USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot 180:sc= -0.199 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 63 HIS : no HD1:sc= -0.136 X(o=-0.2,f=0.0024) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.0614 K(o=-0.2,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= -0.586 (180deg=-3.18!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -150:sc= -0.836 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -70:sc= 1.4 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 26 SER OG : rot -120:sc= -0.819 USER MOD Single : A 29 HIS : no HD1:sc= -0.141 K(o=-0.14,f=-0.71) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 150:sc= -0.0182 USER MOD Single : A 88 CYS SG : rot 180:sc= 0.00121 USER MOD Single : A 89 GLN : amide:sc= -0.39 K(o=-0.39,f=-2.3!) USER MOD Single : A 93 THR OG1 : rot -168:sc= 0.0642 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 32:sc= 0.104 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.362 -1.330 -2.353 1.00 63.20 N ATOM 2 CA MET A 1 2.123 -1.133 -3.582 1.00 21.45 C ATOM 3 C MET A 1 1.215 -0.668 -4.715 1.00 13.31 C ATOM 4 O MET A 1 0.972 -1.388 -5.684 1.00 12.33 O ATOM 5 CB MET A 1 2.832 -2.429 -3.980 1.00 44.04 C ATOM 6 CG MET A 1 3.737 -2.986 -2.893 1.00 71.22 C ATOM 7 SD MET A 1 3.994 -4.764 -3.047 1.00 71.21 S ATOM 8 CE MET A 1 2.662 -5.389 -2.026 1.00 15.41 C ATOM 0 H1 MET A 1 1.806 -0.794 -1.580 1.00 63.20 H new ATOM 0 H2 MET A 1 0.387 -0.996 -2.491 1.00 63.20 H new ATOM 0 H3 MET A 1 1.350 -2.341 -2.110 1.00 63.20 H new ATOM 0 HA MET A 1 2.869 -0.360 -3.398 1.00 21.45 H new ATOM 0 HB2 MET A 1 2.084 -3.178 -4.237 1.00 44.04 H new ATOM 0 HB3 MET A 1 3.424 -2.249 -4.877 1.00 44.04 H new ATOM 0 HG2 MET A 1 4.701 -2.479 -2.933 1.00 71.22 H new ATOM 0 HG3 MET A 1 3.303 -2.769 -1.917 1.00 71.22 H new ATOM 0 HE1 MET A 1 2.688 -6.479 -2.021 1.00 15.41 H new ATOM 0 HE2 MET A 1 2.780 -5.018 -1.008 1.00 15.41 H new ATOM 0 HE3 MET A 1 1.707 -5.051 -2.427 1.00 15.41 H new ATOM 18 N PRO A 2 0.700 0.565 -4.593 1.00 75.23 N ATOM 19 CA PRO A 2 -0.190 1.154 -5.599 1.00 30.33 C ATOM 20 C PRO A 2 0.539 1.480 -6.898 1.00 11.34 C ATOM 21 O PRO A 2 1.671 1.045 -7.113 1.00 31.24 O ATOM 22 CB PRO A 2 -0.685 2.437 -4.926 1.00 72.52 C ATOM 23 CG PRO A 2 0.381 2.786 -3.946 1.00 53.20 C ATOM 24 CD PRO A 2 0.946 1.479 -3.465 1.00 63.52 C ATOM 0 HA PRO A 2 -0.990 0.471 -5.886 1.00 30.33 H new ATOM 0 HB2 PRO A 2 -0.830 3.235 -5.654 1.00 72.52 H new ATOM 0 HB3 PRO A 2 -1.643 2.280 -4.430 1.00 72.52 H new ATOM 0 HG2 PRO A 2 1.154 3.397 -4.412 1.00 53.20 H new ATOM 0 HG3 PRO A 2 -0.026 3.364 -3.116 1.00 53.20 H new ATOM 0 HD2 PRO A 2 2.009 1.560 -3.238 1.00 63.52 H new ATOM 0 HD3 PRO A 2 0.451 1.138 -2.556 1.00 63.52 H new ATOM 32 N LEU A 3 -0.116 2.249 -7.761 1.00 3.24 N ATOM 33 CA LEU A 3 0.471 2.635 -9.039 1.00 52.14 C ATOM 34 C LEU A 3 0.472 4.152 -9.202 1.00 72.35 C ATOM 35 O LEU A 3 -0.476 4.829 -8.803 1.00 4.20 O ATOM 36 CB LEU A 3 -0.299 1.987 -10.192 1.00 4.31 C ATOM 37 CG LEU A 3 -0.079 2.602 -11.575 1.00 31.13 C ATOM 38 CD1 LEU A 3 1.363 2.413 -12.020 1.00 53.10 C ATOM 39 CD2 LEU A 3 -1.036 1.991 -12.588 1.00 14.32 C ATOM 0 H LEU A 3 -1.053 2.617 -7.599 1.00 3.24 H new ATOM 0 HA LEU A 3 1.503 2.286 -9.057 1.00 52.14 H new ATOM 0 HB2 LEU A 3 -0.026 0.933 -10.238 1.00 4.31 H new ATOM 0 HB3 LEU A 3 -1.364 2.031 -9.962 1.00 4.31 H new ATOM 0 HG LEU A 3 -0.281 3.671 -11.513 1.00 31.13 H new ATOM 0 HD11 LEU A 3 1.501 2.857 -13.006 1.00 53.10 H new ATOM 0 HD12 LEU A 3 2.030 2.898 -11.307 1.00 53.10 H new ATOM 0 HD13 LEU A 3 1.593 1.349 -12.066 1.00 53.10 H new ATOM 0 HD21 LEU A 3 -0.866 2.440 -13.566 1.00 14.32 H new ATOM 0 HD22 LEU A 3 -0.865 0.916 -12.647 1.00 14.32 H new ATOM 0 HD23 LEU A 3 -2.064 2.178 -12.277 1.00 14.32 H new ATOM 51 N ILE A 4 1.540 4.677 -9.793 1.00 54.22 N ATOM 52 CA ILE A 4 1.662 6.113 -10.012 1.00 53.11 C ATOM 53 C ILE A 4 1.689 6.442 -11.501 1.00 32.11 C ATOM 54 O ILE A 4 2.491 5.891 -12.256 1.00 32.12 O ATOM 55 CB ILE A 4 2.933 6.677 -9.350 1.00 15.51 C ATOM 56 CG1 ILE A 4 2.970 6.304 -7.867 1.00 22.43 C ATOM 57 CG2 ILE A 4 2.994 8.188 -9.523 1.00 33.22 C ATOM 58 CD1 ILE A 4 1.721 6.701 -7.112 1.00 21.24 C ATOM 0 H ILE A 4 2.333 4.130 -10.129 1.00 54.22 H new ATOM 0 HA ILE A 4 0.788 6.577 -9.556 1.00 53.11 H new ATOM 0 HB ILE A 4 3.804 6.239 -9.838 1.00 15.51 H new ATOM 0 HG12 ILE A 4 3.113 5.227 -7.775 1.00 22.43 H new ATOM 0 HG13 ILE A 4 3.833 6.781 -7.402 1.00 22.43 H new ATOM 0 HG21 ILE A 4 3.898 8.572 -9.050 1.00 33.22 H new ATOM 0 HG22 ILE A 4 3.008 8.432 -10.585 1.00 33.22 H new ATOM 0 HG23 ILE A 4 2.120 8.643 -9.058 1.00 33.22 H new ATOM 0 HD11 ILE A 4 1.818 6.405 -6.067 1.00 21.24 H new ATOM 0 HD12 ILE A 4 1.587 7.781 -7.173 1.00 21.24 H new ATOM 0 HD13 ILE A 4 0.857 6.203 -7.551 1.00 21.24 H new ATOM 70 N THR A 5 0.808 7.346 -11.918 1.00 74.20 N ATOM 71 CA THR A 5 0.730 7.749 -13.316 1.00 44.53 C ATOM 72 C THR A 5 1.742 8.846 -13.629 1.00 24.22 C ATOM 73 O THR A 5 1.593 9.986 -13.190 1.00 55.31 O ATOM 74 CB THR A 5 -0.680 8.250 -13.679 1.00 53.24 C ATOM 75 OG1 THR A 5 -1.637 7.202 -13.487 1.00 2.14 O ATOM 76 CG2 THR A 5 -0.730 8.730 -15.122 1.00 63.42 C ATOM 0 H THR A 5 0.138 7.813 -11.307 1.00 74.20 H new ATOM 0 HA THR A 5 0.958 6.866 -13.912 1.00 44.53 H new ATOM 0 HB THR A 5 -0.922 9.088 -13.025 1.00 53.24 H new ATOM 0 HG1 THR A 5 -2.531 7.529 -13.718 1.00 2.14 H new ATOM 0 HG21 THR A 5 -1.736 9.079 -15.355 1.00 63.42 H new ATOM 0 HG22 THR A 5 -0.022 9.547 -15.258 1.00 63.42 H new ATOM 0 HG23 THR A 5 -0.468 7.908 -15.788 1.00 63.42 H new ATOM 84 N PHE A 6 2.773 8.494 -14.390 1.00 61.42 N ATOM 85 CA PHE A 6 3.811 9.448 -14.761 1.00 52.55 C ATOM 86 C PHE A 6 3.471 10.135 -16.081 1.00 10.41 C ATOM 87 O PHE A 6 3.104 9.481 -17.057 1.00 33.30 O ATOM 88 CB PHE A 6 5.165 8.744 -14.874 1.00 13.51 C ATOM 89 CG PHE A 6 5.755 8.364 -13.546 1.00 12.40 C ATOM 90 CD1 PHE A 6 5.791 9.275 -12.503 1.00 12.43 C ATOM 91 CD2 PHE A 6 6.274 7.096 -13.341 1.00 40.23 C ATOM 92 CE1 PHE A 6 6.333 8.929 -11.279 1.00 72.23 C ATOM 93 CE2 PHE A 6 6.817 6.744 -12.120 1.00 72.21 C ATOM 94 CZ PHE A 6 6.847 7.662 -11.088 1.00 64.52 C ATOM 0 H PHE A 6 2.912 7.554 -14.762 1.00 61.42 H new ATOM 0 HA PHE A 6 3.868 10.206 -13.980 1.00 52.55 H new ATOM 0 HB2 PHE A 6 5.049 7.846 -15.482 1.00 13.51 H new ATOM 0 HB3 PHE A 6 5.862 9.397 -15.399 1.00 13.51 H new ATOM 0 HD1 PHE A 6 5.391 10.268 -12.648 1.00 12.43 H new ATOM 0 HD2 PHE A 6 6.254 6.375 -14.144 1.00 40.23 H new ATOM 0 HE1 PHE A 6 6.354 9.649 -10.474 1.00 72.23 H new ATOM 0 HE2 PHE A 6 7.218 5.752 -11.973 1.00 72.21 H new ATOM 0 HZ PHE A 6 7.272 7.389 -10.133 1.00 64.52 H new ATOM 104 N ILE A 7 3.596 11.458 -16.102 1.00 12.14 N ATOM 105 CA ILE A 7 3.303 12.234 -17.300 1.00 74.23 C ATOM 106 C ILE A 7 4.584 12.736 -17.957 1.00 11.20 C ATOM 107 O ILE A 7 5.217 13.673 -17.470 1.00 23.30 O ATOM 108 CB ILE A 7 2.395 13.437 -16.984 1.00 41.31 C ATOM 109 CG1 ILE A 7 1.218 13.000 -16.110 1.00 53.32 C ATOM 110 CG2 ILE A 7 1.897 14.078 -18.271 1.00 64.11 C ATOM 111 CD1 ILE A 7 1.492 13.111 -14.627 1.00 3.32 C ATOM 0 H ILE A 7 3.898 12.015 -15.302 1.00 12.14 H new ATOM 0 HA ILE A 7 2.782 11.568 -17.988 1.00 74.23 H new ATOM 0 HB ILE A 7 2.976 14.177 -16.434 1.00 41.31 H new ATOM 0 HG12 ILE A 7 0.348 13.608 -16.357 1.00 53.32 H new ATOM 0 HG13 ILE A 7 0.963 11.967 -16.348 1.00 53.32 H new ATOM 0 HG21 ILE A 7 1.257 14.927 -18.031 1.00 64.11 H new ATOM 0 HG22 ILE A 7 2.748 14.421 -18.860 1.00 64.11 H new ATOM 0 HG23 ILE A 7 1.329 13.346 -18.846 1.00 64.11 H new ATOM 0 HD11 ILE A 7 0.614 12.785 -14.069 1.00 3.32 H new ATOM 0 HD12 ILE A 7 2.343 12.481 -14.366 1.00 3.32 H new ATOM 0 HD13 ILE A 7 1.717 14.147 -14.375 1.00 3.32 H new ATOM 123 N SER A 8 4.959 12.108 -19.067 1.00 2.32 N ATOM 124 CA SER A 8 6.166 12.490 -19.790 1.00 43.22 C ATOM 125 C SER A 8 6.000 13.861 -20.438 1.00 44.44 C ATOM 126 O SER A 8 4.889 14.353 -20.636 1.00 72.50 O ATOM 127 CB SER A 8 6.499 11.446 -20.858 1.00 34.24 C ATOM 128 OG SER A 8 5.343 10.720 -21.238 1.00 74.02 O ATOM 0 H SER A 8 4.444 11.333 -19.485 1.00 2.32 H new ATOM 0 HA SER A 8 6.987 12.542 -19.075 1.00 43.22 H new ATOM 0 HB2 SER A 8 6.927 11.938 -21.731 1.00 34.24 H new ATOM 0 HB3 SER A 8 7.255 10.759 -20.477 1.00 34.24 H new ATOM 0 HG SER A 8 5.601 9.815 -21.512 1.00 74.02 H new ATOM 134 N PRO A 9 7.133 14.495 -20.778 1.00 14.43 N ATOM 135 CA PRO A 9 7.140 15.818 -21.409 1.00 43.31 C ATOM 136 C PRO A 9 6.617 15.780 -22.841 1.00 11.42 C ATOM 137 O PRO A 9 6.380 16.822 -23.453 1.00 64.11 O ATOM 138 CB PRO A 9 8.620 16.211 -21.391 1.00 14.52 C ATOM 139 CG PRO A 9 9.355 14.916 -21.359 1.00 3.53 C ATOM 140 CD PRO A 9 8.492 13.969 -20.572 1.00 5.45 C ATOM 0 HA PRO A 9 6.491 16.522 -20.888 1.00 43.31 H new ATOM 0 HB2 PRO A 9 8.885 16.795 -22.272 1.00 14.52 H new ATOM 0 HB3 PRO A 9 8.857 16.822 -20.520 1.00 14.52 H new ATOM 0 HG2 PRO A 9 9.527 14.540 -22.368 1.00 3.53 H new ATOM 0 HG3 PRO A 9 10.332 15.034 -20.891 1.00 3.53 H new ATOM 0 HD2 PRO A 9 8.586 12.945 -20.934 1.00 5.45 H new ATOM 0 HD3 PRO A 9 8.764 13.960 -19.516 1.00 5.45 H new ATOM 148 N ASP A 10 6.438 14.574 -23.368 1.00 52.54 N ATOM 149 CA ASP A 10 5.940 14.401 -24.728 1.00 45.13 C ATOM 150 C ASP A 10 4.429 14.198 -24.732 1.00 74.42 C ATOM 151 O ASP A 10 3.867 13.661 -25.686 1.00 32.41 O ATOM 152 CB ASP A 10 6.629 13.211 -25.398 1.00 44.12 C ATOM 153 CG ASP A 10 7.979 13.578 -25.984 1.00 31.13 C ATOM 154 OD1 ASP A 10 8.915 13.838 -25.199 1.00 33.10 O ATOM 155 OD2 ASP A 10 8.099 13.606 -27.227 1.00 21.24 O ATOM 0 H ASP A 10 6.630 13.702 -22.875 1.00 52.54 H new ATOM 0 HA ASP A 10 6.168 15.307 -25.290 1.00 45.13 H new ATOM 0 HB2 ASP A 10 6.758 12.412 -24.668 1.00 44.12 H new ATOM 0 HB3 ASP A 10 5.987 12.821 -26.188 1.00 44.12 H new ATOM 160 N GLY A 11 3.775 14.630 -23.658 1.00 24.02 N ATOM 161 CA GLY A 11 2.335 14.485 -23.557 1.00 51.12 C ATOM 162 C GLY A 11 1.907 13.039 -23.402 1.00 40.24 C ATOM 163 O GLY A 11 0.724 12.719 -23.516 1.00 52.42 O ATOM 0 H GLY A 11 4.217 15.078 -22.856 1.00 24.02 H new ATOM 0 HA2 GLY A 11 1.974 15.061 -22.705 1.00 51.12 H new ATOM 0 HA3 GLY A 11 1.867 14.906 -24.447 1.00 51.12 H new ATOM 167 N SER A 12 2.872 12.162 -23.144 1.00 1.52 N ATOM 168 CA SER A 12 2.590 10.741 -22.979 1.00 13.42 C ATOM 169 C SER A 12 2.342 10.404 -21.512 1.00 32.52 C ATOM 170 O SER A 12 2.391 11.277 -20.645 1.00 63.25 O ATOM 171 CB SER A 12 3.751 9.903 -23.518 1.00 15.31 C ATOM 172 OG SER A 12 3.536 9.546 -24.872 1.00 73.13 O ATOM 0 H SER A 12 3.856 12.411 -23.045 1.00 1.52 H new ATOM 0 HA SER A 12 1.689 10.506 -23.545 1.00 13.42 H new ATOM 0 HB2 SER A 12 4.681 10.465 -23.430 1.00 15.31 H new ATOM 0 HB3 SER A 12 3.864 9.002 -22.915 1.00 15.31 H new ATOM 0 HG SER A 12 4.292 9.012 -25.194 1.00 73.13 H new ATOM 178 N ARG A 13 2.075 9.130 -21.241 1.00 70.05 N ATOM 179 CA ARG A 13 1.818 8.676 -19.880 1.00 71.42 C ATOM 180 C ARG A 13 2.413 7.290 -19.648 1.00 72.32 C ATOM 181 O ARG A 13 2.138 6.351 -20.396 1.00 21.11 O ATOM 182 CB ARG A 13 0.313 8.649 -19.604 1.00 45.22 C ATOM 183 CG ARG A 13 -0.500 8.017 -20.722 1.00 22.33 C ATOM 184 CD ARG A 13 -1.960 7.858 -20.327 1.00 23.41 C ATOM 185 NE ARG A 13 -2.722 7.124 -21.333 1.00 60.53 N ATOM 186 CZ ARG A 13 -3.993 6.769 -21.179 1.00 23.35 C ATOM 187 NH1 ARG A 13 -4.640 7.080 -20.064 1.00 71.50 N ATOM 188 NH2 ARG A 13 -4.618 6.102 -22.140 1.00 75.00 N ATOM 0 H ARG A 13 2.031 8.394 -21.946 1.00 70.05 H new ATOM 0 HA ARG A 13 2.294 9.377 -19.194 1.00 71.42 H new ATOM 0 HB2 ARG A 13 0.132 8.101 -18.680 1.00 45.22 H new ATOM 0 HB3 ARG A 13 -0.037 9.669 -19.444 1.00 45.22 H new ATOM 0 HG2 ARG A 13 -0.429 8.633 -21.618 1.00 22.33 H new ATOM 0 HG3 ARG A 13 -0.081 7.042 -20.972 1.00 22.33 H new ATOM 0 HD2 ARG A 13 -2.022 7.336 -19.372 1.00 23.41 H new ATOM 0 HD3 ARG A 13 -2.405 8.842 -20.182 1.00 23.41 H new ATOM 0 HE ARG A 13 -2.253 6.870 -22.202 1.00 60.53 H new ATOM 0 HH11 ARG A 13 -4.162 7.593 -19.323 1.00 71.50 H new ATOM 0 HH12 ARG A 13 -5.616 6.807 -19.947 1.00 71.50 H new ATOM 0 HH21 ARG A 13 -4.123 5.861 -22.999 1.00 75.00 H new ATOM 0 HH22 ARG A 13 -5.594 5.830 -22.020 1.00 75.00 H new ATOM 202 N LYS A 14 3.230 7.169 -18.607 1.00 51.04 N ATOM 203 CA LYS A 14 3.864 5.899 -18.275 1.00 71.21 C ATOM 204 C LYS A 14 3.167 5.236 -17.091 1.00 72.14 C ATOM 205 O LYS A 14 2.688 5.913 -16.181 1.00 33.54 O ATOM 206 CB LYS A 14 5.345 6.113 -17.954 1.00 13.02 C ATOM 207 CG LYS A 14 6.124 6.765 -19.083 1.00 11.23 C ATOM 208 CD LYS A 14 6.634 5.735 -20.076 1.00 62.21 C ATOM 209 CE LYS A 14 5.608 5.452 -21.162 1.00 73.42 C ATOM 210 NZ LYS A 14 6.248 4.979 -22.421 1.00 1.21 N ATOM 0 H LYS A 14 3.469 7.936 -17.978 1.00 51.04 H new ATOM 0 HA LYS A 14 3.777 5.241 -19.140 1.00 71.21 H new ATOM 0 HB2 LYS A 14 5.429 6.732 -17.061 1.00 13.02 H new ATOM 0 HB3 LYS A 14 5.800 5.151 -17.718 1.00 13.02 H new ATOM 0 HG2 LYS A 14 5.487 7.484 -19.598 1.00 11.23 H new ATOM 0 HG3 LYS A 14 6.965 7.322 -18.671 1.00 11.23 H new ATOM 0 HD2 LYS A 14 7.558 6.093 -20.531 1.00 62.21 H new ATOM 0 HD3 LYS A 14 6.875 4.810 -19.551 1.00 62.21 H new ATOM 0 HE2 LYS A 14 4.903 4.700 -20.808 1.00 73.42 H new ATOM 0 HE3 LYS A 14 5.034 6.356 -21.364 1.00 73.42 H new ATOM 0 HZ1 LYS A 14 5.515 4.797 -23.136 1.00 1.21 H new ATOM 0 HZ2 LYS A 14 6.902 5.707 -22.773 1.00 1.21 H new ATOM 0 HZ3 LYS A 14 6.775 4.102 -22.234 1.00 1.21 H new ATOM 224 N THR A 15 3.114 3.908 -17.109 1.00 62.42 N ATOM 225 CA THR A 15 2.476 3.153 -16.038 1.00 2.54 C ATOM 226 C THR A 15 3.467 2.212 -15.363 1.00 32.41 C ATOM 227 O THR A 15 3.942 1.254 -15.974 1.00 4.05 O ATOM 228 CB THR A 15 1.281 2.334 -16.561 1.00 45.33 C ATOM 229 OG1 THR A 15 0.453 3.153 -17.394 1.00 44.34 O ATOM 230 CG2 THR A 15 0.459 1.780 -15.408 1.00 74.43 C ATOM 0 H THR A 15 3.506 3.333 -17.855 1.00 62.42 H new ATOM 0 HA THR A 15 2.116 3.880 -15.310 1.00 2.54 H new ATOM 0 HB THR A 15 1.669 1.499 -17.144 1.00 45.33 H new ATOM 0 HG1 THR A 15 -0.304 2.625 -17.724 1.00 44.34 H new ATOM 0 HG21 THR A 15 -0.379 1.205 -15.802 1.00 74.43 H new ATOM 0 HG22 THR A 15 1.085 1.134 -14.793 1.00 74.43 H new ATOM 0 HG23 THR A 15 0.081 2.603 -14.802 1.00 74.43 H new ATOM 238 N TYR A 16 3.773 2.489 -14.101 1.00 24.35 N ATOM 239 CA TYR A 16 4.709 1.666 -13.343 1.00 44.31 C ATOM 240 C TYR A 16 4.364 1.676 -11.857 1.00 42.01 C ATOM 241 O TYR A 16 4.160 2.734 -11.264 1.00 4.54 O ATOM 242 CB TYR A 16 6.141 2.165 -13.549 1.00 32.12 C ATOM 243 CG TYR A 16 6.753 1.724 -14.859 1.00 42.01 C ATOM 244 CD1 TYR A 16 6.568 2.465 -16.019 1.00 42.35 C ATOM 245 CD2 TYR A 16 7.518 0.566 -14.936 1.00 53.33 C ATOM 246 CE1 TYR A 16 7.125 2.066 -17.219 1.00 22.32 C ATOM 247 CE2 TYR A 16 8.080 0.160 -16.131 1.00 72.20 C ATOM 248 CZ TYR A 16 7.880 0.913 -17.269 1.00 63.55 C ATOM 249 OH TYR A 16 8.438 0.512 -18.462 1.00 30.21 O ATOM 0 H TYR A 16 3.387 3.277 -13.581 1.00 24.35 H new ATOM 0 HA TYR A 16 4.631 0.642 -13.708 1.00 44.31 H new ATOM 0 HB2 TYR A 16 6.148 3.254 -13.503 1.00 32.12 H new ATOM 0 HB3 TYR A 16 6.763 1.808 -12.728 1.00 32.12 H new ATOM 0 HD1 TYR A 16 5.978 3.369 -15.983 1.00 42.35 H new ATOM 0 HD2 TYR A 16 7.676 -0.026 -14.047 1.00 53.33 H new ATOM 0 HE1 TYR A 16 6.970 2.653 -18.112 1.00 22.32 H new ATOM 0 HE2 TYR A 16 8.673 -0.742 -16.174 1.00 72.20 H new ATOM 0 HH TYR A 16 8.940 -0.319 -18.326 1.00 30.21 H new ATOM 259 N GLU A 17 4.301 0.488 -11.263 1.00 42.41 N ATOM 260 CA GLU A 17 3.981 0.360 -9.846 1.00 74.34 C ATOM 261 C GLU A 17 5.088 0.955 -8.982 1.00 22.33 C ATOM 262 O GLU A 17 6.268 0.668 -9.182 1.00 21.34 O ATOM 263 CB GLU A 17 3.767 -1.111 -9.481 1.00 2.34 C ATOM 264 CG GLU A 17 2.365 -1.614 -9.777 1.00 73.33 C ATOM 265 CD GLU A 17 2.180 -3.075 -9.413 1.00 10.42 C ATOM 266 OE1 GLU A 17 1.984 -3.366 -8.214 1.00 52.02 O ATOM 267 OE2 GLU A 17 2.232 -3.926 -10.325 1.00 53.41 O ATOM 0 H GLU A 17 4.467 -0.398 -11.740 1.00 42.41 H new ATOM 0 HA GLU A 17 3.061 0.912 -9.656 1.00 74.34 H new ATOM 0 HB2 GLU A 17 4.486 -1.721 -10.029 1.00 2.34 H new ATOM 0 HB3 GLU A 17 3.976 -1.247 -8.420 1.00 2.34 H new ATOM 0 HG2 GLU A 17 1.643 -1.012 -9.225 1.00 73.33 H new ATOM 0 HG3 GLU A 17 2.150 -1.478 -10.837 1.00 73.33 H new ATOM 274 N ALA A 18 4.698 1.786 -8.020 1.00 65.44 N ATOM 275 CA ALA A 18 5.657 2.420 -7.124 1.00 51.22 C ATOM 276 C ALA A 18 5.496 1.909 -5.697 1.00 33.43 C ATOM 277 O ALA A 18 4.473 1.316 -5.351 1.00 64.32 O ATOM 278 CB ALA A 18 5.497 3.933 -7.166 1.00 62.31 C ATOM 0 H ALA A 18 3.725 2.035 -7.842 1.00 65.44 H new ATOM 0 HA ALA A 18 6.660 2.162 -7.463 1.00 51.22 H new ATOM 0 HB1 ALA A 18 6.219 4.394 -6.492 1.00 62.31 H new ATOM 0 HB2 ALA A 18 5.669 4.289 -8.182 1.00 62.31 H new ATOM 0 HB3 ALA A 18 4.488 4.201 -6.854 1.00 62.31 H new ATOM 284 N TYR A 19 6.511 2.141 -4.872 1.00 73.20 N ATOM 285 CA TYR A 19 6.483 1.700 -3.482 1.00 54.43 C ATOM 286 C TYR A 19 6.311 2.887 -2.538 1.00 61.43 C ATOM 287 O TYR A 19 6.109 4.019 -2.977 1.00 13.13 O ATOM 288 CB TYR A 19 7.766 0.943 -3.139 1.00 63.24 C ATOM 289 CG TYR A 19 7.541 -0.518 -2.823 1.00 71.50 C ATOM 290 CD1 TYR A 19 7.412 -1.458 -3.839 1.00 13.35 C ATOM 291 CD2 TYR A 19 7.458 -0.960 -1.508 1.00 42.10 C ATOM 292 CE1 TYR A 19 7.205 -2.794 -3.554 1.00 11.41 C ATOM 293 CE2 TYR A 19 7.253 -2.294 -1.214 1.00 21.10 C ATOM 294 CZ TYR A 19 7.127 -3.207 -2.240 1.00 55.23 C ATOM 295 OH TYR A 19 6.922 -4.537 -1.953 1.00 0.14 O ATOM 0 H TYR A 19 7.363 2.632 -5.142 1.00 73.20 H new ATOM 0 HA TYR A 19 5.631 1.032 -3.356 1.00 54.43 H new ATOM 0 HB2 TYR A 19 8.459 1.022 -3.976 1.00 63.24 H new ATOM 0 HB3 TYR A 19 8.243 1.422 -2.284 1.00 63.24 H new ATOM 0 HD1 TYR A 19 7.475 -1.138 -4.869 1.00 13.35 H new ATOM 0 HD2 TYR A 19 7.555 -0.248 -0.702 1.00 42.10 H new ATOM 0 HE1 TYR A 19 7.105 -3.511 -4.355 1.00 11.41 H new ATOM 0 HE2 TYR A 19 7.192 -2.620 -0.186 1.00 21.10 H new ATOM 0 HH TYR A 19 6.010 -4.790 -2.207 1.00 0.14 H new ATOM 305 N ASP A 20 6.394 2.618 -1.240 1.00 63.41 N ATOM 306 CA ASP A 20 6.250 3.662 -0.232 1.00 64.32 C ATOM 307 C ASP A 20 7.611 4.227 0.163 1.00 62.21 C ATOM 308 O ASP A 20 8.413 3.550 0.804 1.00 24.24 O ATOM 309 CB ASP A 20 5.534 3.113 1.003 1.00 62.12 C ATOM 310 CG ASP A 20 6.114 1.792 1.469 1.00 2.13 C ATOM 311 OD1 ASP A 20 5.806 0.755 0.846 1.00 74.23 O ATOM 312 OD2 ASP A 20 6.878 1.796 2.457 1.00 34.14 O ATOM 0 H ASP A 20 6.560 1.686 -0.861 1.00 63.41 H new ATOM 0 HA ASP A 20 5.653 4.467 -0.661 1.00 64.32 H new ATOM 0 HB2 ASP A 20 5.600 3.841 1.811 1.00 62.12 H new ATOM 0 HB3 ASP A 20 4.476 2.982 0.778 1.00 62.12 H new ATOM 317 N GLY A 21 7.865 5.473 -0.226 1.00 73.21 N ATOM 318 CA GLY A 21 9.130 6.107 0.095 1.00 15.52 C ATOM 319 C GLY A 21 10.301 5.456 -0.612 1.00 23.23 C ATOM 320 O GLY A 21 11.457 5.737 -0.298 1.00 44.55 O ATOM 0 H GLY A 21 7.217 6.054 -0.758 1.00 73.21 H new ATOM 0 HA2 GLY A 21 9.084 7.161 -0.179 1.00 15.52 H new ATOM 0 HA3 GLY A 21 9.291 6.065 1.172 1.00 15.52 H new ATOM 324 N GLU A 22 10.002 4.581 -1.567 1.00 21.00 N ATOM 325 CA GLU A 22 11.041 3.886 -2.318 1.00 30.21 C ATOM 326 C GLU A 22 11.384 4.641 -3.599 1.00 2.13 C ATOM 327 O GLU A 22 10.506 4.955 -4.403 1.00 70.21 O ATOM 328 CB GLU A 22 10.591 2.463 -2.657 1.00 0.23 C ATOM 329 CG GLU A 22 11.712 1.578 -3.175 1.00 74.40 C ATOM 330 CD GLU A 22 12.344 0.737 -2.083 1.00 11.35 C ATOM 331 OE1 GLU A 22 13.018 1.316 -1.205 1.00 43.20 O ATOM 332 OE2 GLU A 22 12.165 -0.498 -2.105 1.00 31.21 O ATOM 0 H GLU A 22 9.050 4.337 -1.839 1.00 21.00 H new ATOM 0 HA GLU A 22 11.934 3.839 -1.694 1.00 30.21 H new ATOM 0 HB2 GLU A 22 10.160 2.005 -1.767 1.00 0.23 H new ATOM 0 HB3 GLU A 22 9.800 2.510 -3.406 1.00 0.23 H new ATOM 0 HG2 GLU A 22 11.322 0.922 -3.953 1.00 74.40 H new ATOM 0 HG3 GLU A 22 12.478 2.201 -3.637 1.00 74.40 H new ATOM 339 N THR A 23 12.669 4.931 -3.782 1.00 13.12 N ATOM 340 CA THR A 23 13.129 5.651 -4.963 1.00 21.44 C ATOM 341 C THR A 23 13.112 4.753 -6.195 1.00 2.23 C ATOM 342 O THR A 23 13.093 3.527 -6.082 1.00 33.31 O ATOM 343 CB THR A 23 14.553 6.204 -4.764 1.00 31.32 C ATOM 344 OG1 THR A 23 15.027 6.785 -5.983 1.00 64.14 O ATOM 345 CG2 THR A 23 15.503 5.103 -4.317 1.00 44.21 C ATOM 0 H THR A 23 13.409 4.678 -3.127 1.00 13.12 H new ATOM 0 HA THR A 23 12.442 6.483 -5.114 1.00 21.44 H new ATOM 0 HB THR A 23 14.518 6.968 -3.988 1.00 31.32 H new ATOM 0 HG1 THR A 23 15.932 7.136 -5.848 1.00 64.14 H new ATOM 0 HG21 THR A 23 16.502 5.517 -4.183 1.00 44.21 H new ATOM 0 HG22 THR A 23 15.155 4.683 -3.374 1.00 44.21 H new ATOM 0 HG23 THR A 23 15.534 4.319 -5.074 1.00 44.21 H new ATOM 353 N LEU A 24 13.120 5.371 -7.371 1.00 24.23 N ATOM 354 CA LEU A 24 13.107 4.627 -8.626 1.00 11.14 C ATOM 355 C LEU A 24 14.272 3.645 -8.689 1.00 31.41 C ATOM 356 O LEU A 24 14.206 2.631 -9.385 1.00 61.25 O ATOM 357 CB LEU A 24 13.172 5.590 -9.813 1.00 33.24 C ATOM 358 CG LEU A 24 11.843 6.211 -10.247 1.00 24.35 C ATOM 359 CD1 LEU A 24 10.855 5.128 -10.652 1.00 44.12 C ATOM 360 CD2 LEU A 24 11.267 7.071 -9.131 1.00 70.51 C ATOM 0 H LEU A 24 13.135 6.385 -7.482 1.00 24.23 H new ATOM 0 HA LEU A 24 12.176 4.062 -8.675 1.00 11.14 H new ATOM 0 HB2 LEU A 24 13.863 6.396 -9.564 1.00 33.24 H new ATOM 0 HB3 LEU A 24 13.597 5.058 -10.664 1.00 33.24 H new ATOM 0 HG LEU A 24 12.027 6.848 -11.112 1.00 24.35 H new ATOM 0 HD11 LEU A 24 9.915 5.588 -10.958 1.00 44.12 H new ATOM 0 HD12 LEU A 24 11.265 4.554 -11.483 1.00 44.12 H new ATOM 0 HD13 LEU A 24 10.676 4.464 -9.806 1.00 44.12 H new ATOM 0 HD21 LEU A 24 10.322 7.505 -9.457 1.00 70.51 H new ATOM 0 HD22 LEU A 24 11.098 6.455 -8.247 1.00 70.51 H new ATOM 0 HD23 LEU A 24 11.968 7.869 -8.888 1.00 70.51 H new ATOM 372 N LEU A 25 15.337 3.950 -7.956 1.00 51.00 N ATOM 373 CA LEU A 25 16.517 3.093 -7.927 1.00 31.34 C ATOM 374 C LEU A 25 16.134 1.650 -7.614 1.00 31.25 C ATOM 375 O LEU A 25 16.699 0.711 -8.174 1.00 44.34 O ATOM 376 CB LEU A 25 17.517 3.604 -6.888 1.00 60.30 C ATOM 377 CG LEU A 25 18.216 4.922 -7.221 1.00 54.41 C ATOM 378 CD1 LEU A 25 18.778 5.562 -5.961 1.00 31.31 C ATOM 379 CD2 LEU A 25 19.319 4.698 -8.245 1.00 74.12 C ATOM 0 H LEU A 25 15.408 4.784 -7.374 1.00 51.00 H new ATOM 0 HA LEU A 25 16.981 3.121 -8.913 1.00 31.34 H new ATOM 0 HB2 LEU A 25 16.995 3.722 -5.938 1.00 60.30 H new ATOM 0 HB3 LEU A 25 18.279 2.839 -6.740 1.00 60.30 H new ATOM 0 HG LEU A 25 17.481 5.601 -7.652 1.00 54.41 H new ATOM 0 HD11 LEU A 25 19.272 6.499 -6.218 1.00 31.31 H new ATOM 0 HD12 LEU A 25 17.967 5.760 -5.260 1.00 31.31 H new ATOM 0 HD13 LEU A 25 19.499 4.887 -5.500 1.00 31.31 H new ATOM 0 HD21 LEU A 25 19.805 5.647 -8.470 1.00 74.12 H new ATOM 0 HD22 LEU A 25 20.053 4.001 -7.842 1.00 74.12 H new ATOM 0 HD23 LEU A 25 18.890 4.285 -9.158 1.00 74.12 H new ATOM 391 N SER A 26 15.168 1.481 -6.716 1.00 24.32 N ATOM 392 CA SER A 26 14.710 0.152 -6.327 1.00 24.01 C ATOM 393 C SER A 26 13.799 -0.443 -7.396 1.00 30.00 C ATOM 394 O SER A 26 13.727 -1.662 -7.559 1.00 13.21 O ATOM 395 CB SER A 26 13.972 0.215 -4.989 1.00 12.44 C ATOM 396 OG SER A 26 14.491 1.248 -4.168 1.00 71.31 O ATOM 0 H SER A 26 14.688 2.247 -6.245 1.00 24.32 H new ATOM 0 HA SER A 26 15.584 -0.490 -6.221 1.00 24.01 H new ATOM 0 HB2 SER A 26 12.910 0.384 -5.164 1.00 12.44 H new ATOM 0 HB3 SER A 26 14.062 -0.742 -4.475 1.00 12.44 H new ATOM 0 HG SER A 26 14.831 0.863 -3.334 1.00 71.31 H new ATOM 402 N LEU A 27 13.104 0.426 -8.122 1.00 64.33 N ATOM 403 CA LEU A 27 12.196 -0.012 -9.177 1.00 25.00 C ATOM 404 C LEU A 27 12.924 -0.886 -10.194 1.00 10.22 C ATOM 405 O LEU A 27 12.343 -1.810 -10.761 1.00 73.21 O ATOM 406 CB LEU A 27 11.577 1.198 -9.878 1.00 74.01 C ATOM 407 CG LEU A 27 10.166 1.001 -10.436 1.00 25.03 C ATOM 408 CD1 LEU A 27 9.152 0.918 -9.305 1.00 43.05 C ATOM 409 CD2 LEU A 27 9.809 2.128 -11.393 1.00 44.35 C ATOM 0 H LEU A 27 13.152 1.438 -8.000 1.00 64.33 H new ATOM 0 HA LEU A 27 11.404 -0.604 -8.718 1.00 25.00 H new ATOM 0 HB2 LEU A 27 11.555 2.029 -9.173 1.00 74.01 H new ATOM 0 HB3 LEU A 27 12.232 1.493 -10.698 1.00 74.01 H new ATOM 0 HG LEU A 27 10.142 0.061 -10.988 1.00 25.03 H new ATOM 0 HD11 LEU A 27 8.154 0.778 -9.721 1.00 43.05 H new ATOM 0 HD12 LEU A 27 9.397 0.076 -8.658 1.00 43.05 H new ATOM 0 HD13 LEU A 27 9.177 1.841 -8.725 1.00 43.05 H new ATOM 0 HD21 LEU A 27 8.802 1.971 -11.780 1.00 44.35 H new ATOM 0 HD22 LEU A 27 9.851 3.081 -10.865 1.00 44.35 H new ATOM 0 HD23 LEU A 27 10.518 2.141 -12.221 1.00 44.35 H new ATOM 421 N ALA A 28 14.200 -0.587 -10.417 1.00 74.54 N ATOM 422 CA ALA A 28 15.008 -1.348 -11.362 1.00 72.32 C ATOM 423 C ALA A 28 14.983 -2.837 -11.032 1.00 12.21 C ATOM 424 O ALA A 28 15.099 -3.682 -11.920 1.00 24.12 O ATOM 425 CB ALA A 28 16.439 -0.831 -11.369 1.00 33.00 C ATOM 0 H ALA A 28 14.696 0.176 -9.956 1.00 74.54 H new ATOM 0 HA ALA A 28 14.581 -1.216 -12.356 1.00 72.32 H new ATOM 0 HB1 ALA A 28 17.031 -1.408 -12.079 1.00 33.00 H new ATOM 0 HB2 ALA A 28 16.445 0.219 -11.661 1.00 33.00 H new ATOM 0 HB3 ALA A 28 16.868 -0.933 -10.372 1.00 33.00 H new ATOM 431 N HIS A 29 14.831 -3.151 -9.749 1.00 71.23 N ATOM 432 CA HIS A 29 14.791 -4.539 -9.302 1.00 10.11 C ATOM 433 C HIS A 29 13.523 -5.231 -9.792 1.00 33.33 C ATOM 434 O HIS A 29 13.580 -6.321 -10.362 1.00 54.45 O ATOM 435 CB HIS A 29 14.867 -4.607 -7.776 1.00 73.44 C ATOM 436 CG HIS A 29 16.205 -4.221 -7.225 1.00 55.31 C ATOM 437 ND1 HIS A 29 16.841 -3.041 -7.551 1.00 74.53 N ATOM 438 CD2 HIS A 29 17.027 -4.864 -6.363 1.00 54.14 C ATOM 439 CE1 HIS A 29 17.997 -2.977 -6.916 1.00 12.05 C ATOM 440 NE2 HIS A 29 18.134 -4.071 -6.187 1.00 55.55 N ATOM 0 H HIS A 29 14.734 -2.464 -9.002 1.00 71.23 H new ATOM 0 HA HIS A 29 15.652 -5.057 -9.725 1.00 10.11 H new ATOM 0 HB2 HIS A 29 14.106 -3.951 -7.353 1.00 73.44 H new ATOM 0 HB3 HIS A 29 14.629 -5.621 -7.453 1.00 73.44 H new ATOM 0 HD2 HIS A 29 16.846 -5.823 -5.900 1.00 54.14 H new ATOM 0 HE1 HIS A 29 18.710 -2.168 -6.981 1.00 12.05 H new ATOM 0 HE2 HIS A 29 18.932 -4.290 -5.591 1.00 55.55 H new ATOM 716 N VAL A 50 7.567 14.496 1.501 1.00 74.11 N ATOM 717 CA VAL A 50 6.757 13.931 0.428 1.00 31.43 C ATOM 718 C VAL A 50 7.240 14.410 -0.936 1.00 21.40 C ATOM 719 O VAL A 50 8.101 15.285 -1.028 1.00 52.34 O ATOM 720 CB VAL A 50 5.271 14.300 0.593 1.00 74.41 C ATOM 721 CG1 VAL A 50 4.672 13.582 1.793 1.00 73.22 C ATOM 722 CG2 VAL A 50 5.108 15.806 0.727 1.00 52.24 C ATOM 0 HA VAL A 50 6.864 12.848 0.488 1.00 31.43 H new ATOM 0 HB VAL A 50 4.734 13.977 -0.299 1.00 74.41 H new ATOM 0 HG11 VAL A 50 3.622 13.855 1.893 1.00 73.22 H new ATOM 0 HG12 VAL A 50 4.755 12.504 1.651 1.00 73.22 H new ATOM 0 HG13 VAL A 50 5.210 13.871 2.696 1.00 73.22 H new ATOM 0 HG21 VAL A 50 4.052 16.049 0.843 1.00 52.24 H new ATOM 0 HG22 VAL A 50 5.658 16.155 1.601 1.00 52.24 H new ATOM 0 HG23 VAL A 50 5.497 16.295 -0.166 1.00 52.24 H new ATOM 732 N ILE A 51 6.681 13.830 -1.993 1.00 15.04 N ATOM 733 CA ILE A 51 7.053 14.199 -3.352 1.00 44.25 C ATOM 734 C ILE A 51 5.826 14.295 -4.252 1.00 70.53 C ATOM 735 O ILE A 51 5.191 13.286 -4.561 1.00 73.14 O ATOM 736 CB ILE A 51 8.043 13.187 -3.959 1.00 44.31 C ATOM 737 CG1 ILE A 51 8.143 13.383 -5.473 1.00 53.03 C ATOM 738 CG2 ILE A 51 7.615 11.765 -3.630 1.00 60.04 C ATOM 739 CD1 ILE A 51 9.234 12.559 -6.119 1.00 25.32 C ATOM 0 H ILE A 51 5.969 13.102 -1.934 1.00 15.04 H new ATOM 0 HA ILE A 51 7.534 15.175 -3.293 1.00 44.25 H new ATOM 0 HB ILE A 51 9.028 13.359 -3.524 1.00 44.31 H new ATOM 0 HG12 ILE A 51 7.187 13.125 -5.928 1.00 53.03 H new ATOM 0 HG13 ILE A 51 8.323 14.437 -5.683 1.00 53.03 H new ATOM 0 HG21 ILE A 51 8.324 11.061 -4.066 1.00 60.04 H new ATOM 0 HG22 ILE A 51 7.591 11.633 -2.548 1.00 60.04 H new ATOM 0 HG23 ILE A 51 6.622 11.580 -4.040 1.00 60.04 H new ATOM 0 HD11 ILE A 51 9.246 12.749 -7.192 1.00 25.32 H new ATOM 0 HD12 ILE A 51 10.198 12.833 -5.691 1.00 25.32 H new ATOM 0 HD13 ILE A 51 9.045 11.501 -5.940 1.00 25.32 H new ATOM 751 N ILE A 52 5.499 15.513 -4.671 1.00 22.53 N ATOM 752 CA ILE A 52 4.350 15.739 -5.538 1.00 14.01 C ATOM 753 C ILE A 52 4.731 16.588 -6.746 1.00 10.23 C ATOM 754 O ILE A 52 5.752 17.276 -6.736 1.00 50.13 O ATOM 755 CB ILE A 52 3.201 16.431 -4.780 1.00 73.54 C ATOM 756 CG1 ILE A 52 3.759 17.391 -3.729 1.00 24.15 C ATOM 757 CG2 ILE A 52 2.295 15.395 -4.132 1.00 31.52 C ATOM 758 CD1 ILE A 52 4.644 18.473 -4.307 1.00 54.24 C ATOM 0 H ILE A 52 6.014 16.358 -4.424 1.00 22.53 H new ATOM 0 HA ILE A 52 4.013 14.760 -5.877 1.00 14.01 H new ATOM 0 HB ILE A 52 2.610 17.007 -5.492 1.00 73.54 H new ATOM 0 HG12 ILE A 52 2.929 17.857 -3.198 1.00 24.15 H new ATOM 0 HG13 ILE A 52 4.328 16.821 -2.994 1.00 24.15 H new ATOM 0 HG21 ILE A 52 1.488 15.899 -3.600 1.00 31.52 H new ATOM 0 HG22 ILE A 52 1.874 14.748 -4.901 1.00 31.52 H new ATOM 0 HG23 ILE A 52 2.873 14.795 -3.429 1.00 31.52 H new ATOM 0 HD11 ILE A 52 5.004 19.116 -3.504 1.00 54.24 H new ATOM 0 HD12 ILE A 52 5.494 18.016 -4.814 1.00 54.24 H new ATOM 0 HD13 ILE A 52 4.073 19.068 -5.020 1.00 54.24 H new ATOM 770 N ASP A 53 3.903 16.536 -7.783 1.00 41.43 N ATOM 771 CA ASP A 53 4.151 17.303 -8.999 1.00 5.34 C ATOM 772 C ASP A 53 4.439 18.765 -8.670 1.00 24.24 C ATOM 773 O ASP A 53 4.123 19.257 -7.586 1.00 63.40 O ATOM 774 CB ASP A 53 2.952 17.207 -9.942 1.00 74.11 C ATOM 775 CG ASP A 53 1.633 17.142 -9.197 1.00 31.30 C ATOM 776 OD1 ASP A 53 1.505 17.822 -8.158 1.00 12.01 O ATOM 777 OD2 ASP A 53 0.729 16.410 -9.652 1.00 61.44 O ATOM 0 H ASP A 53 3.054 15.971 -7.807 1.00 41.43 H new ATOM 0 HA ASP A 53 5.026 16.881 -9.493 1.00 5.34 H new ATOM 0 HB2 ASP A 53 2.947 18.070 -10.608 1.00 74.11 H new ATOM 0 HB3 ASP A 53 3.056 16.321 -10.568 1.00 74.11 H new ATOM 782 N PRO A 54 5.055 19.477 -9.625 1.00 72.34 N ATOM 783 CA PRO A 54 5.400 20.892 -9.460 1.00 74.12 C ATOM 784 C PRO A 54 4.168 21.791 -9.447 1.00 30.24 C ATOM 785 O PRO A 54 4.235 22.946 -9.026 1.00 63.21 O ATOM 786 CB PRO A 54 6.267 21.191 -10.686 1.00 15.13 C ATOM 787 CG PRO A 54 5.838 20.194 -11.706 1.00 35.21 C ATOM 788 CD PRO A 54 5.461 18.955 -10.941 1.00 51.12 C ATOM 0 HA PRO A 54 5.900 21.082 -8.510 1.00 74.12 H new ATOM 0 HB2 PRO A 54 6.114 22.210 -11.040 1.00 15.13 H new ATOM 0 HB3 PRO A 54 7.327 21.090 -10.455 1.00 15.13 H new ATOM 0 HG2 PRO A 54 4.993 20.567 -12.285 1.00 35.21 H new ATOM 0 HG3 PRO A 54 6.642 19.987 -12.412 1.00 35.21 H new ATOM 0 HD2 PRO A 54 4.649 18.414 -11.427 1.00 51.12 H new ATOM 0 HD3 PRO A 54 6.299 18.263 -10.858 1.00 51.12 H new ATOM 796 N SER A 55 3.044 21.253 -9.909 1.00 14.41 N ATOM 797 CA SER A 55 1.797 22.009 -9.953 1.00 30.32 C ATOM 798 C SER A 55 1.192 22.139 -8.558 1.00 54.45 C ATOM 799 O SER A 55 0.409 23.052 -8.293 1.00 72.40 O ATOM 800 CB SER A 55 0.798 21.331 -10.893 1.00 44.33 C ATOM 801 OG SER A 55 -0.536 21.641 -10.529 1.00 63.14 O ATOM 0 H SER A 55 2.971 20.297 -10.258 1.00 14.41 H new ATOM 0 HA SER A 55 2.019 23.008 -10.329 1.00 30.32 H new ATOM 0 HB2 SER A 55 0.983 21.652 -11.918 1.00 44.33 H new ATOM 0 HB3 SER A 55 0.944 20.251 -10.866 1.00 44.33 H new ATOM 0 HG SER A 55 -1.155 21.197 -11.146 1.00 63.14 H new ATOM 807 N TRP A 56 1.560 21.221 -7.672 1.00 51.44 N ATOM 808 CA TRP A 56 1.054 21.233 -6.305 1.00 14.14 C ATOM 809 C TRP A 56 2.130 21.698 -5.330 1.00 32.13 C ATOM 810 O TRP A 56 1.827 22.141 -4.221 1.00 62.54 O ATOM 811 CB TRP A 56 0.558 19.841 -5.911 1.00 31.34 C ATOM 812 CG TRP A 56 -0.781 19.500 -6.492 1.00 1.20 C ATOM 813 CD1 TRP A 56 -1.293 19.936 -7.681 1.00 20.13 C ATOM 814 CD2 TRP A 56 -1.778 18.654 -5.909 1.00 51.22 C ATOM 815 NE1 TRP A 56 -2.549 19.412 -7.872 1.00 24.31 N ATOM 816 CE2 TRP A 56 -2.869 18.621 -6.800 1.00 1.40 C ATOM 817 CE3 TRP A 56 -1.855 17.920 -4.723 1.00 31.41 C ATOM 818 CZ2 TRP A 56 -4.021 17.884 -6.539 1.00 3.00 C ATOM 819 CZ3 TRP A 56 -2.999 17.189 -4.465 1.00 71.42 C ATOM 820 CH2 TRP A 56 -4.069 17.174 -5.370 1.00 10.30 C ATOM 0 H TRP A 56 2.207 20.459 -7.876 1.00 51.44 H new ATOM 0 HA TRP A 56 0.221 21.934 -6.258 1.00 14.14 H new ATOM 0 HB2 TRP A 56 1.287 19.098 -6.236 1.00 31.34 H new ATOM 0 HB3 TRP A 56 0.501 19.778 -4.824 1.00 31.34 H new ATOM 0 HD1 TRP A 56 -0.786 20.595 -8.370 1.00 20.13 H new ATOM 0 HE1 TRP A 56 -3.146 19.584 -8.681 1.00 24.31 H new ATOM 0 HE3 TRP A 56 -1.035 17.924 -4.020 1.00 31.41 H new ATOM 0 HZ2 TRP A 56 -4.847 17.873 -7.234 1.00 3.00 H new ATOM 0 HZ3 TRP A 56 -3.070 16.619 -3.550 1.00 71.42 H new ATOM 0 HH2 TRP A 56 -4.949 16.591 -5.140 1.00 10.30 H new ATOM 831 N TYR A 57 3.386 21.595 -5.749 1.00 31.10 N ATOM 832 CA TYR A 57 4.507 22.003 -4.911 1.00 42.01 C ATOM 833 C TYR A 57 4.356 23.455 -4.469 1.00 4.34 C ATOM 834 O TYR A 57 4.554 23.783 -3.299 1.00 1.25 O ATOM 835 CB TYR A 57 5.826 21.822 -5.664 1.00 42.12 C ATOM 836 CG TYR A 57 7.031 22.330 -4.906 1.00 3.44 C ATOM 837 CD1 TYR A 57 7.242 21.976 -3.579 1.00 21.01 C ATOM 838 CD2 TYR A 57 7.960 23.165 -5.516 1.00 71.52 C ATOM 839 CE1 TYR A 57 8.341 22.439 -2.882 1.00 23.21 C ATOM 840 CE2 TYR A 57 9.063 23.631 -4.827 1.00 72.14 C ATOM 841 CZ TYR A 57 9.249 23.266 -3.510 1.00 71.34 C ATOM 842 OH TYR A 57 10.346 23.728 -2.820 1.00 31.40 O ATOM 0 H TYR A 57 3.654 21.232 -6.664 1.00 31.10 H new ATOM 0 HA TYR A 57 4.513 21.371 -4.023 1.00 42.01 H new ATOM 0 HB2 TYR A 57 5.966 20.764 -5.885 1.00 42.12 H new ATOM 0 HB3 TYR A 57 5.763 22.342 -6.620 1.00 42.12 H new ATOM 0 HD1 TYR A 57 6.534 21.328 -3.084 1.00 21.01 H new ATOM 0 HD2 TYR A 57 7.817 23.454 -6.547 1.00 71.52 H new ATOM 0 HE1 TYR A 57 8.489 22.155 -1.851 1.00 23.21 H new ATOM 0 HE2 TYR A 57 9.776 24.278 -5.317 1.00 72.14 H new ATOM 0 HH TYR A 57 10.886 24.297 -3.407 1.00 31.40 H new ATOM 852 N ASP A 58 4.004 24.321 -5.413 1.00 22.22 N ATOM 853 CA ASP A 58 3.824 25.738 -5.122 1.00 4.41 C ATOM 854 C ASP A 58 2.597 25.962 -4.243 1.00 65.43 C ATOM 855 O ASP A 58 2.532 26.931 -3.487 1.00 53.20 O ATOM 856 CB ASP A 58 3.688 26.534 -6.421 1.00 42.20 C ATOM 857 CG ASP A 58 3.807 28.029 -6.199 1.00 40.23 C ATOM 858 OD1 ASP A 58 2.965 28.590 -5.467 1.00 33.53 O ATOM 859 OD2 ASP A 58 4.743 28.639 -6.758 1.00 33.14 O ATOM 0 H ASP A 58 3.838 24.066 -6.387 1.00 22.22 H new ATOM 0 HA ASP A 58 4.704 26.087 -4.581 1.00 4.41 H new ATOM 0 HB2 ASP A 58 4.457 26.212 -7.123 1.00 42.20 H new ATOM 0 HB3 ASP A 58 2.724 26.313 -6.880 1.00 42.20 H new ATOM 864 N ILE A 59 1.628 25.059 -4.349 1.00 41.14 N ATOM 865 CA ILE A 59 0.404 25.158 -3.564 1.00 72.15 C ATOM 866 C ILE A 59 0.647 24.754 -2.114 1.00 54.31 C ATOM 867 O ILE A 59 0.272 25.473 -1.187 1.00 72.33 O ATOM 868 CB ILE A 59 -0.714 24.275 -4.151 1.00 43.20 C ATOM 869 CG1 ILE A 59 -1.048 24.718 -5.577 1.00 13.53 C ATOM 870 CG2 ILE A 59 -1.952 24.332 -3.269 1.00 3.05 C ATOM 871 CD1 ILE A 59 -1.939 23.746 -6.318 1.00 50.54 C ATOM 0 H ILE A 59 1.667 24.251 -4.970 1.00 41.14 H new ATOM 0 HA ILE A 59 0.089 26.201 -3.600 1.00 72.15 H new ATOM 0 HB ILE A 59 -0.363 23.244 -4.184 1.00 43.20 H new ATOM 0 HG12 ILE A 59 -1.537 25.692 -5.541 1.00 13.53 H new ATOM 0 HG13 ILE A 59 -0.121 24.847 -6.135 1.00 13.53 H new ATOM 0 HG21 ILE A 59 -2.733 23.703 -3.697 1.00 3.05 H new ATOM 0 HG22 ILE A 59 -1.704 23.973 -2.270 1.00 3.05 H new ATOM 0 HG23 ILE A 59 -2.308 25.360 -3.207 1.00 3.05 H new ATOM 0 HD11 ILE A 59 -2.135 24.124 -7.321 1.00 50.54 H new ATOM 0 HD12 ILE A 59 -1.444 22.777 -6.385 1.00 50.54 H new ATOM 0 HD13 ILE A 59 -2.882 23.635 -5.782 1.00 50.54 H new ATOM 883 N VAL A 60 1.278 23.600 -1.925 1.00 2.05 N ATOM 884 CA VAL A 60 1.574 23.101 -0.587 1.00 4.41 C ATOM 885 C VAL A 60 2.577 24.002 0.126 1.00 63.33 C ATOM 886 O VAL A 60 2.621 24.047 1.354 1.00 1.25 O ATOM 887 CB VAL A 60 2.132 21.666 -0.634 1.00 10.45 C ATOM 888 CG1 VAL A 60 1.088 20.705 -1.180 1.00 53.14 C ATOM 889 CG2 VAL A 60 3.403 21.616 -1.467 1.00 44.12 C ATOM 0 H VAL A 60 1.594 22.993 -2.681 1.00 2.05 H new ATOM 0 HA VAL A 60 0.634 23.099 -0.034 1.00 4.41 H new ATOM 0 HB VAL A 60 2.379 21.357 0.382 1.00 10.45 H new ATOM 0 HG11 VAL A 60 1.500 19.696 -1.206 1.00 53.14 H new ATOM 0 HG12 VAL A 60 0.208 20.721 -0.538 1.00 53.14 H new ATOM 0 HG13 VAL A 60 0.807 21.008 -2.189 1.00 53.14 H new ATOM 0 HG21 VAL A 60 3.783 20.595 -1.489 1.00 44.12 H new ATOM 0 HG22 VAL A 60 3.185 21.944 -2.483 1.00 44.12 H new ATOM 0 HG23 VAL A 60 4.153 22.273 -1.026 1.00 44.12 H new ATOM 899 N GLU A 61 3.381 24.717 -0.655 1.00 42.00 N ATOM 900 CA GLU A 61 4.384 25.616 -0.098 1.00 4.54 C ATOM 901 C GLU A 61 3.743 26.912 0.390 1.00 54.55 C ATOM 902 O GLU A 61 4.203 27.519 1.357 1.00 75.24 O ATOM 903 CB GLU A 61 5.459 25.928 -1.141 1.00 60.44 C ATOM 904 CG GLU A 61 6.417 27.029 -0.719 1.00 61.32 C ATOM 905 CD GLU A 61 7.580 27.189 -1.678 1.00 44.45 C ATOM 906 OE1 GLU A 61 7.453 26.759 -2.844 1.00 23.55 O ATOM 907 OE2 GLU A 61 8.618 27.747 -1.263 1.00 62.34 O ATOM 0 H GLU A 61 3.357 24.691 -1.674 1.00 42.00 H new ATOM 0 HA GLU A 61 4.848 25.117 0.753 1.00 4.54 H new ATOM 0 HB2 GLU A 61 6.029 25.021 -1.345 1.00 60.44 H new ATOM 0 HB3 GLU A 61 4.975 26.217 -2.074 1.00 60.44 H new ATOM 0 HG2 GLU A 61 5.874 27.972 -0.652 1.00 61.32 H new ATOM 0 HG3 GLU A 61 6.800 26.810 0.278 1.00 61.32 H new ATOM 914 N GLN A 62 2.678 27.330 -0.288 1.00 44.14 N ATOM 915 CA GLN A 62 1.974 28.554 0.074 1.00 4.43 C ATOM 916 C GLN A 62 0.872 28.268 1.089 1.00 4.30 C ATOM 917 O GLN A 62 0.501 29.137 1.879 1.00 21.12 O ATOM 918 CB GLN A 62 1.379 29.213 -1.171 1.00 52.31 C ATOM 919 CG GLN A 62 0.229 28.430 -1.783 1.00 34.22 C ATOM 920 CD GLN A 62 -0.476 29.194 -2.887 1.00 21.44 C ATOM 921 OE1 GLN A 62 -1.384 29.984 -2.628 1.00 72.15 O ATOM 922 NE2 GLN A 62 -0.060 28.961 -4.126 1.00 41.51 N ATOM 0 H GLN A 62 2.284 26.839 -1.091 1.00 44.14 H new ATOM 0 HA GLN A 62 2.693 29.236 0.528 1.00 4.43 H new ATOM 0 HB2 GLN A 62 1.030 30.212 -0.911 1.00 52.31 H new ATOM 0 HB3 GLN A 62 2.164 29.334 -1.918 1.00 52.31 H new ATOM 0 HG2 GLN A 62 0.607 27.489 -2.182 1.00 34.22 H new ATOM 0 HG3 GLN A 62 -0.490 28.179 -1.003 1.00 34.22 H new ATOM 0 HE21 GLN A 62 0.696 28.297 -4.294 1.00 41.51 H new ATOM 0 HE22 GLN A 62 -0.497 29.446 -4.910 1.00 41.51 H new ATOM 931 N HIS A 63 0.352 27.045 1.062 1.00 44.32 N ATOM 932 CA HIS A 63 -0.708 26.645 1.980 1.00 63.41 C ATOM 933 C HIS A 63 -0.145 26.360 3.369 1.00 65.20 C ATOM 934 O HIS A 63 -0.855 26.456 4.369 1.00 42.22 O ATOM 935 CB HIS A 63 -1.432 25.408 1.447 1.00 13.03 C ATOM 936 CG HIS A 63 -2.625 25.015 2.263 1.00 54.21 C ATOM 937 ND1 HIS A 63 -3.912 25.401 1.950 1.00 45.34 N ATOM 938 CD2 HIS A 63 -2.722 24.264 3.385 1.00 54.40 C ATOM 939 CE1 HIS A 63 -4.748 24.907 2.845 1.00 62.44 C ATOM 940 NE2 HIS A 63 -4.051 24.212 3.726 1.00 15.24 N ATOM 0 H HIS A 63 0.647 26.314 0.415 1.00 44.32 H new ATOM 0 HA HIS A 63 -1.418 27.468 2.057 1.00 63.41 H new ATOM 0 HB2 HIS A 63 -1.750 25.597 0.421 1.00 13.03 H new ATOM 0 HB3 HIS A 63 -0.732 24.573 1.416 1.00 13.03 H new ATOM 0 HD2 HIS A 63 -1.906 23.793 3.913 1.00 54.40 H new ATOM 0 HE1 HIS A 63 -5.819 25.047 2.855 1.00 62.44 H new ATOM 0 HE2 HIS A 63 -4.438 23.717 4.530 1.00 15.24 H new ATOM 948 N ASN A 64 1.136 26.008 3.422 1.00 20.04 N ATOM 949 CA ASN A 64 1.794 25.708 4.689 1.00 60.22 C ATOM 950 C ASN A 64 2.898 26.719 4.981 1.00 2.23 C ATOM 951 O ASN A 64 3.862 26.836 4.225 1.00 21.24 O ATOM 952 CB ASN A 64 2.377 24.293 4.662 1.00 53.30 C ATOM 953 CG ASN A 64 1.375 23.247 5.109 1.00 34.43 C ATOM 954 OD1 ASN A 64 0.182 23.349 4.819 1.00 24.25 O ATOM 955 ND2 ASN A 64 1.855 22.233 5.820 1.00 63.02 N ATOM 0 H ASN A 64 1.738 25.924 2.603 1.00 20.04 H new ATOM 0 HA ASN A 64 1.048 25.772 5.481 1.00 60.22 H new ATOM 0 HB2 ASN A 64 2.714 24.061 3.652 1.00 53.30 H new ATOM 0 HB3 ASN A 64 3.254 24.252 5.308 1.00 53.30 H new ATOM 0 HD21 ASN A 64 1.228 21.499 6.149 1.00 63.02 H new ATOM 0 HD22 ASN A 64 2.851 22.189 6.037 1.00 63.02 H new ATOM 962 N GLU A 65 2.750 27.447 6.084 1.00 54.34 N ATOM 963 CA GLU A 65 3.734 28.449 6.475 1.00 24.34 C ATOM 964 C GLU A 65 5.117 27.821 6.628 1.00 1.41 C ATOM 965 O GLU A 65 5.241 26.630 6.912 1.00 65.31 O ATOM 966 CB GLU A 65 3.319 29.119 7.786 1.00 11.35 C ATOM 967 CG GLU A 65 3.422 28.206 8.997 1.00 41.15 C ATOM 968 CD GLU A 65 2.646 28.729 10.190 1.00 74.44 C ATOM 969 OE1 GLU A 65 1.399 28.746 10.125 1.00 13.23 O ATOM 970 OE2 GLU A 65 3.286 29.120 11.188 1.00 32.11 O ATOM 0 H GLU A 65 1.959 27.361 6.722 1.00 54.34 H new ATOM 0 HA GLU A 65 3.780 29.203 5.689 1.00 24.34 H new ATOM 0 HB2 GLU A 65 3.944 29.997 7.949 1.00 11.35 H new ATOM 0 HB3 GLU A 65 2.292 29.472 7.694 1.00 11.35 H new ATOM 0 HG2 GLU A 65 3.051 27.216 8.733 1.00 41.15 H new ATOM 0 HG3 GLU A 65 4.470 28.091 9.272 1.00 41.15 H new ATOM 977 N ILE A 66 6.152 28.632 6.437 1.00 4.13 N ATOM 978 CA ILE A 66 7.525 28.157 6.554 1.00 5.31 C ATOM 979 C ILE A 66 8.309 28.984 7.568 1.00 53.41 C ATOM 980 O ILE A 66 8.151 30.203 7.645 1.00 62.22 O ATOM 981 CB ILE A 66 8.254 28.203 5.198 1.00 4.32 C ATOM 982 CG1 ILE A 66 7.674 29.314 4.320 1.00 24.01 C ATOM 983 CG2 ILE A 66 8.152 26.858 4.496 1.00 60.40 C ATOM 984 CD1 ILE A 66 7.903 30.703 4.874 1.00 53.14 C ATOM 0 H ILE A 66 6.066 29.621 6.201 1.00 4.13 H new ATOM 0 HA ILE A 66 7.473 27.123 6.895 1.00 5.31 H new ATOM 0 HB ILE A 66 9.308 28.419 5.376 1.00 4.32 H new ATOM 0 HG12 ILE A 66 8.118 29.250 3.327 1.00 24.01 H new ATOM 0 HG13 ILE A 66 6.603 29.151 4.202 1.00 24.01 H new ATOM 0 HG21 ILE A 66 8.672 26.907 3.539 1.00 60.40 H new ATOM 0 HG22 ILE A 66 8.608 26.087 5.118 1.00 60.40 H new ATOM 0 HG23 ILE A 66 7.103 26.614 4.327 1.00 60.40 H new ATOM 0 HD11 ILE A 66 7.466 31.440 4.200 1.00 53.14 H new ATOM 0 HD12 ILE A 66 7.435 30.785 5.855 1.00 53.14 H new ATOM 0 HD13 ILE A 66 8.974 30.886 4.966 1.00 53.14 H new ATOM 996 N SER A 67 9.155 28.314 8.343 1.00 32.23 N ATOM 997 CA SER A 67 9.962 28.986 9.354 1.00 1.34 C ATOM 998 C SER A 67 11.213 29.599 8.732 1.00 61.43 C ATOM 999 O SER A 67 11.616 29.228 7.629 1.00 53.42 O ATOM 1000 CB SER A 67 10.357 28.004 10.459 1.00 71.24 C ATOM 1001 OG SER A 67 9.271 27.162 10.805 1.00 54.22 O ATOM 0 H SER A 67 9.299 27.306 8.290 1.00 32.23 H new ATOM 0 HA SER A 67 9.363 29.787 9.787 1.00 1.34 H new ATOM 0 HB2 SER A 67 11.200 27.398 10.127 1.00 71.24 H new ATOM 0 HB3 SER A 67 10.688 28.556 11.339 1.00 71.24 H new ATOM 0 HG SER A 67 9.549 26.543 11.512 1.00 54.22 H new ATOM 1007 N ASP A 68 11.823 30.537 9.447 1.00 41.43 N ATOM 1008 CA ASP A 68 13.029 31.202 8.966 1.00 22.42 C ATOM 1009 C ASP A 68 14.100 30.181 8.594 1.00 70.12 C ATOM 1010 O ASP A 68 14.875 30.393 7.662 1.00 4.34 O ATOM 1011 CB ASP A 68 13.568 32.159 10.030 1.00 10.31 C ATOM 1012 CG ASP A 68 13.540 31.555 11.420 1.00 13.54 C ATOM 1013 OD1 ASP A 68 14.463 30.781 11.750 1.00 14.12 O ATOM 1014 OD2 ASP A 68 12.595 31.858 12.179 1.00 62.20 O ATOM 0 H ASP A 68 11.503 30.855 10.362 1.00 41.43 H new ATOM 0 HA ASP A 68 12.769 31.772 8.074 1.00 22.42 H new ATOM 0 HB2 ASP A 68 14.591 32.438 9.779 1.00 10.31 H new ATOM 0 HB3 ASP A 68 12.977 33.075 10.023 1.00 10.31 H new ATOM 1019 N GLU A 69 14.136 29.074 9.329 1.00 62.32 N ATOM 1020 CA GLU A 69 15.114 28.022 9.076 1.00 74.50 C ATOM 1021 C GLU A 69 14.654 27.114 7.938 1.00 4.40 C ATOM 1022 O GLU A 69 15.468 26.620 7.158 1.00 0.24 O ATOM 1023 CB GLU A 69 15.343 27.193 10.342 1.00 43.40 C ATOM 1024 CG GLU A 69 14.137 26.368 10.757 1.00 53.41 C ATOM 1025 CD GLU A 69 14.380 25.577 12.027 1.00 22.12 C ATOM 1026 OE1 GLU A 69 15.469 24.980 12.155 1.00 22.24 O ATOM 1027 OE2 GLU A 69 13.481 25.555 12.893 1.00 13.25 O ATOM 0 H GLU A 69 13.500 28.882 10.103 1.00 62.32 H new ATOM 0 HA GLU A 69 16.052 28.495 8.785 1.00 74.50 H new ATOM 0 HB2 GLU A 69 16.190 26.526 10.181 1.00 43.40 H new ATOM 0 HB3 GLU A 69 15.614 27.861 11.159 1.00 43.40 H new ATOM 0 HG2 GLU A 69 13.282 27.029 10.903 1.00 53.41 H new ATOM 0 HG3 GLU A 69 13.876 25.682 9.951 1.00 53.41 H new ATOM 1034 N GLU A 70 13.345 26.901 7.851 1.00 62.41 N ATOM 1035 CA GLU A 70 12.778 26.052 6.810 1.00 61.15 C ATOM 1036 C GLU A 70 12.907 26.712 5.440 1.00 63.23 C ATOM 1037 O GLU A 70 13.520 26.158 4.528 1.00 43.31 O ATOM 1038 CB GLU A 70 11.307 25.754 7.108 1.00 41.51 C ATOM 1039 CG GLU A 70 10.846 24.398 6.602 1.00 53.10 C ATOM 1040 CD GLU A 70 11.104 23.285 7.599 1.00 61.13 C ATOM 1041 OE1 GLU A 70 10.248 23.068 8.482 1.00 62.35 O ATOM 1042 OE2 GLU A 70 12.163 22.631 7.495 1.00 21.22 O ATOM 0 H GLU A 70 12.658 27.304 8.488 1.00 62.41 H new ATOM 0 HA GLU A 70 13.335 25.115 6.797 1.00 61.15 H new ATOM 0 HB2 GLU A 70 11.146 25.805 8.185 1.00 41.51 H new ATOM 0 HB3 GLU A 70 10.689 26.530 6.656 1.00 41.51 H new ATOM 0 HG2 GLU A 70 9.780 24.441 6.379 1.00 53.10 H new ATOM 0 HG3 GLU A 70 11.358 24.170 5.667 1.00 53.10 H new ATOM 1049 N ASN A 71 12.324 27.898 5.304 1.00 42.34 N ATOM 1050 CA ASN A 71 12.373 28.634 4.045 1.00 34.02 C ATOM 1051 C ASN A 71 13.814 28.841 3.591 1.00 24.22 C ATOM 1052 O ASN A 71 14.086 28.984 2.399 1.00 61.31 O ATOM 1053 CB ASN A 71 11.674 29.987 4.194 1.00 31.02 C ATOM 1054 CG ASN A 71 11.554 30.724 2.874 1.00 12.03 C ATOM 1055 OD1 ASN A 71 10.747 30.360 2.019 1.00 52.33 O ATOM 1056 ND2 ASN A 71 12.359 31.766 2.703 1.00 10.14 N ATOM 0 H ASN A 71 11.812 28.370 6.049 1.00 42.34 H new ATOM 0 HA ASN A 71 11.854 28.045 3.289 1.00 34.02 H new ATOM 0 HB2 ASN A 71 10.680 29.835 4.614 1.00 31.02 H new ATOM 0 HB3 ASN A 71 12.228 30.603 4.902 1.00 31.02 H new ATOM 0 HD21 ASN A 71 12.324 32.301 1.835 1.00 10.14 H new ATOM 0 HD22 ASN A 71 13.013 32.032 3.440 1.00 10.14 H new ATOM 1063 N ASP A 72 14.734 28.855 4.549 1.00 23.05 N ATOM 1064 CA ASP A 72 16.149 29.042 4.249 1.00 51.52 C ATOM 1065 C ASP A 72 16.796 27.724 3.834 1.00 14.53 C ATOM 1066 O ASP A 72 17.786 27.711 3.104 1.00 21.31 O ATOM 1067 CB ASP A 72 16.877 29.623 5.462 1.00 44.23 C ATOM 1068 CG ASP A 72 18.383 29.476 5.358 1.00 13.10 C ATOM 1069 OD1 ASP A 72 18.948 29.876 4.319 1.00 61.05 O ATOM 1070 OD2 ASP A 72 18.996 28.962 6.317 1.00 74.24 O ATOM 0 H ASP A 72 14.525 28.739 5.541 1.00 23.05 H new ATOM 0 HA ASP A 72 16.229 29.742 3.418 1.00 51.52 H new ATOM 0 HB2 ASP A 72 16.624 30.678 5.563 1.00 44.23 H new ATOM 0 HB3 ASP A 72 16.528 29.124 6.366 1.00 44.23 H new ATOM 1075 N MET A 73 16.229 26.619 4.306 1.00 30.14 N ATOM 1076 CA MET A 73 16.751 25.296 3.984 1.00 32.24 C ATOM 1077 C MET A 73 16.827 25.094 2.474 1.00 11.13 C ATOM 1078 O MET A 73 17.644 24.315 1.982 1.00 30.32 O ATOM 1079 CB MET A 73 15.873 24.211 4.612 1.00 50.31 C ATOM 1080 CG MET A 73 16.538 22.845 4.664 1.00 42.54 C ATOM 1081 SD MET A 73 15.705 21.709 5.788 1.00 14.02 S ATOM 1082 CE MET A 73 16.806 20.298 5.721 1.00 34.11 C ATOM 0 H MET A 73 15.409 26.613 4.912 1.00 30.14 H new ATOM 0 HA MET A 73 17.758 25.221 4.394 1.00 32.24 H new ATOM 0 HB2 MET A 73 15.604 24.514 5.624 1.00 50.31 H new ATOM 0 HB3 MET A 73 14.945 24.133 4.045 1.00 50.31 H new ATOM 0 HG2 MET A 73 16.552 22.414 3.663 1.00 42.54 H new ATOM 0 HG3 MET A 73 17.576 22.962 4.976 1.00 42.54 H new ATOM 0 HE1 MET A 73 16.424 19.508 6.367 1.00 34.11 H new ATOM 0 HE2 MET A 73 16.866 19.931 4.696 1.00 34.11 H new ATOM 0 HE3 MET A 73 17.799 20.595 6.059 1.00 34.11 H new ATOM 1092 N LEU A 74 15.971 25.800 1.744 1.00 41.31 N ATOM 1093 CA LEU A 74 15.941 25.699 0.289 1.00 63.51 C ATOM 1094 C LEU A 74 17.320 25.969 -0.304 1.00 64.42 C ATOM 1095 O LEU A 74 17.796 25.222 -1.159 1.00 63.25 O ATOM 1096 CB LEU A 74 14.923 26.682 -0.290 1.00 40.31 C ATOM 1097 CG LEU A 74 14.796 26.698 -1.814 1.00 5.21 C ATOM 1098 CD1 LEU A 74 14.059 25.461 -2.301 1.00 74.12 C ATOM 1099 CD2 LEU A 74 14.086 27.962 -2.277 1.00 23.11 C ATOM 0 H LEU A 74 15.288 26.449 2.136 1.00 41.31 H new ATOM 0 HA LEU A 74 15.645 24.683 0.026 1.00 63.51 H new ATOM 0 HB2 LEU A 74 13.945 26.453 0.134 1.00 40.31 H new ATOM 0 HB3 LEU A 74 15.187 27.686 0.043 1.00 40.31 H new ATOM 0 HG LEU A 74 15.798 26.691 -2.243 1.00 5.21 H new ATOM 0 HD11 LEU A 74 13.978 25.490 -3.388 1.00 74.12 H new ATOM 0 HD12 LEU A 74 14.609 24.569 -2.002 1.00 74.12 H new ATOM 0 HD13 LEU A 74 13.061 25.436 -1.864 1.00 74.12 H new ATOM 0 HD21 LEU A 74 14.005 27.956 -3.364 1.00 23.11 H new ATOM 0 HD22 LEU A 74 13.089 28.001 -1.839 1.00 23.11 H new ATOM 0 HD23 LEU A 74 14.655 28.836 -1.960 1.00 23.11 H new ATOM 1111 N ASP A 75 17.958 27.039 0.157 1.00 33.01 N ATOM 1112 CA ASP A 75 19.284 27.406 -0.325 1.00 41.01 C ATOM 1113 C ASP A 75 20.264 26.249 -0.155 1.00 75.11 C ATOM 1114 O ASP A 75 21.248 26.142 -0.887 1.00 42.25 O ATOM 1115 CB ASP A 75 19.798 28.639 0.420 1.00 52.01 C ATOM 1116 CG ASP A 75 20.730 29.481 -0.428 1.00 43.25 C ATOM 1117 OD1 ASP A 75 20.368 29.787 -1.584 1.00 10.10 O ATOM 1118 OD2 ASP A 75 21.822 29.835 0.063 1.00 10.14 O ATOM 0 H ASP A 75 17.578 27.668 0.864 1.00 33.01 H new ATOM 0 HA ASP A 75 19.205 27.639 -1.387 1.00 41.01 H new ATOM 0 HB2 ASP A 75 18.951 29.247 0.737 1.00 52.01 H new ATOM 0 HB3 ASP A 75 20.320 28.323 1.323 1.00 52.01 H new ATOM 1123 N LEU A 76 19.988 25.385 0.816 1.00 52.13 N ATOM 1124 CA LEU A 76 20.845 24.235 1.083 1.00 1.52 C ATOM 1125 C LEU A 76 20.447 23.046 0.215 1.00 24.13 C ATOM 1126 O LEU A 76 21.271 22.183 -0.087 1.00 72.21 O ATOM 1127 CB LEU A 76 20.769 23.851 2.562 1.00 60.33 C ATOM 1128 CG LEU A 76 21.685 24.630 3.506 1.00 12.22 C ATOM 1129 CD1 LEU A 76 23.145 24.383 3.159 1.00 34.31 C ATOM 1130 CD2 LEU A 76 21.366 26.117 3.451 1.00 2.22 C ATOM 0 H LEU A 76 19.178 25.459 1.431 1.00 52.13 H new ATOM 0 HA LEU A 76 21.870 24.512 0.838 1.00 1.52 H new ATOM 0 HB2 LEU A 76 19.740 23.980 2.898 1.00 60.33 H new ATOM 0 HB3 LEU A 76 21.003 22.790 2.654 1.00 60.33 H new ATOM 0 HG LEU A 76 21.511 24.278 4.523 1.00 12.22 H new ATOM 0 HD11 LEU A 76 23.782 24.946 3.842 1.00 34.31 H new ATOM 0 HD12 LEU A 76 23.366 23.320 3.251 1.00 34.31 H new ATOM 0 HD13 LEU A 76 23.335 24.706 2.136 1.00 34.31 H new ATOM 0 HD21 LEU A 76 22.027 26.656 4.129 1.00 2.22 H new ATOM 0 HD22 LEU A 76 21.511 26.483 2.435 1.00 2.22 H new ATOM 0 HD23 LEU A 76 20.330 26.278 3.750 1.00 2.22 H new ATOM 1142 N ALA A 77 19.180 23.009 -0.184 1.00 23.42 N ATOM 1143 CA ALA A 77 18.674 21.928 -1.021 1.00 24.45 C ATOM 1144 C ALA A 77 19.552 21.730 -2.252 1.00 22.43 C ATOM 1145 O ALA A 77 19.604 22.587 -3.134 1.00 74.52 O ATOM 1146 CB ALA A 77 17.237 22.209 -1.434 1.00 64.42 C ATOM 0 H ALA A 77 18.485 23.715 0.059 1.00 23.42 H new ATOM 0 HA ALA A 77 18.699 21.007 -0.438 1.00 24.45 H new ATOM 0 HB1 ALA A 77 16.872 21.394 -2.059 1.00 64.42 H new ATOM 0 HB2 ALA A 77 16.612 22.292 -0.545 1.00 64.42 H new ATOM 0 HB3 ALA A 77 17.196 23.143 -1.995 1.00 64.42 H new ATOM 1152 N PHE A 78 20.242 20.595 -2.304 1.00 42.04 N ATOM 1153 CA PHE A 78 21.120 20.285 -3.427 1.00 53.41 C ATOM 1154 C PHE A 78 20.800 18.910 -4.004 1.00 74.34 C ATOM 1155 O PHE A 78 20.796 17.909 -3.288 1.00 43.33 O ATOM 1156 CB PHE A 78 22.584 20.338 -2.987 1.00 2.11 C ATOM 1157 CG PHE A 78 23.520 20.788 -4.072 1.00 25.42 C ATOM 1158 CD1 PHE A 78 23.364 22.027 -4.671 1.00 10.24 C ATOM 1159 CD2 PHE A 78 24.557 19.970 -4.493 1.00 51.23 C ATOM 1160 CE1 PHE A 78 24.224 22.444 -5.669 1.00 41.21 C ATOM 1161 CE2 PHE A 78 25.420 20.382 -5.491 1.00 23.11 C ATOM 1162 CZ PHE A 78 25.253 21.620 -6.080 1.00 70.23 C ATOM 0 H PHE A 78 20.210 19.875 -1.582 1.00 42.04 H new ATOM 0 HA PHE A 78 20.954 21.033 -4.203 1.00 53.41 H new ATOM 0 HB2 PHE A 78 22.675 21.013 -2.136 1.00 2.11 H new ATOM 0 HB3 PHE A 78 22.888 19.349 -2.643 1.00 2.11 H new ATOM 0 HD1 PHE A 78 22.560 22.675 -4.354 1.00 10.24 H new ATOM 0 HD2 PHE A 78 24.692 19.001 -4.036 1.00 51.23 H new ATOM 0 HE1 PHE A 78 24.092 23.413 -6.127 1.00 41.21 H new ATOM 0 HE2 PHE A 78 26.225 19.736 -5.810 1.00 23.11 H new ATOM 0 HZ PHE A 78 25.926 21.943 -6.861 1.00 70.23 H new ATOM 1172 N GLY A 79 20.530 18.868 -5.306 1.00 10.52 N ATOM 1173 CA GLY A 79 20.211 17.612 -5.958 1.00 24.21 C ATOM 1174 C GLY A 79 18.718 17.373 -6.058 1.00 70.30 C ATOM 1175 O GLY A 79 18.232 16.842 -7.058 1.00 1.31 O ATOM 0 H GLY A 79 20.527 19.682 -5.920 1.00 10.52 H new ATOM 0 HA2 GLY A 79 20.645 17.605 -6.958 1.00 24.21 H new ATOM 0 HA3 GLY A 79 20.671 16.793 -5.406 1.00 24.21 H new ATOM 1179 N LEU A 80 17.987 17.763 -5.019 1.00 62.25 N ATOM 1180 CA LEU A 80 16.539 17.587 -4.993 1.00 63.45 C ATOM 1181 C LEU A 80 15.891 18.223 -6.219 1.00 62.41 C ATOM 1182 O LEU A 80 16.453 19.131 -6.832 1.00 24.11 O ATOM 1183 CB LEU A 80 15.954 18.197 -3.719 1.00 23.14 C ATOM 1184 CG LEU A 80 14.547 17.736 -3.339 1.00 13.24 C ATOM 1185 CD1 LEU A 80 14.595 16.374 -2.663 1.00 51.43 C ATOM 1186 CD2 LEU A 80 13.877 18.759 -2.433 1.00 0.32 C ATOM 0 H LEU A 80 18.373 18.203 -4.184 1.00 62.25 H new ATOM 0 HA LEU A 80 16.328 16.518 -5.007 1.00 63.45 H new ATOM 0 HB2 LEU A 80 16.625 17.971 -2.890 1.00 23.14 H new ATOM 0 HB3 LEU A 80 15.941 19.281 -3.832 1.00 23.14 H new ATOM 0 HG LEU A 80 13.957 17.646 -4.251 1.00 13.24 H new ATOM 0 HD11 LEU A 80 13.584 16.063 -2.400 1.00 51.43 H new ATOM 0 HD12 LEU A 80 15.034 15.645 -3.344 1.00 51.43 H new ATOM 0 HD13 LEU A 80 15.202 16.437 -1.760 1.00 51.43 H new ATOM 0 HD21 LEU A 80 12.876 18.414 -2.173 1.00 0.32 H new ATOM 0 HD22 LEU A 80 14.466 18.882 -1.524 1.00 0.32 H new ATOM 0 HD23 LEU A 80 13.808 19.715 -2.952 1.00 0.32 H new ATOM 1198 N THR A 81 14.703 17.741 -6.571 1.00 61.21 N ATOM 1199 CA THR A 81 13.978 18.262 -7.722 1.00 55.35 C ATOM 1200 C THR A 81 13.168 19.499 -7.348 1.00 63.13 C ATOM 1201 O THR A 81 13.065 19.852 -6.174 1.00 15.53 O ATOM 1202 CB THR A 81 13.030 17.203 -8.316 1.00 70.03 C ATOM 1203 OG1 THR A 81 12.436 16.433 -7.265 1.00 52.03 O ATOM 1204 CG2 THR A 81 13.778 16.281 -9.267 1.00 74.43 C ATOM 0 H THR A 81 14.223 16.990 -6.075 1.00 61.21 H new ATOM 0 HA THR A 81 14.724 18.531 -8.469 1.00 55.35 H new ATOM 0 HB THR A 81 12.248 17.718 -8.874 1.00 70.03 H new ATOM 0 HG1 THR A 81 11.833 15.763 -7.651 1.00 52.03 H new ATOM 0 HG21 THR A 81 13.089 15.541 -9.674 1.00 74.43 H new ATOM 0 HG22 THR A 81 14.204 16.867 -10.081 1.00 74.43 H new ATOM 0 HG23 THR A 81 14.578 15.773 -8.728 1.00 74.43 H new ATOM 1212 N ASP A 82 12.596 20.152 -8.354 1.00 3.13 N ATOM 1213 CA ASP A 82 11.794 21.349 -8.130 1.00 0.14 C ATOM 1214 C ASP A 82 10.352 20.982 -7.792 1.00 25.23 C ATOM 1215 O ASP A 82 9.509 21.855 -7.587 1.00 11.41 O ATOM 1216 CB ASP A 82 11.828 22.250 -9.365 1.00 54.02 C ATOM 1217 CG ASP A 82 13.240 22.622 -9.772 1.00 72.35 C ATOM 1218 OD1 ASP A 82 13.825 23.518 -9.131 1.00 4.35 O ATOM 1219 OD2 ASP A 82 13.759 22.017 -10.734 1.00 21.41 O ATOM 0 H ASP A 82 12.673 19.873 -9.332 1.00 3.13 H new ATOM 0 HA ASP A 82 12.220 21.889 -7.284 1.00 0.14 H new ATOM 0 HB2 ASP A 82 11.336 21.743 -10.195 1.00 54.02 H new ATOM 0 HB3 ASP A 82 11.260 23.158 -9.164 1.00 54.02 H new ATOM 1224 N THR A 83 10.076 19.683 -7.736 1.00 34.33 N ATOM 1225 CA THR A 83 8.736 19.199 -7.425 1.00 42.31 C ATOM 1226 C THR A 83 8.662 18.664 -6.000 1.00 14.23 C ATOM 1227 O THR A 83 7.582 18.576 -5.415 1.00 72.14 O ATOM 1228 CB THR A 83 8.299 18.091 -8.401 1.00 74.20 C ATOM 1229 OG1 THR A 83 8.899 16.845 -8.029 1.00 3.41 O ATOM 1230 CG2 THR A 83 8.689 18.442 -9.829 1.00 24.42 C ATOM 0 H THR A 83 10.762 18.947 -7.902 1.00 34.33 H new ATOM 0 HA THR A 83 8.061 20.049 -7.526 1.00 42.31 H new ATOM 0 HB THR A 83 7.214 18.000 -8.350 1.00 74.20 H new ATOM 0 HG1 THR A 83 8.615 16.146 -8.654 1.00 3.41 H new ATOM 0 HG21 THR A 83 8.370 17.644 -10.500 1.00 24.42 H new ATOM 0 HG22 THR A 83 8.206 19.375 -10.119 1.00 24.42 H new ATOM 0 HG23 THR A 83 9.771 18.558 -9.893 1.00 24.42 H new ATOM 1238 N SER A 84 9.816 18.309 -5.445 1.00 30.13 N ATOM 1239 CA SER A 84 9.881 17.779 -4.088 1.00 13.24 C ATOM 1240 C SER A 84 9.889 18.910 -3.063 1.00 63.31 C ATOM 1241 O SER A 84 9.945 20.086 -3.421 1.00 52.22 O ATOM 1242 CB SER A 84 11.128 16.910 -3.916 1.00 0.34 C ATOM 1243 OG SER A 84 11.035 16.109 -2.750 1.00 51.43 O ATOM 0 H SER A 84 10.719 18.379 -5.914 1.00 30.13 H new ATOM 0 HA SER A 84 8.995 17.167 -3.921 1.00 13.24 H new ATOM 0 HB2 SER A 84 11.254 16.272 -4.790 1.00 0.34 H new ATOM 0 HB3 SER A 84 12.012 17.545 -3.855 1.00 0.34 H new ATOM 0 HG SER A 84 11.532 15.275 -2.886 1.00 51.43 H new ATOM 1249 N ARG A 85 9.834 18.543 -1.787 1.00 11.42 N ATOM 1250 CA ARG A 85 9.834 19.526 -0.709 1.00 71.44 C ATOM 1251 C ARG A 85 11.170 19.523 0.028 1.00 14.25 C ATOM 1252 O ARG A 85 11.987 18.619 -0.149 1.00 4.23 O ATOM 1253 CB ARG A 85 8.696 19.238 0.272 1.00 24.41 C ATOM 1254 CG ARG A 85 7.394 19.937 -0.082 1.00 44.13 C ATOM 1255 CD ARG A 85 6.252 19.472 0.807 1.00 71.53 C ATOM 1256 NE ARG A 85 5.346 20.564 1.151 1.00 2.12 N ATOM 1257 CZ ARG A 85 5.593 21.448 2.112 1.00 35.30 C ATOM 1258 NH1 ARG A 85 6.711 21.368 2.820 1.00 51.03 N ATOM 1259 NH2 ARG A 85 4.719 22.414 2.366 1.00 24.03 N ATOM 0 H ARG A 85 9.789 17.573 -1.474 1.00 11.42 H new ATOM 0 HA ARG A 85 9.684 20.512 -1.149 1.00 71.44 H new ATOM 0 HB2 ARG A 85 8.523 18.162 0.308 1.00 24.41 H new ATOM 0 HB3 ARG A 85 9.003 19.545 1.272 1.00 24.41 H new ATOM 0 HG2 ARG A 85 7.519 21.015 0.019 1.00 44.13 H new ATOM 0 HG3 ARG A 85 7.147 19.741 -1.125 1.00 44.13 H new ATOM 0 HD2 ARG A 85 5.695 18.685 0.299 1.00 71.53 H new ATOM 0 HD3 ARG A 85 6.658 19.037 1.720 1.00 71.53 H new ATOM 0 HE ARG A 85 4.476 20.653 0.625 1.00 2.12 H new ATOM 0 HH11 ARG A 85 7.384 20.626 2.628 1.00 51.03 H new ATOM 0 HH12 ARG A 85 6.898 22.048 3.557 1.00 51.03 H new ATOM 0 HH21 ARG A 85 3.858 22.478 1.824 1.00 24.03 H new ATOM 0 HH22 ARG A 85 4.909 23.092 3.104 1.00 24.03 H new ATOM 1273 N LEU A 86 11.384 20.540 0.856 1.00 44.35 N ATOM 1274 CA LEU A 86 12.621 20.656 1.621 1.00 41.35 C ATOM 1275 C LEU A 86 12.917 19.365 2.376 1.00 21.13 C ATOM 1276 O LEU A 86 12.004 18.647 2.781 1.00 54.11 O ATOM 1277 CB LEU A 86 12.529 21.826 2.602 1.00 32.44 C ATOM 1278 CG LEU A 86 12.210 23.191 1.992 1.00 33.12 C ATOM 1279 CD1 LEU A 86 11.854 24.192 3.080 1.00 33.14 C ATOM 1280 CD2 LEU A 86 13.385 23.694 1.166 1.00 33.42 C ATOM 0 H LEU A 86 10.717 21.296 1.015 1.00 44.35 H new ATOM 0 HA LEU A 86 13.436 20.840 0.922 1.00 41.35 H new ATOM 0 HB2 LEU A 86 11.764 21.594 3.342 1.00 32.44 H new ATOM 0 HB3 LEU A 86 13.476 21.902 3.136 1.00 32.44 H new ATOM 0 HG LEU A 86 11.349 23.080 1.333 1.00 33.12 H new ATOM 0 HD11 LEU A 86 11.630 25.158 2.627 1.00 33.14 H new ATOM 0 HD12 LEU A 86 10.982 23.838 3.629 1.00 33.14 H new ATOM 0 HD13 LEU A 86 12.695 24.299 3.765 1.00 33.14 H new ATOM 0 HD21 LEU A 86 13.140 24.667 0.739 1.00 33.42 H new ATOM 0 HD22 LEU A 86 14.264 23.788 1.804 1.00 33.42 H new ATOM 0 HD23 LEU A 86 13.594 22.988 0.362 1.00 33.42 H new ATOM 1292 N GLY A 87 14.201 19.077 2.565 1.00 24.41 N ATOM 1293 CA GLY A 87 14.595 17.873 3.274 1.00 70.01 C ATOM 1294 C GLY A 87 13.944 16.627 2.707 1.00 14.12 C ATOM 1295 O GLY A 87 12.942 16.145 3.239 1.00 44.53 O ATOM 0 H GLY A 87 14.976 19.656 2.240 1.00 24.41 H new ATOM 0 HA2 GLY A 87 15.679 17.766 3.228 1.00 70.01 H new ATOM 0 HA3 GLY A 87 14.329 17.971 4.326 1.00 70.01 H new ATOM 1299 N CYS A 88 14.511 16.105 1.625 1.00 14.14 N ATOM 1300 CA CYS A 88 13.977 14.908 0.984 1.00 11.52 C ATOM 1301 C CYS A 88 14.952 14.369 -0.058 1.00 14.33 C ATOM 1302 O CYS A 88 15.902 15.050 -0.443 1.00 33.02 O ATOM 1303 CB CYS A 88 12.629 15.214 0.330 1.00 71.45 C ATOM 1304 SG CYS A 88 11.489 13.810 0.298 1.00 43.25 S ATOM 0 H CYS A 88 15.340 16.491 1.173 1.00 14.14 H new ATOM 0 HA CYS A 88 13.836 14.146 1.751 1.00 11.52 H new ATOM 0 HB2 CYS A 88 12.157 16.039 0.863 1.00 71.45 H new ATOM 0 HB3 CYS A 88 12.801 15.552 -0.692 1.00 71.45 H new ATOM 0 HG CYS A 88 10.377 14.167 -0.272 1.00 43.25 H new ATOM 1310 N GLN A 89 14.710 13.142 -0.508 1.00 15.32 N ATOM 1311 CA GLN A 89 15.568 12.511 -1.503 1.00 52.23 C ATOM 1312 C GLN A 89 14.763 12.091 -2.728 1.00 74.23 C ATOM 1313 O GLN A 89 15.151 11.174 -3.453 1.00 53.35 O ATOM 1314 CB GLN A 89 16.275 11.296 -0.901 1.00 74.41 C ATOM 1315 CG GLN A 89 17.398 11.658 0.057 1.00 34.24 C ATOM 1316 CD GLN A 89 16.887 12.084 1.420 1.00 43.22 C ATOM 1317 OE1 GLN A 89 15.759 11.769 1.799 1.00 1.04 O ATOM 1318 NE2 GLN A 89 17.718 12.805 2.164 1.00 14.02 N ATOM 0 H GLN A 89 13.927 12.566 -0.199 1.00 15.32 H new ATOM 0 HA GLN A 89 16.316 13.240 -1.815 1.00 52.23 H new ATOM 0 HB2 GLN A 89 15.543 10.684 -0.374 1.00 74.41 H new ATOM 0 HB3 GLN A 89 16.680 10.685 -1.708 1.00 74.41 H new ATOM 0 HG2 GLN A 89 18.062 10.801 0.173 1.00 34.24 H new ATOM 0 HG3 GLN A 89 17.991 12.465 -0.373 1.00 34.24 H new ATOM 0 HE21 GLN A 89 18.644 13.043 1.809 1.00 14.02 H new ATOM 0 HE22 GLN A 89 17.430 13.121 3.090 1.00 14.02 H new ATOM 1327 N ILE A 90 13.640 12.766 -2.953 1.00 23.34 N ATOM 1328 CA ILE A 90 12.781 12.462 -4.090 1.00 42.14 C ATOM 1329 C ILE A 90 12.439 10.977 -4.140 1.00 64.22 C ATOM 1330 O ILE A 90 12.885 10.257 -5.034 1.00 71.14 O ATOM 1331 CB ILE A 90 13.443 12.870 -5.420 1.00 12.00 C ATOM 1332 CG1 ILE A 90 14.373 14.066 -5.206 1.00 62.21 C ATOM 1333 CG2 ILE A 90 12.382 13.196 -6.461 1.00 5.50 C ATOM 1334 CD1 ILE A 90 15.030 14.555 -6.478 1.00 3.13 C ATOM 0 H ILE A 90 13.304 13.527 -2.362 1.00 23.34 H new ATOM 0 HA ILE A 90 11.866 13.038 -3.957 1.00 42.14 H new ATOM 0 HB ILE A 90 14.038 12.033 -5.785 1.00 12.00 H new ATOM 0 HG12 ILE A 90 13.804 14.883 -4.763 1.00 62.21 H new ATOM 0 HG13 ILE A 90 15.147 13.791 -4.489 1.00 62.21 H new ATOM 0 HG21 ILE A 90 12.865 13.483 -7.395 1.00 5.50 H new ATOM 0 HG22 ILE A 90 11.756 12.319 -6.630 1.00 5.50 H new ATOM 0 HG23 ILE A 90 11.764 14.020 -6.105 1.00 5.50 H new ATOM 0 HD11 ILE A 90 15.675 15.404 -6.251 1.00 3.13 H new ATOM 0 HD12 ILE A 90 15.626 13.752 -6.912 1.00 3.13 H new ATOM 0 HD13 ILE A 90 14.263 14.862 -7.189 1.00 3.13 H new ATOM 1346 N ILE A 91 11.645 10.526 -3.175 1.00 61.55 N ATOM 1347 CA ILE A 91 11.241 9.127 -3.111 1.00 70.53 C ATOM 1348 C ILE A 91 9.723 8.991 -3.148 1.00 34.40 C ATOM 1349 O ILE A 91 9.039 9.274 -2.163 1.00 52.35 O ATOM 1350 CB ILE A 91 11.776 8.444 -1.838 1.00 74.03 C ATOM 1351 CG1 ILE A 91 11.614 9.370 -0.631 1.00 21.32 C ATOM 1352 CG2 ILE A 91 13.234 8.052 -2.020 1.00 61.45 C ATOM 1353 CD1 ILE A 91 12.093 8.759 0.667 1.00 22.33 C ATOM 0 H ILE A 91 11.269 11.109 -2.427 1.00 61.55 H new ATOM 0 HA ILE A 91 11.669 8.635 -3.984 1.00 70.53 H new ATOM 0 HB ILE A 91 11.197 7.538 -1.658 1.00 74.03 H new ATOM 0 HG12 ILE A 91 12.165 10.292 -0.814 1.00 21.32 H new ATOM 0 HG13 ILE A 91 10.563 9.641 -0.530 1.00 21.32 H new ATOM 0 HG21 ILE A 91 13.597 7.571 -1.112 1.00 61.45 H new ATOM 0 HG22 ILE A 91 13.323 7.360 -2.858 1.00 61.45 H new ATOM 0 HG23 ILE A 91 13.828 8.944 -2.221 1.00 61.45 H new ATOM 0 HD11 ILE A 91 11.948 9.471 1.480 1.00 22.33 H new ATOM 0 HD12 ILE A 91 11.525 7.852 0.874 1.00 22.33 H new ATOM 0 HD13 ILE A 91 13.152 8.513 0.585 1.00 22.33 H new ATOM 1365 N LEU A 92 9.201 8.554 -4.289 1.00 32.52 N ATOM 1366 CA LEU A 92 7.762 8.377 -4.454 1.00 41.42 C ATOM 1367 C LEU A 92 7.170 7.602 -3.282 1.00 1.14 C ATOM 1368 O LEU A 92 7.896 6.987 -2.500 1.00 33.24 O ATOM 1369 CB LEU A 92 7.465 7.647 -5.765 1.00 42.21 C ATOM 1370 CG LEU A 92 8.313 6.407 -6.049 1.00 71.34 C ATOM 1371 CD1 LEU A 92 7.763 5.202 -5.302 1.00 22.13 C ATOM 1372 CD2 LEU A 92 8.368 6.129 -7.545 1.00 14.44 C ATOM 0 H LEU A 92 9.752 8.316 -5.113 1.00 32.52 H new ATOM 0 HA LEU A 92 7.301 9.364 -4.482 1.00 41.42 H new ATOM 0 HB2 LEU A 92 6.416 7.353 -5.764 1.00 42.21 H new ATOM 0 HB3 LEU A 92 7.598 8.350 -6.587 1.00 42.21 H new ATOM 0 HG LEU A 92 9.327 6.596 -5.697 1.00 71.34 H new ATOM 0 HD11 LEU A 92 8.379 4.329 -5.516 1.00 22.13 H new ATOM 0 HD12 LEU A 92 7.776 5.401 -4.230 1.00 22.13 H new ATOM 0 HD13 LEU A 92 6.739 5.011 -5.623 1.00 22.13 H new ATOM 0 HD21 LEU A 92 8.976 5.243 -7.728 1.00 14.44 H new ATOM 0 HD22 LEU A 92 7.359 5.961 -7.921 1.00 14.44 H new ATOM 0 HD23 LEU A 92 8.809 6.984 -8.058 1.00 14.44 H new ATOM 1384 N THR A 93 5.846 7.634 -3.166 1.00 30.11 N ATOM 1385 CA THR A 93 5.156 6.934 -2.090 1.00 72.20 C ATOM 1386 C THR A 93 3.712 6.627 -2.471 1.00 61.32 C ATOM 1387 O THR A 93 3.167 7.214 -3.406 1.00 65.34 O ATOM 1388 CB THR A 93 5.167 7.755 -0.787 1.00 42.31 C ATOM 1389 OG1 THR A 93 4.120 7.310 0.082 1.00 54.21 O ATOM 1390 CG2 THR A 93 4.994 9.238 -1.081 1.00 31.14 C ATOM 0 H THR A 93 5.230 8.138 -3.804 1.00 30.11 H new ATOM 0 HA THR A 93 5.693 6.000 -1.926 1.00 72.20 H new ATOM 0 HB THR A 93 6.130 7.607 -0.299 1.00 42.31 H new ATOM 0 HG1 THR A 93 4.007 7.952 0.814 1.00 54.21 H new ATOM 0 HG21 THR A 93 5.005 9.798 -0.146 1.00 31.14 H new ATOM 0 HG22 THR A 93 5.809 9.580 -1.718 1.00 31.14 H new ATOM 0 HG23 THR A 93 4.044 9.400 -1.590 1.00 31.14 H new ATOM 1398 N LYS A 94 3.096 5.703 -1.741 1.00 11.51 N ATOM 1399 CA LYS A 94 1.714 5.319 -2.000 1.00 74.15 C ATOM 1400 C LYS A 94 0.781 6.519 -1.868 1.00 20.40 C ATOM 1401 O LYS A 94 -0.351 6.491 -2.348 1.00 54.34 O ATOM 1402 CB LYS A 94 1.280 4.214 -1.035 1.00 22.51 C ATOM 1403 CG LYS A 94 -0.199 4.251 -0.692 1.00 1.12 C ATOM 1404 CD LYS A 94 -0.645 2.970 -0.006 1.00 51.54 C ATOM 1405 CE LYS A 94 -1.787 3.227 0.965 1.00 23.04 C ATOM 1406 NZ LYS A 94 -1.916 2.135 1.970 1.00 51.13 N ATOM 0 H LYS A 94 3.533 5.206 -0.965 1.00 11.51 H new ATOM 0 HA LYS A 94 1.653 4.945 -3.022 1.00 74.15 H new ATOM 0 HB2 LYS A 94 1.518 3.245 -1.475 1.00 22.51 H new ATOM 0 HB3 LYS A 94 1.860 4.298 -0.116 1.00 22.51 H new ATOM 0 HG2 LYS A 94 -0.401 5.102 -0.042 1.00 1.12 H new ATOM 0 HG3 LYS A 94 -0.781 4.399 -1.602 1.00 1.12 H new ATOM 0 HD2 LYS A 94 -0.960 2.245 -0.756 1.00 51.54 H new ATOM 0 HD3 LYS A 94 0.197 2.530 0.529 1.00 51.54 H new ATOM 0 HE2 LYS A 94 -1.622 4.175 1.477 1.00 23.04 H new ATOM 0 HE3 LYS A 94 -2.721 3.323 0.411 1.00 23.04 H new ATOM 0 HZ1 LYS A 94 -2.705 2.347 2.614 1.00 51.13 H new ATOM 0 HZ2 LYS A 94 -2.099 1.235 1.483 1.00 51.13 H new ATOM 0 HZ3 LYS A 94 -1.034 2.060 2.516 1.00 51.13 H new ATOM 1420 N GLU A 95 1.266 7.570 -1.215 1.00 12.13 N ATOM 1421 CA GLU A 95 0.474 8.779 -1.021 1.00 4.34 C ATOM 1422 C GLU A 95 -0.050 9.306 -2.353 1.00 41.23 C ATOM 1423 O GLU A 95 -1.065 10.002 -2.403 1.00 33.31 O ATOM 1424 CB GLU A 95 1.310 9.857 -0.327 1.00 65.11 C ATOM 1425 CG GLU A 95 1.234 9.805 1.190 1.00 74.35 C ATOM 1426 CD GLU A 95 2.031 8.656 1.775 1.00 65.21 C ATOM 1427 OE1 GLU A 95 1.470 7.548 1.905 1.00 13.34 O ATOM 1428 OE2 GLU A 95 3.219 8.865 2.102 1.00 35.23 O ATOM 0 H GLU A 95 2.202 7.609 -0.812 1.00 12.13 H new ATOM 0 HA GLU A 95 -0.378 8.527 -0.389 1.00 4.34 H new ATOM 0 HB2 GLU A 95 2.351 9.751 -0.634 1.00 65.11 H new ATOM 0 HB3 GLU A 95 0.976 10.838 -0.666 1.00 65.11 H new ATOM 0 HG2 GLU A 95 1.603 10.745 1.601 1.00 74.35 H new ATOM 0 HG3 GLU A 95 0.192 9.712 1.495 1.00 74.35 H new ATOM 1435 N LEU A 96 0.650 8.970 -3.432 1.00 14.54 N ATOM 1436 CA LEU A 96 0.256 9.409 -4.766 1.00 41.41 C ATOM 1437 C LEU A 96 -0.521 8.316 -5.492 1.00 32.01 C ATOM 1438 O LEU A 96 -0.623 8.323 -6.719 1.00 14.23 O ATOM 1439 CB LEU A 96 1.491 9.800 -5.581 1.00 34.24 C ATOM 1440 CG LEU A 96 2.394 10.867 -4.961 1.00 74.01 C ATOM 1441 CD1 LEU A 96 3.362 10.238 -3.972 1.00 22.12 C ATOM 1442 CD2 LEU A 96 3.150 11.620 -6.045 1.00 42.44 C ATOM 0 H LEU A 96 1.492 8.395 -3.409 1.00 14.54 H new ATOM 0 HA LEU A 96 -0.392 10.279 -4.659 1.00 41.41 H new ATOM 0 HB2 LEU A 96 2.087 8.904 -5.753 1.00 34.24 H new ATOM 0 HB3 LEU A 96 1.160 10.155 -6.557 1.00 34.24 H new ATOM 0 HG LEU A 96 1.768 11.578 -4.422 1.00 74.01 H new ATOM 0 HD11 LEU A 96 3.996 11.013 -3.541 1.00 22.12 H new ATOM 0 HD12 LEU A 96 2.802 9.745 -3.178 1.00 22.12 H new ATOM 0 HD13 LEU A 96 3.983 9.505 -4.487 1.00 22.12 H new ATOM 0 HD21 LEU A 96 3.788 12.375 -5.586 1.00 42.44 H new ATOM 0 HD22 LEU A 96 3.765 10.921 -6.612 1.00 42.44 H new ATOM 0 HD23 LEU A 96 2.439 12.104 -6.715 1.00 42.44 H new ATOM 1454 N ASP A 97 -1.069 7.379 -4.726 1.00 1.01 N ATOM 1455 CA ASP A 97 -1.840 6.280 -5.295 1.00 54.35 C ATOM 1456 C ASP A 97 -3.058 6.805 -6.049 1.00 54.12 C ATOM 1457 O ASP A 97 -3.949 7.417 -5.461 1.00 41.00 O ATOM 1458 CB ASP A 97 -2.283 5.315 -4.195 1.00 12.45 C ATOM 1459 CG ASP A 97 -3.407 4.402 -4.643 1.00 12.13 C ATOM 1460 OD1 ASP A 97 -3.241 3.720 -5.675 1.00 62.21 O ATOM 1461 OD2 ASP A 97 -4.454 4.370 -3.962 1.00 2.43 O ATOM 0 H ASP A 97 -0.993 7.359 -3.709 1.00 1.01 H new ATOM 0 HA ASP A 97 -1.201 5.747 -5.999 1.00 54.35 H new ATOM 0 HB2 ASP A 97 -1.432 4.711 -3.881 1.00 12.45 H new ATOM 0 HB3 ASP A 97 -2.607 5.885 -3.325 1.00 12.45 H new ATOM 1466 N GLY A 98 -3.090 6.562 -7.356 1.00 64.21 N ATOM 1467 CA GLY A 98 -4.202 7.018 -8.169 1.00 62.42 C ATOM 1468 C GLY A 98 -4.068 8.473 -8.571 1.00 13.23 C ATOM 1469 O GLY A 98 -4.900 9.000 -9.310 1.00 75.15 O ATOM 0 H GLY A 98 -2.365 6.057 -7.866 1.00 64.21 H new ATOM 0 HA2 GLY A 98 -4.270 6.401 -9.065 1.00 62.42 H new ATOM 0 HA3 GLY A 98 -5.132 6.881 -7.617 1.00 62.42 H new ATOM 1473 N LEU A 99 -3.020 9.126 -8.082 1.00 0.24 N ATOM 1474 CA LEU A 99 -2.781 10.531 -8.392 1.00 43.35 C ATOM 1475 C LEU A 99 -1.766 10.674 -9.523 1.00 32.14 C ATOM 1476 O LEU A 99 -0.912 9.808 -9.717 1.00 34.35 O ATOM 1477 CB LEU A 99 -2.284 11.272 -7.149 1.00 60.45 C ATOM 1478 CG LEU A 99 -3.365 11.863 -6.244 1.00 3.21 C ATOM 1479 CD1 LEU A 99 -2.757 12.357 -4.940 1.00 73.20 C ATOM 1480 CD2 LEU A 99 -4.097 12.992 -6.955 1.00 3.44 C ATOM 0 H LEU A 99 -2.322 8.705 -7.469 1.00 0.24 H new ATOM 0 HA LEU A 99 -3.724 10.971 -8.716 1.00 43.35 H new ATOM 0 HB2 LEU A 99 -1.679 10.584 -6.558 1.00 60.45 H new ATOM 0 HB3 LEU A 99 -1.626 12.079 -7.470 1.00 60.45 H new ATOM 0 HG LEU A 99 -4.086 11.079 -6.011 1.00 3.21 H new ATOM 0 HD11 LEU A 99 -3.541 12.774 -4.308 1.00 73.20 H new ATOM 0 HD12 LEU A 99 -2.279 11.525 -4.423 1.00 73.20 H new ATOM 0 HD13 LEU A 99 -2.015 13.126 -5.153 1.00 73.20 H new ATOM 0 HD21 LEU A 99 -4.863 13.401 -6.296 1.00 3.44 H new ATOM 0 HD22 LEU A 99 -3.388 13.777 -7.218 1.00 3.44 H new ATOM 0 HD23 LEU A 99 -4.565 12.608 -7.861 1.00 3.44 H new ATOM 1492 N CYS A 100 -1.864 11.772 -10.263 1.00 74.05 N ATOM 1493 CA CYS A 100 -0.954 12.029 -11.374 1.00 12.11 C ATOM 1494 C CYS A 100 0.104 13.056 -10.983 1.00 20.40 C ATOM 1495 O CYS A 100 -0.218 14.142 -10.502 1.00 3.03 O ATOM 1496 CB CYS A 100 -1.732 12.521 -12.595 1.00 74.32 C ATOM 1497 SG CYS A 100 -2.726 14.000 -12.291 1.00 13.13 S ATOM 0 H CYS A 100 -2.564 12.499 -10.114 1.00 74.05 H new ATOM 0 HA CYS A 100 -0.453 11.094 -11.624 1.00 12.11 H new ATOM 0 HB2 CYS A 100 -1.028 12.729 -13.401 1.00 74.32 H new ATOM 0 HB3 CYS A 100 -2.387 11.721 -12.942 1.00 74.32 H new ATOM 0 HG CYS A 100 -2.138 14.743 -11.401 1.00 13.13 H new ATOM 1503 N VAL A 101 1.369 12.703 -11.192 1.00 14.13 N ATOM 1504 CA VAL A 101 2.475 13.593 -10.861 1.00 10.23 C ATOM 1505 C VAL A 101 3.603 13.470 -11.879 1.00 11.00 C ATOM 1506 O VAL A 101 3.626 12.539 -12.685 1.00 50.41 O ATOM 1507 CB VAL A 101 3.032 13.298 -9.456 1.00 21.44 C ATOM 1508 CG1 VAL A 101 1.932 13.407 -8.411 1.00 0.32 C ATOM 1509 CG2 VAL A 101 3.679 11.921 -9.418 1.00 50.21 C ATOM 0 H VAL A 101 1.653 11.807 -11.589 1.00 14.13 H new ATOM 0 HA VAL A 101 2.080 14.609 -10.881 1.00 10.23 H new ATOM 0 HB VAL A 101 3.796 14.041 -9.224 1.00 21.44 H new ATOM 0 HG11 VAL A 101 2.345 13.195 -7.425 1.00 0.32 H new ATOM 0 HG12 VAL A 101 1.518 14.415 -8.422 1.00 0.32 H new ATOM 0 HG13 VAL A 101 1.144 12.689 -8.636 1.00 0.32 H new ATOM 0 HG21 VAL A 101 4.067 11.729 -8.418 1.00 50.21 H new ATOM 0 HG22 VAL A 101 2.937 11.163 -9.671 1.00 50.21 H new ATOM 0 HG23 VAL A 101 4.496 11.883 -10.138 1.00 50.21 H new ATOM 1519 N ILE A 102 4.537 14.414 -11.836 1.00 52.11 N ATOM 1520 CA ILE A 102 5.669 14.410 -12.754 1.00 50.22 C ATOM 1521 C ILE A 102 6.805 13.544 -12.222 1.00 62.41 C ATOM 1522 O ILE A 102 7.048 13.491 -11.016 1.00 4.33 O ATOM 1523 CB ILE A 102 6.198 15.835 -13.002 1.00 11.32 C ATOM 1524 CG1 ILE A 102 5.093 16.719 -13.585 1.00 63.44 C ATOM 1525 CG2 ILE A 102 7.402 15.799 -13.932 1.00 14.45 C ATOM 1526 CD1 ILE A 102 4.566 16.227 -14.915 1.00 34.30 C ATOM 0 H ILE A 102 4.532 15.191 -11.175 1.00 52.11 H new ATOM 0 HA ILE A 102 5.310 13.996 -13.696 1.00 50.22 H new ATOM 0 HB ILE A 102 6.513 16.261 -12.049 1.00 11.32 H new ATOM 0 HG12 ILE A 102 4.269 16.773 -12.874 1.00 63.44 H new ATOM 0 HG13 ILE A 102 5.476 17.732 -13.707 1.00 63.44 H new ATOM 0 HG21 ILE A 102 7.764 16.814 -14.098 1.00 14.45 H new ATOM 0 HG22 ILE A 102 8.193 15.200 -13.480 1.00 14.45 H new ATOM 0 HG23 ILE A 102 7.112 15.357 -14.885 1.00 14.45 H new ATOM 0 HD11 ILE A 102 3.786 16.901 -15.269 1.00 34.30 H new ATOM 0 HD12 ILE A 102 5.379 16.200 -15.641 1.00 34.30 H new ATOM 0 HD13 ILE A 102 4.153 15.225 -14.795 1.00 34.30 H new ATOM 1538 N LEU A 103 7.500 12.866 -13.129 1.00 73.14 N ATOM 1539 CA LEU A 103 8.613 12.002 -12.752 1.00 40.02 C ATOM 1540 C LEU A 103 9.735 12.810 -12.108 1.00 30.22 C ATOM 1541 O LEU A 103 9.917 13.996 -12.384 1.00 31.22 O ATOM 1542 CB LEU A 103 9.144 11.257 -13.978 1.00 45.31 C ATOM 1543 CG LEU A 103 8.091 10.632 -14.893 1.00 14.41 C ATOM 1544 CD1 LEU A 103 7.840 11.520 -16.102 1.00 71.44 C ATOM 1545 CD2 LEU A 103 8.522 9.240 -15.331 1.00 1.34 C ATOM 0 H LEU A 103 7.312 12.898 -14.131 1.00 73.14 H new ATOM 0 HA LEU A 103 8.248 11.277 -12.024 1.00 40.02 H new ATOM 0 HB2 LEU A 103 9.743 11.950 -14.568 1.00 45.31 H new ATOM 0 HB3 LEU A 103 9.814 10.468 -13.636 1.00 45.31 H new ATOM 0 HG LEU A 103 7.159 10.542 -14.334 1.00 14.41 H new ATOM 0 HD11 LEU A 103 7.088 11.059 -16.742 1.00 71.44 H new ATOM 0 HD12 LEU A 103 7.485 12.496 -15.770 1.00 71.44 H new ATOM 0 HD13 LEU A 103 8.767 11.643 -16.662 1.00 71.44 H new ATOM 0 HD21 LEU A 103 7.760 8.811 -15.982 1.00 1.34 H new ATOM 0 HD22 LEU A 103 9.466 9.305 -15.872 1.00 1.34 H new ATOM 0 HD23 LEU A 103 8.649 8.606 -14.454 1.00 1.34 H new ATOM 1557 N PRO A 104 10.508 12.154 -11.230 1.00 32.35 N ATOM 1558 CA PRO A 104 11.627 12.791 -10.530 1.00 24.22 C ATOM 1559 C PRO A 104 12.790 13.108 -11.464 1.00 53.52 C ATOM 1560 O PRO A 104 13.350 14.204 -11.425 1.00 43.32 O ATOM 1561 CB PRO A 104 12.043 11.741 -9.497 1.00 25.24 C ATOM 1562 CG PRO A 104 11.603 10.442 -10.078 1.00 34.12 C ATOM 1563 CD PRO A 104 10.349 10.739 -10.852 1.00 55.24 C ATOM 0 HA PRO A 104 11.343 13.749 -10.094 1.00 24.22 H new ATOM 0 HB2 PRO A 104 13.120 11.755 -9.330 1.00 25.24 H new ATOM 0 HB3 PRO A 104 11.568 11.924 -8.533 1.00 25.24 H new ATOM 0 HG2 PRO A 104 12.373 10.024 -10.727 1.00 34.12 H new ATOM 0 HG3 PRO A 104 11.414 9.708 -9.295 1.00 34.12 H new ATOM 0 HD2 PRO A 104 10.256 10.097 -11.728 1.00 55.24 H new ATOM 0 HD3 PRO A 104 9.456 10.583 -10.246 1.00 55.24 H new ATOM 1571 N THR A 105 13.148 12.143 -12.305 1.00 51.13 N ATOM 1572 CA THR A 105 14.244 12.320 -13.249 1.00 70.25 C ATOM 1573 C THR A 105 14.019 11.498 -14.514 1.00 15.43 C ATOM 1574 O THR A 105 12.991 10.837 -14.659 1.00 64.32 O ATOM 1575 CB THR A 105 15.594 11.919 -12.625 1.00 13.44 C ATOM 1576 OG1 THR A 105 15.523 10.580 -12.123 1.00 64.14 O ATOM 1577 CG2 THR A 105 15.971 12.869 -11.498 1.00 22.25 C ATOM 0 H THR A 105 12.695 11.231 -12.352 1.00 51.13 H new ATOM 0 HA THR A 105 14.271 13.379 -13.506 1.00 70.25 H new ATOM 0 HB THR A 105 16.359 11.976 -13.399 1.00 13.44 H new ATOM 0 HG1 THR A 105 16.386 10.332 -11.730 1.00 64.14 H new ATOM 0 HG21 THR A 105 16.928 12.567 -11.072 1.00 22.25 H new ATOM 0 HG22 THR A 105 16.052 13.883 -11.889 1.00 22.25 H new ATOM 0 HG23 THR A 105 15.204 12.839 -10.724 1.00 22.25 H new ATOM 1585 N GLU A 106 14.985 11.545 -15.425 1.00 5.42 N ATOM 1586 CA GLU A 106 14.891 10.805 -16.677 1.00 73.51 C ATOM 1587 C GLU A 106 14.569 9.336 -16.417 1.00 63.53 C ATOM 1588 O GLU A 106 15.137 8.713 -15.519 1.00 60.33 O ATOM 1589 CB GLU A 106 16.198 10.920 -17.464 1.00 53.52 C ATOM 1590 CG GLU A 106 17.352 10.150 -16.845 1.00 13.54 C ATOM 1591 CD GLU A 106 18.688 10.497 -17.472 1.00 71.33 C ATOM 1592 OE1 GLU A 106 18.916 11.691 -17.760 1.00 30.51 O ATOM 1593 OE2 GLU A 106 19.505 9.575 -17.676 1.00 70.22 O ATOM 0 H GLU A 106 15.842 12.088 -15.319 1.00 5.42 H new ATOM 0 HA GLU A 106 14.082 11.239 -17.265 1.00 73.51 H new ATOM 0 HB2 GLU A 106 16.034 10.558 -18.479 1.00 53.52 H new ATOM 0 HB3 GLU A 106 16.474 11.972 -17.541 1.00 53.52 H new ATOM 0 HG2 GLU A 106 17.391 10.359 -15.776 1.00 13.54 H new ATOM 0 HG3 GLU A 106 17.170 9.081 -16.954 1.00 13.54 H new