HB2 SER A 86 -3.369 -13.395 10.507 1.00 55.42 H new ATOM 0 HB3 SER A 86 -3.068 -15.110 10.710 1.00 55.42 H new ATOM 0 HG SER A 86 -2.476 -13.887 12.588 1.00 12.32 H new ATOM 1312 N TYR A 87 -1.240 -16.381 8.648 1.00 23.44 N ATOM 1313 CA TYR A 87 -0.513 -17.641 8.547 1.00 22.41 C ATOM 1314 C TYR A 87 0.541 -17.575 7.446 1.00 24.23 C ATOM 1315 O TYR A 87 1.488 -18.362 7.429 1.00 43.20 O ATOM 1316 CB TYR A 87 -1.482 -18.793 8.272 1.00 3.42 C ATOM 1317 CG TYR A 87 -2.550 -18.951 9.330 1.00 11.34 C ATOM 1318 CD1 TYR A 87 -3.724 -18.210 9.277 1.00 50.52 C ATOM 1319 CD2 TYR A 87 -2.386 -19.842 10.383 1.00 22.24 C ATOM 1320 CE1 TYR A 87 -4.702 -18.350 10.242 1.00 73.21 C ATOM 1321 CE2 TYR A 87 -3.359 -19.991 11.352 1.00 14.43 C ATOM 1322 CZ TYR A 87 -4.516 -19.242 11.277 1.00 25.14 C ATOM 1323 OH TYR A 87 -5.488 -19.386 12.240 1.00 73.30 O ATOM 0 H TYR A 87 -2.100 -16.345 8.101 1.00 23.44 H new ATOM 0 HA TYR A 87 -0.009 -17.818 9.497 1.00 22.41 H new ATOM 0 HB2 TYR A 87 -1.960 -18.632 7.306 1.00 3.42 H new ATOM 0 HB3 TYR A 87 -0.917 -19.722 8.197 1.00 3.42 H new ATOM 0 HD1 TYR A 87 -3.875 -17.512 8.467 1.00 50.52 H new ATOM 0 HD2 TYR A 87 -1.481 -20.429 10.445 1.00 22.24 H new ATOM 0 HE1 TYR A 87 -5.608 -17.764 10.186 1.00 73.21 H new ATOM 0 HE2 TYR A 87 -3.215 -20.689 12.163 1.00 14.43 H new ATOM 0 HH TYR A 87 -5.201 -20.055 12.897 1.00 73.30 H new ATOM 1333 N VAL A 88 0.370 -16.629 6.528 1.00 21.40 N ATOM 1334 CA VAL A 88 1.307 -16.457 5.424 1.00 75.52 C ATOM 1335 C VAL A 88 2.616 -15.843 5.905 1.00 64.34 C ATOM 1336 O VAL A 88 2.841 -14.641 5.762 1.00 60.21 O ATOM 1337 CB VAL A 88 0.711 -15.568 4.316 1.00 1.24 C ATOM 1338 CG1 VAL A 88 1.614 -15.563 3.092 1.00 12.21 C ATOM 1339 CG2 VAL A 88 -0.690 -16.035 3.954 1.00 73.32 C ATOM 0 H VAL A 88 -0.409 -15.970 6.527 1.00 21.40 H new ATOM 0 HA VAL A 88 1.503 -17.449 5.017 1.00 75.52 H new ATOM 0 HB VAL A 88 0.642 -14.547 4.691 1.00 1.24 H new ATOM 0 HG11 VAL A 88 1.177 -14.930 2.320 1.00 12.21 H new ATOM 0 HG12 VAL A 88 2.596 -15.176 3.366 1.00 12.21 H new ATOM 0 HG13 VAL A 88 1.718 -16.579 2.712 1.00 12.21 H new ATOM 0 HG21 VAL A 88 -1.095 -15.396 3.170 1.00 73.32 H new ATOM 0 HG22 VAL A 88 -0.650 -17.064 3.598 1.00 73.32 H new ATOM 0 HG23 VAL A 88 -1.331 -15.980 4.834 1.00 73.32 H new ATOM 1349 N LYS A 89 3.480 -16.677 6.475 1.00 12.31 N ATOM 1350 CA LYS A 89 4.770 -16.218 6.976 1.00 12.34 C ATOM 1351 C LYS A 89 5.607 -15.616 5.853 1.00 64.05 C ATOM 1352 O LYS A 89 6.499 -14.803 6.097 1.00 21.11 O ATOM 1353 CB LYS A 89 5.528 -17.376 7.628 1.00 24.10 C ATOM 1354 CG LYS A 89 5.256 -17.521 9.115 1.00 22.23 C ATOM 1355 CD LYS A 89 5.734 -16.305 9.891 1.00 63.21 C ATOM 1356 CE LYS A 89 6.027 -16.650 11.343 1.00 23.10 C ATOM 1357 NZ LYS A 89 7.154 -17.616 11.467 1.00 32.12 N ATOM 0 H LYS A 89 3.310 -17.675 6.601 1.00 12.31 H new ATOM 0 HA LYS A 89 4.588 -15.445 7.723 1.00 12.34 H new ATOM 0 HB2 LYS A 89 5.258 -18.305 7.126 1.00 24.10 H new ATOM 0 HB3 LYS A 89 6.597 -17.231 7.475 1.00 24.10 H new ATOM 0 HG2 LYS A 89 4.187 -17.661 9.278 1.00 22.23 H new ATOM 0 HG3 LYS A 89 5.756 -18.414 9.492 1.00 22.23 H new ATOM 0 HD2 LYS A 89 6.633 -15.904 9.423 1.00 63.21 H new ATOM 0 HD3 LYS A 89 4.976 -15.523 9.848 1.00 63.21 H new ATOM 0 HE2 LYS A 89 6.267 -15.739 11.891 1.00 23.10 H new ATOM 0 HE3 LYS A 89 5.134 -17.073 11.803 1.00 23.10 H new ATOM 0 HZ1 LYS A 89 7.621 -17.489 12.388 1.00 32.12 H new ATOM 0 HZ2 LYS A 89 6.788 -18.587 11.396 1.00 32.12 H new ATOM 0 HZ3 LYS A 89 7.841 -17.448 10.704 1.00 32.12 H new ATOM 1371 N ASP A 90 5.314 -16.019 4.621 1.00 30.23 N ATOM 1372 CA ASP A 90 6.039 -15.518 3.459 1.00 15.44 C ATOM 1373 C ASP A 90 5.219 -14.464 2.721 1.00 11.11 C ATOM 1374 O ASP A 90 4.192 -14.002 3.218 1.00 54.20 O ATOM 1375 CB ASP A 90 6.385 -16.668 2.512 1.00 4.55 C ATOM 1376 CG ASP A 90 7.039 -17.832 3.231 1.00 53.13 C ATOM 1377 OD1 ASP A 90 8.077 -17.616 3.890 1.00 43.40 O ATOM 1378 OD2 ASP A 90 6.511 -18.959 3.134 1.00 31.43 O ATOM 0 H ASP A 90 4.579 -16.691 4.401 1.00 30.23 H new ATOM 0 HA ASP A 90 6.962 -15.056 3.809 1.00 15.44 H new ATOM 0 HB2 ASP A 90 5.477 -17.014 2.018 1.00 4.55 H new ATOM 0 HB3 ASP A 90 7.054 -16.304 1.732 1.00 4.55 H new ATOM 1383 N ASP A 91 5.680 -14.088 1.534 1.00 64.05 N ATOM 1384 CA ASP A 91 4.990 -13.089 0.726 1.00 3.43 C ATOM 1385 C ASP A 91 4.070 -13.754 -0.293 1.00 3.04 C ATOM 1386 O ASP A 91 3.388 -13.077 -1.062 1.00 40.03 O ATOM 1387 CB ASP A 91 6.002 -12.193 0.010 1.00 63.10 C ATOM 1388 CG ASP A 91 7.116 -12.987 -0.645 1.00 54.43 C ATOM 1389 OD1 ASP A 91 6.891 -13.520 -1.752 1.00 24.24 O ATOM 1390 OD2 ASP A 91 8.211 -13.075 -0.051 1.00 52.34 O ATOM 0 H ASP A 91 6.529 -14.460 1.109 1.00 64.05 H new ATOM 0 HA ASP A 91 4.382 -12.477 1.392 1.00 3.43 H new ATOM 0 HB2 ASP A 91 5.487 -11.601 -0.747 1.00 63.10 H new ATOM 0 HB3 ASP A 91 6.432 -11.491 0.725 1.00 63.10 H new ATOM 1395 N ILE A 92 4.058 -15.083 -0.292 1.00 41.41 N ATOM 1396 CA ILE A 92 3.222 -15.839 -1.216 1.00 42.33 C ATOM 1397 C ILE A 92 1.988 -16.393 -0.513 1.00 55.34 C ATOM 1398 O ILE A 92 2.095 -17.088 0.497 1.00 73.43 O ATOM 1399 CB ILE A 92 4.001 -17.003 -1.856 1.00 30.43 C ATOM 1400 CG1 ILE A 92 5.234 -16.477 -2.592 1.00 65.34 C ATOM 1401 CG2 ILE A 92 3.103 -17.783 -2.805 1.00 21.24 C ATOM 1402 CD1 ILE A 92 6.138 -17.572 -3.116 1.00 40.31 C ATOM 0 H ILE A 92 4.617 -15.658 0.338 1.00 41.41 H new ATOM 0 HA ILE A 92 2.911 -15.147 -1.999 1.00 42.33 H new ATOM 0 HB ILE A 92 4.333 -17.676 -1.066 1.00 30.43 H new ATOM 0 HG12 ILE A 92 4.911 -15.854 -3.426 1.00 65.34 H new ATOM 0 HG13 ILE A 92 5.804 -15.838 -1.918 1.00 65.34 H new ATOM 0 HG21 ILE A 92 3.668 -18.602 -3.249 1.00 21.24 H new ATOM 0 HG22 ILE A 92 2.253 -18.185 -2.254 1.00 21.24 H new ATOM 0 HG23 ILE A 92 2.744 -17.121 -3.593 1.00 21.24 H new ATOM 0 HD11 ILE A 92 6.992 -17.126 -3.626 1.00 40.31 H new ATOM 0 HD12 ILE A 92 6.491 -18.182 -2.284 1.00 40.31 H new ATOM 0 HD13 ILE A 92 5.584 -18.198 -3.815 1.00 40.31 H new ATOM 1414 N PHE A 93 0.815 -16.081 -1.056 1.00 10.14 N ATOM 1415 CA PHE A 93 -0.441 -16.548 -0.481 1.00 73.12 C ATOM 1416 C PHE A 93 -1.019 -17.698 -1.300 1.00 74.34 C ATOM 1417 O PHE A 93 -1.500 -17.500 -2.416 1.00 40.43 O ATOM 1418 CB PHE A 93 -1.451 -15.401 -0.408 1.00 52.04 C ATOM 1419 CG PHE A 93 -2.762 -15.795 0.210 1.00 51.30 C ATOM 1420 CD1 PHE A 93 -2.797 -16.573 1.356 1.00 42.31 C ATOM 1421 CD2 PHE A 93 -3.960 -15.387 -0.355 1.00 61.31 C ATOM 1422 CE1 PHE A 93 -4.001 -16.937 1.928 1.00 55.42 C ATOM 1423 CE2 PHE A 93 -5.167 -15.748 0.212 1.00 14.44 C ATOM 1424 CZ PHE A 93 -5.188 -16.524 1.354 1.00 33.25 C ATOM 0 H PHE A 93 0.709 -15.507 -1.893 1.00 10.14 H new ATOM 0 HA PHE A 93 -0.238 -16.909 0.527 1.00 73.12 H new ATOM 0 HB2 PHE A 93 -1.018 -14.583 0.168 1.00 52.04 H new ATOM 0 HB3 PHE A 93 -1.632 -15.022 -1.414 1.00 52.04 H new ATOM 0 HD1 PHE A 93 -1.872 -16.899 1.808 1.00 42.31 H new ATOM 0 HD2 PHE A 93 -3.950 -14.780 -1.248 1.00 61.31 H new ATOM 0 HE1 PHE A 93 -4.014 -17.543 2.822 1.00 55.42 H new ATOM 0 HE2 PHE A 93 -6.094 -15.423 -0.238 1.00 14.44 H new ATOM 0 HZ PHE A 93 -6.131 -16.808 1.798 1.00 33.25 H new ATOM 1434 N ARG A 94 -0.968 -18.901 -0.738 1.00 72.52 N ATOM 1435 CA ARG A 94 -1.485 -20.084 -1.416 1.00 63.33 C ATOM 1436 C ARG A 94 -2.902 -20.403 -0.949 1.00 61.34 C ATOM 1437 O ARG A 94 -3.255 -20.161 0.205 1.00 3.12 O ATOM 1438 CB ARG A 94 -0.570 -21.284 -1.162 1.00 72.01 C ATOM 1439 CG ARG A 94 0.901 -20.991 -1.407 1.00 70.33 C ATOM 1440 CD ARG A 94 1.737 -22.261 -1.360 1.00 0.43 C ATOM 1441 NE ARG A 94 3.010 -22.104 -2.058 1.00 71.14 N ATOM 1442 CZ ARG A 94 3.883 -23.091 -2.225 1.00 71.42 C ATOM 1443 NH1 ARG A 94 3.622 -24.300 -1.746 1.00 55.24 N ATOM 1444 NH2 ARG A 94 5.020 -22.871 -2.873 1.00 10.25 N ATOM 0 H ARG A 94 -0.574 -19.082 0.185 1.00 72.52 H new ATOM 0 HA ARG A 94 -1.512 -19.876 -2.486 1.00 63.33 H new ATOM 0 HB2 ARG A 94 -0.699 -21.617 -0.132 1.00 72.01 H new ATOM 0 HB3 ARG A 94 -0.879 -22.108 -1.804 1.00 72.01 H new ATOM 0 HG2 ARG A 94 1.021 -20.511 -2.378 1.00 70.33 H new ATOM 0 HG3 ARG A 94 1.263 -20.288 -0.657 1.00 70.33 H new ATOM 0 HD2 ARG A 94 1.924 -22.534 -0.321 1.00 0.43 H new ATOM 0 HD3 ARG A 94 1.176 -23.081 -1.809 1.00 0.43 H new ATOM 0 HE ARG A 94 3.241 -21.186 -2.438 1.00 71.14 H new ATOM 0 HH11 ARG A 94 2.749 -24.474 -1.248 1.00 55.24 H new ATOM 0 HH12 ARG A 94 4.294 -25.056 -1.876 1.00 55.24 H new ATOM 0 HH21 ARG A 94 5.224 -21.943 -3.244 1.00 10.25 H new ATOM 0 HH22 ARG A 94 5.689 -23.630 -3.000 1.00 10.25 H new ATOM 1458 N ILE A 95 -3.709 -20.947 -1.854 1.00 61.21 N ATOM 1459 CA ILE A 95 -5.087 -21.300 -1.534 1.00 43.54 C ATOM 1460 C ILE A 95 -5.571 -22.461 -2.395 1.00 61.33 C ATOM 1461 O ILE A 95 -5.063 -22.687 -3.494 1.00 72.21 O ATOM 1462 CB ILE A 95 -6.034 -20.101 -1.729 1.00 70.04 C ATOM 1463 CG1 ILE A 95 -5.795 -19.451 -3.094 1.00 11.13 C ATOM 1464 CG2 ILE A 95 -5.842 -19.087 -0.612 1.00 44.51 C ATOM 1465 CD1 ILE A 95 -6.699 -18.269 -3.366 1.00 42.14 C ATOM 0 H ILE A 95 -3.433 -21.153 -2.814 1.00 61.21 H new ATOM 0 HA ILE A 95 -5.102 -21.598 -0.486 1.00 43.54 H new ATOM 0 HB ILE A 95 -7.063 -20.460 -1.694 1.00 70.04 H new ATOM 0 HG12 ILE A 95 -4.756 -19.126 -3.156 1.00 11.13 H new ATOM 0 HG13 ILE A 95 -5.942 -20.198 -3.874 1.00 11.13 H new ATOM 0 HG21 ILE A 95 -6.518 -18.246 -0.764 1.00 44.51 H new ATOM 0 HG22 ILE A 95 -6.058 -19.557 0.347 1.00 44.51 H new ATOM 0 HG23 ILE A 95 -4.812 -18.730 -0.618 1.00 44.51 H new ATOM 0 HD11 ILE A 95 -6.474 -17.858 -4.350 1.00 42.14 H new ATOM 0 HD12 ILE A 95 -7.740 -18.592 -3.337 1.00 42.14 H new ATOM 0 HD13 ILE A 95 -6.535 -17.504 -2.607 1.00 42.14 H new ATOM 1477 N TYR A 96 -6.557 -23.194 -1.890 1.00 23.12 N ATOM 1478 CA TYR A 96 -7.110 -24.333 -2.612 1.00 61.51 C ATOM 1479 C TYR A 96 -8.436 -23.968 -3.272 1.00 33.42 C ATOM 1480 O TYR A 96 -9.449 -23.787 -2.596 1.00 33.54 O ATOM 1481 CB TYR A 96 -7.308 -25.518 -1.664 1.00 41.43 C ATOM 1482 CG TYR A 96 -6.013 -26.148 -1.204 1.00 62.13 C ATOM 1483 CD1 TYR A 96 -5.154 -25.471 -0.348 1.00 5.41 C ATOM 1484 CD2 TYR A 96 -5.648 -27.420 -1.627 1.00 20.43 C ATOM 1485 CE1 TYR A 96 -3.969 -26.042 0.075 1.00 61.35 C ATOM 1486 CE2 TYR A 96 -4.466 -28.000 -1.208 1.00 72.42 C ATOM 1487 CZ TYR A 96 -3.630 -27.307 -0.358 1.00 21.41 C ATOM 1488 OH TYR A 96 -2.451 -27.881 0.060 1.00 31.11 O ATOM 0 H TYR A 96 -6.990 -23.019 -0.983 1.00 23.12 H new ATOM 0 HA TYR A 96 -6.402 -24.615 -3.392 1.00 61.51 H new ATOM 0 HB2 TYR A 96 -7.870 -25.185 -0.792 1.00 41.43 H new ATOM 0 HB3 TYR A 96 -7.913 -26.275 -2.163 1.00 41.43 H new ATOM 0 HD1 TYR A 96 -5.417 -24.481 -0.007 1.00 5.41 H new ATOM 0 HD2 TYR A 96 -6.299 -27.965 -2.295 1.00 20.43 H new ATOM 0 HE1 TYR A 96 -3.312 -25.501 0.740 1.00 61.35 H new ATOM 0 HE2 TYR A 96 -4.198 -28.991 -1.544 1.00 72.42 H new ATOM 0 HH TYR A 96 -2.364 -28.774 -0.335 1.00 31.11 H new ATOM 1498 N ILE A 97 -8.421 -23.863 -4.596 1.00 53.32 N ATOM 1499 CA ILE A 97 -9.622 -23.521 -5.348 1.00 73.34 C ATOM 1500 C ILE A 97 -10.409 -24.772 -5.726 1.00 23.01 C ATOM 1501 O ILE A 97 -9.840 -25.759 -6.195 1.00 14.44 O ATOM 1502 CB ILE A 97 -9.280 -22.737 -6.629 1.00 75.42 C ATOM 1503 CG1 ILE A 97 -8.293 -21.611 -6.316 1.00 33.11 C ATOM 1504 CG2 ILE A 97 -10.546 -22.179 -7.262 1.00 53.20 C ATOM 1505 CD1 ILE A 97 -8.792 -20.645 -5.264 1.00 34.51 C ATOM 0 H ILE A 97 -7.591 -24.010 -5.170 1.00 53.32 H new ATOM 0 HA ILE A 97 -10.232 -22.893 -4.699 1.00 73.34 H new ATOM 0 HB ILE A 97 -8.811 -23.418 -7.340 1.00 75.42 H new ATOM 0 HG12 ILE A 97 -7.352 -22.047 -5.980 1.00 33.11 H new ATOM 0 HG13 ILE A 97 -8.081 -21.060 -7.232 1.00 33.11 H new ATOM 0 HG21 ILE A 97 -10.288 -21.628 -8.166 1.00 53.20 H new ATOM 0 HG22 ILE A 97 -11.218 -22.999 -7.516 1.00 53.20 H new ATOM 0 HG23 ILE A 97 -11.041 -21.510 -6.558 1.00 53.20 H new ATOM 0 HD11 ILE A 97 -8.041 -19.874 -5.093 1.00 34.51 H new ATOM 0 HD12 ILE A 97 -9.717 -20.181 -5.606 1.00 34.51 H new ATOM 0 HD13 ILE A 97 -8.977 -21.183 -4.334 1.00 34.51 H new ATOM 1517 N LYS A 98 -11.720 -24.724 -5.520 1.00 55.01 N ATOM 1518 CA LYS A 98 -12.588 -25.851 -5.841 1.00 64.33 C ATOM 1519 C LYS A 98 -13.934 -25.368 -6.370 1.00 75.40 C ATOM 1520 O LYS A 98 -14.595 -24.539 -5.745 1.00 44.25 O ATOM 1521 CB LYS A 98 -12.798 -26.728 -4.605 1.00 22.03 C ATOM 1522 CG LYS A 98 -11.877 -27.935 -4.551 1.00 74.14 C ATOM 1523 CD LYS A 98 -12.390 -28.984 -3.579 1.00 62.52 C ATOM 1524 CE LYS A 98 -11.818 -30.359 -3.890 1.00 64.02 C ATOM 1525 NZ LYS A 98 -12.754 -31.450 -3.502 1.00 61.25 N ATOM 0 H LYS A 98 -12.206 -23.916 -5.132 1.00 55.01 H new ATOM 0 HA LYS A 98 -12.103 -26.441 -6.619 1.00 64.33 H new ATOM 0 HB2 LYS A 98 -12.644 -26.124 -3.711 1.00 22.03 H new ATOM 0 HB3 LYS A 98 -13.833 -27.070 -4.584 1.00 22.03 H new ATOM 0 HG2 LYS A 98 -11.789 -28.372 -5.546 1.00 74.14 H new ATOM 0 HG3 LYS A 98 -10.878 -27.618 -4.252 1.00 74.14 H new ATOM 0 HD2 LYS A 98 -12.124 -28.700 -2.561 1.00 62.52 H new ATOM 0 HD3 LYS A 98 -13.478 -29.023 -3.625 1.00 62.52 H new ATOM 0 HE2 LYS A 98 -11.600 -30.429 -4.956 1.00 64.02 H new ATOM 0 HE3 LYS A 98 -10.873 -30.487 -3.363 1.00 64.02 H new ATOM 0 HZ1 LYS A 98 -12.328 -32.371 -3.730 1.00 61.25 H new ATOM 0 HZ2 LYS A 98 -12.942 -31.399 -2.480 1.00 61.25 H new ATOM 0 HZ3 LYS A 98 -13.647 -31.343 -4.024 1.00 61.25 H new ATOM 1539 N GLU A 99 -14.336 -25.894 -7.523 1.00 64.41 N ATOM 1540 CA GLU A 99 -15.605 -25.516 -8.134 1.00 65.20 C ATOM 1541 C GLU A 99 -16.769 -26.235 -7.459 1.00 11.45 C ATOM 1542 O GLU A 99 -16.714 -27.441 -7.216 1.00 44.54 O ATOM 1543 CB GLU A 99 -15.592 -25.837 -9.630 1.00 25.40 C ATOM 1544 CG GLU A 99 -15.195 -27.271 -9.941 1.00 40.34 C ATOM 1545 CD GLU A 99 -16.244 -28.002 -10.756 1.00 20.40 C ATOM 1546 OE1 GLU A 99 -16.820 -27.384 -11.675 1.00 32.00 O ATOM 1547 OE2 GLU A 99 -16.488 -29.194 -10.474 1.00 32.41 O ATOM 0 H GLU A 99 -13.801 -26.583 -8.052 1.00 64.41 H new ATOM 0 HA GLU A 99 -15.737 -24.442 -8.001 1.00 65.20 H new ATOM 0 HB2 GLU A 99 -16.582 -25.645 -10.043 1.00 25.40 H new ATOM 0 HB3 GLU A 99 -14.901 -25.160 -10.132 1.00 25.40 H new ATOM 0 HG2 GLU A 99 -14.251 -27.273 -10.485 1.00 40.34 H new ATOM 0 HG3 GLU A 99 -15.026 -27.808 -9.008 1.00 40.34 H new ATOM 1554 N LYS A 100 -17.824 -25.485 -7.156 1.00 5.11 N ATOM 1555 CA LYS A 100 -19.003 -26.048 -6.509 1.00 2.21 C ATOM 1556 C LYS A 100 -19.733 -27.005 -7.446 1.00 3.11 C ATOM 1557 O LYS A 100 -20.883 -26.769 -7.817 1.00 62.11 O ATOM 1558 CB LYS A 100 -19.949 -24.930 -6.066 1.00 53.21 C ATOM 1559 CG LYS A 100 -19.328 -23.966 -5.070 1.00 33.13 C ATOM 1560 CD LYS A 100 -20.384 -23.315 -4.192 1.00 42.50 C ATOM 1561 CE LYS A 100 -21.262 -22.363 -4.990 1.00 33.12 C ATOM 1562 NZ LYS A 100 -22.570 -22.123 -4.320 1.00 55.21 N ATOM 0 H LYS A 100 -17.886 -24.485 -7.349 1.00 5.11 H new ATOM 0 HA LYS A 100 -18.674 -26.606 -5.632 1.00 2.21 H new ATOM 0 HB2 LYS A 100 -20.275 -24.372 -6.944 1.00 53.21 H new ATOM 0 HB3 LYS A 100 -20.840 -25.374 -5.622 1.00 53.21 H new ATOM 0 HG2 LYS A 100 -18.611 -24.499 -4.445 1.00 33.13 H new ATOM 0 HG3 LYS A 100 -18.773 -23.196 -5.605 1.00 33.13 H new ATOM 0 HD2 LYS A 100 -21.004 -24.086 -3.734 1.00 42.50 H new ATOM 0 HD3 LYS A 100 -19.900 -22.772 -3.381 1.00 42.50 H new ATOM 0 HE2 LYS A 100 -20.742 -21.414 -5.123 1.00 33.12 H new ATOM 0 HE3 LYS A 100 -21.433 -22.774 -5.985 1.00 33.12 H new ATOM 0 HZ1 LYS A 100 -23.140 -21.469 -4.894 1.00 55.21 H new ATOM 0 HZ2 LYS A 100 -23.077 -23.025 -4.216 1.00 55.21 H new ATOM 0 HZ3 LYS A 100 -22.408 -21.707 -3.381 1.00 55.21 H new TER 1576 LYS A 100