USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 497 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 31 MET CE :methyl -120:sc= -0.109 (180deg=-0.261) USER MOD Set 1.2: A 53 THR OG1 : rot 122:sc= -2.71! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -150:sc= 0 USER MOD Single : A 15 SER OG : rot -39:sc= 0.477 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 80:sc= -2.27 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= -0.0345 (180deg=-0.308) USER MOD Single : A 28 SER OG : rot -24:sc= 0.708 USER MOD Single : A 35 SER OG : rot 180:sc= -0.304 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HE2:sc= -0.134 K(o=-0.13,f=-0.71) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N PHE A 3 0.139 10.184 0.045 1.00 0.64 N ATOM 34 CA PHE A 3 -0.776 9.219 0.641 1.00 0.59 C ATOM 35 C PHE A 3 -1.095 9.592 2.087 1.00 0.50 C ATOM 36 O PHE A 3 -0.207 9.633 2.937 1.00 0.55 O ATOM 37 CB PHE A 3 -0.171 7.814 0.587 1.00 0.80 C ATOM 38 CG PHE A 3 0.262 7.402 -0.791 1.00 0.75 C ATOM 39 CD1 PHE A 3 1.412 7.929 -1.357 1.00 0.80 C ATOM 40 CD2 PHE A 3 -0.482 6.488 -1.521 1.00 1.47 C ATOM 41 CE1 PHE A 3 1.812 7.551 -2.626 1.00 1.39 C ATOM 42 CE2 PHE A 3 -0.086 6.108 -2.789 1.00 2.25 C ATOM 43 CZ PHE A 3 1.066 6.642 -3.341 1.00 2.18 C ATOM 0 HA PHE A 3 -1.703 9.232 0.068 1.00 0.59 H new ATOM 0 HB2 PHE A 3 0.687 7.770 1.257 1.00 0.80 H new ATOM 0 HB3 PHE A 3 -0.903 7.097 0.959 1.00 0.80 H new ATOM 0 HD1 PHE A 3 2.002 8.643 -0.801 1.00 0.80 H new ATOM 0 HD2 PHE A 3 -1.381 6.068 -1.094 1.00 1.47 H new ATOM 0 HE1 PHE A 3 2.710 7.969 -3.056 1.00 1.39 H new ATOM 0 HE2 PHE A 3 -0.674 5.396 -3.349 1.00 2.25 H new ATOM 0 HZ PHE A 3 1.379 6.346 -4.331 1.00 2.18 H new ATOM 52 N THR A 4 -2.368 9.865 2.354 1.00 0.53 N ATOM 53 CA THR A 4 -2.804 10.236 3.696 1.00 0.49 C ATOM 54 C THR A 4 -3.688 9.155 4.307 1.00 0.45 C ATOM 55 O THR A 4 -4.340 8.395 3.589 1.00 0.45 O ATOM 56 CB THR A 4 -3.577 11.567 3.686 1.00 0.57 C ATOM 57 OG1 THR A 4 -4.637 11.514 2.724 1.00 0.61 O ATOM 58 CG2 THR A 4 -2.648 12.727 3.363 1.00 0.66 C ATOM 0 H THR A 4 -3.115 9.836 1.660 1.00 0.53 H new ATOM 0 HA THR A 4 -1.904 10.350 4.300 1.00 0.49 H new ATOM 0 HB THR A 4 -3.999 11.724 4.679 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.124 12.365 2.726 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.215 13.658 3.361 1.00 0.66 H new ATOM 0 HG22 THR A 4 -1.861 12.783 4.115 1.00 0.66 H new ATOM 0 HG23 THR A 4 -2.201 12.573 2.381 1.00 0.66 H new ATOM 66 N PRO A 5 -3.723 9.071 5.648 1.00 0.47 N ATOM 67 CA PRO A 5 -4.534 8.076 6.355 1.00 0.51 C ATOM 68 C PRO A 5 -6.026 8.379 6.276 1.00 0.51 C ATOM 69 O PRO A 5 -6.576 9.070 7.133 1.00 0.65 O ATOM 70 CB PRO A 5 -4.042 8.180 7.798 1.00 0.62 C ATOM 71 CG PRO A 5 -3.542 9.576 7.925 1.00 0.58 C ATOM 72 CD PRO A 5 -2.974 9.938 6.580 1.00 0.53 C ATOM 0 HA PRO A 5 -4.425 7.081 5.924 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -4.846 7.981 8.506 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -3.253 7.456 8.001 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -4.348 10.255 8.204 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -2.781 9.649 8.702 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -3.121 10.994 6.353 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -1.902 9.748 6.532 1.00 0.53 H new ATOM 77 N ASP A 6 -6.673 7.859 5.239 1.00 0.74 N ATOM 78 CA ASP A 6 -8.103 8.066 5.040 1.00 0.84 C ATOM 79 C ASP A 6 -8.562 7.428 3.735 1.00 0.71 C ATOM 80 O ASP A 6 -9.659 6.874 3.655 1.00 0.67 O ATOM 81 CB ASP A 6 -8.433 9.560 5.035 1.00 1.07 C ATOM 82 CG ASP A 6 -9.899 9.825 4.752 1.00 2.06 C ATOM 83 OD1 ASP A 6 -10.265 9.927 3.562 1.00 2.51 O ATOM 84 OD2 ASP A 6 -10.682 9.928 5.720 1.00 2.69 O ATOM 0 H ASP A 6 -6.228 7.289 4.520 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.632 7.591 5.866 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -8.168 9.992 6.000 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -7.824 10.062 4.283 1.00 1.07 H new ATOM 88 N SER A 7 -7.715 7.509 2.715 1.00 0.77 N ATOM 89 CA SER A 7 -8.032 6.941 1.409 1.00 0.72 C ATOM 90 C SER A 7 -7.321 5.606 1.208 1.00 0.54 C ATOM 91 O SER A 7 -6.190 5.419 1.660 1.00 0.67 O ATOM 92 CB SER A 7 -7.635 7.914 0.297 1.00 0.96 C ATOM 93 OG SER A 7 -8.297 9.157 0.446 1.00 1.89 O ATOM 0 H SER A 7 -6.803 7.963 2.767 1.00 0.77 H new ATOM 0 HA SER A 7 -9.108 6.769 1.367 1.00 0.72 H new ATOM 0 HB2 SER A 7 -6.556 8.069 0.313 1.00 0.96 H new ATOM 0 HB3 SER A 7 -7.880 7.482 -0.673 1.00 0.96 H new ATOM 0 HG SER A 7 -8.025 9.761 -0.276 1.00 1.89 H new ATOM 98 N ALA A 8 -7.989 4.681 0.528 1.00 0.47 N ATOM 99 CA ALA A 8 -7.419 3.363 0.266 1.00 0.35 C ATOM 100 C ALA A 8 -6.412 3.422 -0.876 1.00 0.31 C ATOM 101 O ALA A 8 -6.340 4.416 -1.600 1.00 0.38 O ATOM 102 CB ALA A 8 -8.523 2.365 -0.048 1.00 0.44 C ATOM 0 H ALA A 8 -8.926 4.819 0.148 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.893 3.033 1.162 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -8.084 1.386 -0.241 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -9.204 2.296 0.801 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -9.073 2.696 -0.929 1.00 0.44 H new ATOM 108 N TRP A 9 -5.635 2.355 -1.037 1.00 0.30 N ATOM 109 CA TRP A 9 -4.633 2.300 -2.096 1.00 0.30 C ATOM 110 C TRP A 9 -4.376 0.863 -2.538 1.00 0.32 C ATOM 111 O TRP A 9 -4.907 -0.083 -1.956 1.00 0.39 O ATOM 112 CB TRP A 9 -3.327 2.940 -1.621 1.00 0.34 C ATOM 113 CG TRP A 9 -3.514 4.316 -1.058 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.549 4.663 0.262 1.00 0.40 C ATOM 115 CD2 TRP A 9 -3.692 5.530 -1.798 1.00 0.42 C ATOM 116 NE1 TRP A 9 -3.738 6.016 0.390 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.830 6.572 -0.860 1.00 0.42 C ATOM 118 CE3 TRP A 9 -3.751 5.839 -3.160 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -4.021 7.896 -1.242 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -3.939 7.155 -3.536 1.00 0.69 C ATOM 121 CH2 TRP A 9 -4.072 8.169 -2.581 1.00 0.66 C ATOM 0 H TRP A 9 -5.679 1.521 -0.451 1.00 0.30 H new ATOM 0 HA TRP A 9 -5.017 2.857 -2.951 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.873 2.303 -0.862 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.629 2.988 -2.457 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -3.443 3.973 1.086 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -3.800 6.525 1.272 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -3.651 5.063 -3.905 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -4.125 8.680 -0.507 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -3.984 7.406 -4.586 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -4.218 9.188 -2.908 1.00 0.66 H new ATOM 131 N LYS A 10 -3.557 0.707 -3.575 1.00 0.34 N ATOM 132 CA LYS A 10 -3.227 -0.614 -4.103 1.00 0.37 C ATOM 133 C LYS A 10 -1.715 -0.806 -4.190 1.00 0.34 C ATOM 134 O LYS A 10 -0.993 0.083 -4.641 1.00 0.34 O ATOM 135 CB LYS A 10 -3.860 -0.801 -5.484 1.00 0.43 C ATOM 136 CG LYS A 10 -5.378 -0.827 -5.458 1.00 1.01 C ATOM 137 CD LYS A 10 -5.959 -0.951 -6.857 1.00 1.03 C ATOM 138 CE LYS A 10 -5.455 -2.201 -7.561 1.00 1.28 C ATOM 139 NZ LYS A 10 -6.029 -2.339 -8.928 1.00 2.04 N ATOM 0 H LYS A 10 -3.109 1.480 -4.067 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.628 -1.364 -3.421 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -3.530 0.006 -6.138 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.496 -1.732 -5.918 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -5.718 -1.663 -4.847 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -5.750 0.083 -4.988 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -7.047 -0.979 -6.799 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -5.693 -0.070 -7.442 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -4.367 -2.167 -7.626 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -5.712 -3.079 -6.969 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -5.660 -3.203 -9.374 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -7.065 -2.397 -8.865 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -5.763 -1.513 -9.501 1.00 2.04 H new ATOM 149 N ILE A 11 -1.243 -1.972 -3.756 1.00 0.36 N ATOM 150 CA ILE A 11 0.182 -2.278 -3.785 1.00 0.36 C ATOM 151 C ILE A 11 0.660 -2.538 -5.211 1.00 0.32 C ATOM 152 O ILE A 11 0.029 -3.280 -5.962 1.00 0.38 O ATOM 153 CB ILE A 11 0.516 -3.504 -2.907 1.00 0.41 C ATOM 154 CG1 ILE A 11 0.103 -3.252 -1.458 1.00 0.48 C ATOM 155 CG2 ILE A 11 2.002 -3.836 -2.987 1.00 0.43 C ATOM 156 CD1 ILE A 11 0.383 -4.420 -0.536 1.00 0.56 C ATOM 0 H ILE A 11 -1.827 -2.719 -3.381 1.00 0.36 H new ATOM 0 HA ILE A 11 0.700 -1.406 -3.385 1.00 0.36 H new ATOM 0 HB ILE A 11 -0.046 -4.358 -3.285 1.00 0.41 H new ATOM 0 HG12 ILE A 11 0.629 -2.373 -1.087 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -0.962 -3.023 -1.427 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.215 -4.703 -2.361 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.270 -4.059 -4.020 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.585 -2.984 -2.637 1.00 0.43 H new ATOM 0 HD11 ILE A 11 0.064 -4.169 0.476 1.00 0.56 H new ATOM 0 HD12 ILE A 11 -0.165 -5.296 -0.882 1.00 0.56 H new ATOM 0 HD13 ILE A 11 1.451 -4.636 -0.537 1.00 0.56 H new ATOM 167 N THR A 12 1.779 -1.921 -5.572 1.00 0.28 N ATOM 168 CA THR A 12 2.352 -2.086 -6.903 1.00 0.27 C ATOM 169 C THR A 12 3.867 -2.250 -6.815 1.00 0.27 C ATOM 170 O THR A 12 4.618 -1.585 -7.525 1.00 0.30 O ATOM 171 CB THR A 12 2.022 -0.886 -7.811 1.00 0.30 C ATOM 172 OG1 THR A 12 0.625 -0.578 -7.725 1.00 0.91 O ATOM 173 CG2 THR A 12 2.386 -1.185 -9.258 1.00 0.97 C ATOM 0 H THR A 12 2.309 -1.300 -4.960 1.00 0.28 H new ATOM 0 HA THR A 12 1.911 -2.983 -7.338 1.00 0.27 H new ATOM 0 HB THR A 12 2.608 -0.032 -7.472 1.00 0.30 H new ATOM 0 HG1 THR A 12 0.322 -0.194 -8.574 1.00 0.91 H new ATOM 0 HG21 THR A 12 2.144 -0.323 -9.880 1.00 0.97 H new ATOM 0 HG22 THR A 12 3.453 -1.395 -9.329 1.00 0.97 H new ATOM 0 HG23 THR A 12 1.822 -2.051 -9.603 1.00 0.97 H new ATOM 181 N GLY A 13 4.303 -3.142 -5.933 1.00 0.29 N ATOM 182 CA GLY A 13 5.724 -3.382 -5.757 1.00 0.33 C ATOM 183 C GLY A 13 6.412 -3.787 -7.046 1.00 0.37 C ATOM 184 O GLY A 13 6.506 -4.974 -7.362 1.00 0.45 O ATOM 0 H GLY A 13 3.697 -3.704 -5.336 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.195 -2.480 -5.366 1.00 0.33 H new ATOM 0 HA3 GLY A 13 5.867 -4.165 -5.012 1.00 0.33 H new ATOM 188 N PHE A 14 6.894 -2.798 -7.793 1.00 0.34 N ATOM 189 CA PHE A 14 7.581 -3.058 -9.053 1.00 0.41 C ATOM 190 C PHE A 14 8.674 -2.024 -9.299 1.00 0.39 C ATOM 191 O PHE A 14 8.409 -0.937 -9.814 1.00 0.43 O ATOM 192 CB PHE A 14 6.583 -3.050 -10.213 1.00 0.50 C ATOM 193 CG PHE A 14 7.200 -3.397 -11.539 1.00 0.60 C ATOM 194 CD1 PHE A 14 7.767 -2.413 -12.333 1.00 0.69 C ATOM 195 CD2 PHE A 14 7.212 -4.707 -11.991 1.00 0.70 C ATOM 196 CE1 PHE A 14 8.335 -2.729 -13.553 1.00 0.79 C ATOM 197 CE2 PHE A 14 7.778 -5.029 -13.210 1.00 0.81 C ATOM 198 CZ PHE A 14 8.340 -4.040 -13.992 1.00 0.81 C ATOM 0 H PHE A 14 6.821 -1.811 -7.548 1.00 0.34 H new ATOM 0 HA PHE A 14 8.045 -4.042 -8.990 1.00 0.41 H new ATOM 0 HB2 PHE A 14 5.783 -3.758 -9.998 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.126 -2.063 -10.281 1.00 0.50 H new ATOM 0 HD1 PHE A 14 7.765 -1.387 -11.995 1.00 0.69 H new ATOM 0 HD2 PHE A 14 6.774 -5.485 -11.384 1.00 0.70 H new ATOM 0 HE1 PHE A 14 8.774 -1.953 -14.162 1.00 0.79 H new ATOM 0 HE2 PHE A 14 7.781 -6.054 -13.551 1.00 0.81 H new ATOM 0 HZ PHE A 14 8.783 -4.290 -14.945 1.00 0.81 H new ATOM 207 N SER A 15 9.904 -2.363 -8.924 1.00 0.40 N ATOM 208 CA SER A 15 11.035 -1.461 -9.109 1.00 0.41 C ATOM 209 C SER A 15 11.871 -1.876 -10.312 1.00 0.43 C ATOM 210 O SER A 15 11.799 -3.018 -10.767 1.00 0.48 O ATOM 211 CB SER A 15 11.909 -1.437 -7.853 1.00 0.39 C ATOM 212 OG SER A 15 11.135 -1.177 -6.695 1.00 0.76 O ATOM 0 H SER A 15 10.142 -3.255 -8.491 1.00 0.40 H new ATOM 0 HA SER A 15 10.641 -0.461 -9.289 1.00 0.41 H new ATOM 0 HB2 SER A 15 12.421 -2.393 -7.744 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.680 -0.673 -7.958 1.00 0.39 H new ATOM 0 HG SER A 15 10.453 -0.504 -6.902 1.00 0.76 H new ATOM 217 N ARG A 16 12.664 -0.944 -10.823 1.00 0.57 N ATOM 218 CA ARG A 16 13.515 -1.214 -11.974 1.00 0.61 C ATOM 219 C ARG A 16 14.557 -2.287 -11.653 1.00 0.59 C ATOM 220 O ARG A 16 15.139 -2.882 -12.559 1.00 0.63 O ATOM 221 CB ARG A 16 14.209 0.071 -12.443 1.00 0.69 C ATOM 222 CG ARG A 16 15.368 0.513 -11.561 1.00 1.14 C ATOM 223 CD ARG A 16 14.914 0.819 -10.143 1.00 1.37 C ATOM 224 NE ARG A 16 13.896 1.865 -10.109 1.00 2.19 N ATOM 225 CZ ARG A 16 13.468 2.440 -8.990 1.00 2.67 C ATOM 226 NH1 ARG A 16 13.970 2.069 -7.819 1.00 2.41 N ATOM 227 NH2 ARG A 16 12.540 3.385 -9.039 1.00 3.58 N ATOM 0 H ARG A 16 12.736 0.006 -10.459 1.00 0.57 H new ATOM 0 HA ARG A 16 12.879 -1.586 -12.777 1.00 0.61 H new ATOM 0 HB2 ARG A 16 14.576 -0.078 -13.458 1.00 0.69 H new ATOM 0 HB3 ARG A 16 13.473 0.874 -12.485 1.00 0.69 H new ATOM 0 HG2 ARG A 16 16.127 -0.269 -11.539 1.00 1.14 H new ATOM 0 HG3 ARG A 16 15.836 1.398 -11.992 1.00 1.14 H new ATOM 0 HD2 ARG A 16 14.518 -0.088 -9.685 1.00 1.37 H new ATOM 0 HD3 ARG A 16 15.772 1.128 -9.546 1.00 1.37 H new ATOM 0 HE ARG A 16 13.491 2.172 -10.993 1.00 2.19 H new ATOM 0 HH11 ARG A 16 14.685 1.342 -7.778 1.00 2.41 H new ATOM 0 HH12 ARG A 16 13.641 2.511 -6.960 1.00 2.41 H new ATOM 0 HH21 ARG A 16 12.152 3.673 -9.937 1.00 3.58 H new ATOM 0 HH22 ARG A 16 12.214 3.824 -8.178 1.00 3.58 H new ATOM 238 N ASP A 17 14.785 -2.533 -10.364 1.00 0.58 N ATOM 239 CA ASP A 17 15.760 -3.535 -9.945 1.00 0.63 C ATOM 240 C ASP A 17 15.425 -4.096 -8.564 1.00 0.57 C ATOM 241 O ASP A 17 16.321 -4.431 -7.790 1.00 0.62 O ATOM 242 CB ASP A 17 17.165 -2.928 -9.931 1.00 0.77 C ATOM 243 CG ASP A 17 17.266 -1.716 -9.027 1.00 1.61 C ATOM 244 OD1 ASP A 17 17.447 -1.901 -7.805 1.00 1.86 O ATOM 245 OD2 ASP A 17 17.163 -0.582 -9.539 1.00 2.48 O ATOM 0 H ASP A 17 14.311 -2.055 -9.597 1.00 0.58 H new ATOM 0 HA ASP A 17 15.725 -4.355 -10.662 1.00 0.63 H new ATOM 0 HB2 ASP A 17 17.880 -3.683 -9.602 1.00 0.77 H new ATOM 0 HB3 ASP A 17 17.445 -2.644 -10.946 1.00 0.77 H new ATOM 249 N ILE A 18 14.134 -4.206 -8.263 1.00 0.51 N ATOM 250 CA ILE A 18 13.689 -4.731 -6.975 1.00 0.50 C ATOM 251 C ILE A 18 14.428 -6.019 -6.616 1.00 0.50 C ATOM 252 O ILE A 18 14.492 -6.950 -7.418 1.00 0.57 O ATOM 253 CB ILE A 18 12.174 -5.010 -6.969 1.00 0.48 C ATOM 254 CG1 ILE A 18 11.722 -5.462 -5.579 1.00 0.52 C ATOM 255 CG2 ILE A 18 11.825 -6.063 -8.012 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.245 -5.780 -5.498 1.00 0.56 C ATOM 0 H ILE A 18 13.378 -3.939 -8.893 1.00 0.51 H new ATOM 0 HA ILE A 18 13.914 -3.964 -6.233 1.00 0.50 H new ATOM 0 HB ILE A 18 11.649 -4.088 -7.220 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.292 -6.345 -5.290 1.00 0.52 H new ATOM 0 HG13 ILE A 18 11.957 -4.680 -4.857 1.00 0.52 H new ATOM 0 HG21 ILE A 18 10.751 -6.249 -7.996 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.117 -5.707 -9.000 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.357 -6.988 -7.788 1.00 0.47 H new ATOM 0 HD11 ILE A 18 9.995 -6.094 -4.484 1.00 0.56 H new ATOM 0 HD12 ILE A 18 9.667 -4.893 -5.756 1.00 0.56 H new ATOM 0 HD13 ILE A 18 10.007 -6.583 -6.195 1.00 0.56 H new ATOM 267 N SER A 19 14.982 -6.062 -5.408 1.00 0.57 N ATOM 268 CA SER A 19 15.712 -7.237 -4.945 1.00 0.59 C ATOM 269 C SER A 19 14.767 -8.239 -4.287 1.00 0.52 C ATOM 270 O SER A 19 13.693 -7.869 -3.814 1.00 0.50 O ATOM 271 CB SER A 19 16.810 -6.826 -3.959 1.00 0.70 C ATOM 272 OG SER A 19 16.269 -6.112 -2.862 1.00 1.50 O ATOM 0 H SER A 19 14.939 -5.298 -4.733 1.00 0.57 H new ATOM 0 HA SER A 19 16.172 -7.714 -5.810 1.00 0.59 H new ATOM 0 HB2 SER A 19 17.330 -7.713 -3.598 1.00 0.70 H new ATOM 0 HB3 SER A 19 17.549 -6.209 -4.470 1.00 0.70 H new ATOM 0 HG SER A 19 16.990 -5.863 -2.247 1.00 1.50 H new ATOM 277 N PRO A 20 15.157 -9.525 -4.248 1.00 0.54 N ATOM 278 CA PRO A 20 14.335 -10.579 -3.644 1.00 0.51 C ATOM 279 C PRO A 20 14.165 -10.396 -2.143 1.00 0.53 C ATOM 280 O PRO A 20 13.157 -10.806 -1.569 1.00 0.51 O ATOM 281 CB PRO A 20 15.112 -11.862 -3.938 1.00 0.55 C ATOM 282 CG PRO A 20 16.514 -11.419 -4.164 1.00 0.61 C ATOM 283 CD PRO A 20 16.423 -10.052 -4.784 1.00 0.61 C ATOM 0 HA PRO A 20 13.323 -10.578 -4.048 1.00 0.51 H new ATOM 0 HB2 PRO A 20 15.049 -12.562 -3.105 1.00 0.55 H new ATOM 0 HB3 PRO A 20 14.713 -12.373 -4.814 1.00 0.55 H new ATOM 0 HG2 PRO A 20 17.068 -11.386 -3.226 1.00 0.61 H new ATOM 0 HG3 PRO A 20 17.041 -12.111 -4.821 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.270 -9.426 -4.505 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.409 -10.103 -5.873 1.00 0.61 H new ATOM 288 N ALA A 21 15.156 -9.778 -1.506 1.00 0.58 N ATOM 289 CA ALA A 21 15.106 -9.541 -0.069 1.00 0.64 C ATOM 290 C ALA A 21 13.752 -8.966 0.338 1.00 0.62 C ATOM 291 O ALA A 21 13.123 -9.437 1.288 1.00 0.65 O ATOM 292 CB ALA A 21 16.230 -8.603 0.351 1.00 0.71 C ATOM 0 H ALA A 21 16.001 -9.434 -1.962 1.00 0.58 H new ATOM 0 HA ALA A 21 15.238 -10.495 0.441 1.00 0.64 H new ATOM 0 HB1 ALA A 21 16.181 -8.435 1.427 1.00 0.71 H new ATOM 0 HB2 ALA A 21 17.191 -9.050 0.097 1.00 0.71 H new ATOM 0 HB3 ALA A 21 16.124 -7.652 -0.170 1.00 0.71 H new ATOM 298 N TYR A 22 13.312 -7.946 -0.389 1.00 0.60 N ATOM 299 CA TYR A 22 12.030 -7.310 -0.119 1.00 0.61 C ATOM 300 C TYR A 22 10.901 -8.037 -0.845 1.00 0.54 C ATOM 301 O TYR A 22 9.851 -8.313 -0.266 1.00 0.57 O ATOM 302 CB TYR A 22 12.058 -5.841 -0.542 1.00 0.66 C ATOM 303 CG TYR A 22 10.777 -5.105 -0.231 1.00 0.90 C ATOM 304 CD1 TYR A 22 9.707 -5.129 -1.117 1.00 1.28 C ATOM 305 CD2 TYR A 22 10.635 -4.385 0.950 1.00 0.99 C ATOM 306 CE1 TYR A 22 8.532 -4.459 -0.834 1.00 1.72 C ATOM 307 CE2 TYR A 22 9.463 -3.713 1.239 1.00 1.34 C ATOM 308 CZ TYR A 22 8.415 -3.752 0.344 1.00 1.72 C ATOM 309 OH TYR A 22 7.246 -3.084 0.629 1.00 2.17 O ATOM 0 H TYR A 22 13.826 -7.541 -1.172 1.00 0.60 H new ATOM 0 HA TYR A 22 11.848 -7.365 0.954 1.00 0.61 H new ATOM 0 HB2 TYR A 22 12.887 -5.341 -0.040 1.00 0.66 H new ATOM 0 HB3 TYR A 22 12.252 -5.782 -1.613 1.00 0.66 H new ATOM 0 HD1 TYR A 22 9.795 -5.680 -2.042 1.00 1.28 H new ATOM 0 HD2 TYR A 22 11.454 -4.351 1.653 1.00 0.99 H new ATOM 0 HE1 TYR A 22 7.709 -4.489 -1.533 1.00 1.72 H new ATOM 0 HE2 TYR A 22 9.368 -3.160 2.162 1.00 1.34 H new ATOM 0 HH TYR A 22 6.582 -3.718 0.970 1.00 2.17 H new ATOM 318 N ARG A 23 11.128 -8.340 -2.120 1.00 0.48 N ATOM 319 CA ARG A 23 10.135 -9.033 -2.935 1.00 0.44 C ATOM 320 C ARG A 23 9.725 -10.352 -2.289 1.00 0.45 C ATOM 321 O ARG A 23 8.543 -10.589 -2.036 1.00 0.45 O ATOM 322 CB ARG A 23 10.689 -9.290 -4.337 1.00 0.45 C ATOM 323 CG ARG A 23 9.711 -9.998 -5.261 1.00 0.54 C ATOM 324 CD ARG A 23 8.503 -9.129 -5.571 1.00 0.53 C ATOM 325 NE ARG A 23 7.682 -9.699 -6.635 1.00 0.70 N ATOM 326 CZ ARG A 23 6.805 -8.997 -7.346 1.00 1.08 C ATOM 327 NH1 ARG A 23 6.628 -7.707 -7.097 1.00 1.57 N ATOM 328 NH2 ARG A 23 6.104 -9.585 -8.304 1.00 1.47 N ATOM 0 H ARG A 23 11.993 -8.116 -2.612 1.00 0.48 H new ATOM 0 HA ARG A 23 9.253 -8.397 -3.009 1.00 0.44 H new ATOM 0 HB2 ARG A 23 10.974 -8.338 -4.785 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.596 -9.889 -4.255 1.00 0.45 H new ATOM 0 HG2 ARG A 23 10.215 -10.265 -6.190 1.00 0.54 H new ATOM 0 HG3 ARG A 23 9.381 -10.928 -4.798 1.00 0.54 H new ATOM 0 HD2 ARG A 23 7.900 -9.011 -4.671 1.00 0.53 H new ATOM 0 HD3 ARG A 23 8.837 -8.134 -5.864 1.00 0.53 H new ATOM 0 HE ARG A 23 7.787 -10.692 -6.845 1.00 0.70 H new ATOM 0 HH11 ARG A 23 7.165 -7.252 -6.359 1.00 1.57 H new ATOM 0 HH12 ARG A 23 5.955 -7.170 -7.643 1.00 1.57 H new ATOM 0 HH21 ARG A 23 6.237 -10.578 -8.497 1.00 1.47 H new ATOM 0 HH22 ARG A 23 5.432 -9.045 -8.849 1.00 1.47 H new ATOM 339 N GLN A 24 10.708 -11.209 -2.024 1.00 0.49 N ATOM 340 CA GLN A 24 10.450 -12.506 -1.404 1.00 0.55 C ATOM 341 C GLN A 24 9.496 -12.376 -0.217 1.00 0.58 C ATOM 342 O GLN A 24 8.687 -13.267 0.039 1.00 0.66 O ATOM 343 CB GLN A 24 11.762 -13.141 -0.943 1.00 0.69 C ATOM 344 CG GLN A 24 11.578 -14.477 -0.244 1.00 1.52 C ATOM 345 CD GLN A 24 12.879 -15.038 0.291 1.00 2.03 C ATOM 346 OE1 GLN A 24 13.586 -15.769 -0.402 1.00 2.61 O ATOM 347 NE2 GLN A 24 13.201 -14.700 1.535 1.00 2.69 N ATOM 0 H GLN A 24 11.691 -11.029 -2.229 1.00 0.49 H new ATOM 0 HA GLN A 24 9.980 -13.144 -2.152 1.00 0.55 H new ATOM 0 HB2 GLN A 24 12.412 -13.279 -1.807 1.00 0.69 H new ATOM 0 HB3 GLN A 24 12.271 -12.454 -0.267 1.00 0.69 H new ATOM 0 HG2 GLN A 24 10.872 -14.359 0.578 1.00 1.52 H new ATOM 0 HG3 GLN A 24 11.138 -15.190 -0.941 1.00 1.52 H new ATOM 0 HE21 GLN A 24 12.585 -14.091 2.074 1.00 2.69 H new ATOM 0 HE22 GLN A 24 14.064 -15.049 1.951 1.00 2.69 H new ATOM 354 N LYS A 25 9.596 -11.261 0.501 1.00 0.59 N ATOM 355 CA LYS A 25 8.743 -11.021 1.659 1.00 0.68 C ATOM 356 C LYS A 25 7.286 -10.851 1.242 1.00 0.61 C ATOM 357 O LYS A 25 6.371 -11.143 2.011 1.00 0.71 O ATOM 358 CB LYS A 25 9.213 -9.778 2.420 1.00 0.79 C ATOM 359 CG LYS A 25 10.583 -9.937 3.059 1.00 0.99 C ATOM 360 CD LYS A 25 11.037 -8.650 3.728 1.00 1.43 C ATOM 361 CE LYS A 25 12.356 -8.836 4.459 1.00 2.05 C ATOM 362 NZ LYS A 25 12.240 -9.819 5.572 1.00 2.59 N ATOM 0 H LYS A 25 10.258 -10.511 0.301 1.00 0.59 H new ATOM 0 HA LYS A 25 8.816 -11.890 2.313 1.00 0.68 H new ATOM 0 HB2 LYS A 25 9.237 -8.930 1.735 1.00 0.79 H new ATOM 0 HB3 LYS A 25 8.485 -9.540 3.196 1.00 0.79 H new ATOM 0 HG2 LYS A 25 10.551 -10.740 3.796 1.00 0.99 H new ATOM 0 HG3 LYS A 25 11.308 -10.229 2.300 1.00 0.99 H new ATOM 0 HD2 LYS A 25 11.143 -7.867 2.977 1.00 1.43 H new ATOM 0 HD3 LYS A 25 10.274 -8.316 4.431 1.00 1.43 H new ATOM 0 HE2 LYS A 25 13.117 -9.173 3.755 1.00 2.05 H new ATOM 0 HE3 LYS A 25 12.690 -7.877 4.855 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 13.067 -9.734 6.197 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 11.374 -9.628 6.115 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 12.198 -10.782 5.182 1.00 2.59 H new ATOM 372 N LEU A 26 7.078 -10.377 0.018 1.00 0.55 N ATOM 373 CA LEU A 26 5.730 -10.166 -0.500 1.00 0.57 C ATOM 374 C LEU A 26 5.101 -11.486 -0.935 1.00 0.60 C ATOM 375 O LEU A 26 4.016 -11.849 -0.480 1.00 0.68 O ATOM 376 CB LEU A 26 5.761 -9.194 -1.682 1.00 0.55 C ATOM 377 CG LEU A 26 6.327 -7.807 -1.368 1.00 0.69 C ATOM 378 CD1 LEU A 26 6.398 -6.964 -2.632 1.00 1.30 C ATOM 379 CD2 LEU A 26 5.486 -7.114 -0.309 1.00 1.29 C ATOM 0 H LEU A 26 7.824 -10.132 -0.633 1.00 0.55 H new ATOM 0 HA LEU A 26 5.125 -9.739 0.300 1.00 0.57 H new ATOM 0 HB2 LEU A 26 6.353 -9.638 -2.482 1.00 0.55 H new ATOM 0 HB3 LEU A 26 4.746 -9.077 -2.063 1.00 0.55 H new ATOM 0 HG LEU A 26 7.337 -7.927 -0.977 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.803 -5.981 -2.391 1.00 1.30 H new ATOM 0 HD12 LEU A 26 7.044 -7.454 -3.360 1.00 1.30 H new ATOM 0 HD13 LEU A 26 5.398 -6.852 -3.051 1.00 1.30 H new ATOM 0 HD21 LEU A 26 5.904 -6.129 -0.099 1.00 1.29 H new ATOM 0 HD22 LEU A 26 4.464 -7.005 -0.671 1.00 1.29 H new ATOM 0 HD23 LEU A 26 5.486 -7.710 0.603 1.00 1.29 H new ATOM 390 N LEU A 27 5.792 -12.201 -1.817 1.00 0.59 N ATOM 391 CA LEU A 27 5.309 -13.481 -2.322 1.00 0.71 C ATOM 392 C LEU A 27 4.844 -14.384 -1.182 1.00 0.82 C ATOM 393 O LEU A 27 3.947 -15.208 -1.357 1.00 0.95 O ATOM 394 CB LEU A 27 6.409 -14.179 -3.123 1.00 0.75 C ATOM 395 CG LEU A 27 6.998 -13.354 -4.268 1.00 0.71 C ATOM 396 CD1 LEU A 27 8.117 -14.118 -4.959 1.00 0.82 C ATOM 397 CD2 LEU A 27 5.913 -12.976 -5.266 1.00 0.77 C ATOM 0 H LEU A 27 6.693 -11.913 -2.198 1.00 0.59 H new ATOM 0 HA LEU A 27 4.456 -13.287 -2.973 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.214 -14.454 -2.442 1.00 0.75 H new ATOM 0 HB3 LEU A 27 6.007 -15.106 -3.532 1.00 0.75 H new ATOM 0 HG LEU A 27 7.416 -12.438 -3.851 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.523 -13.514 -5.771 1.00 0.82 H new ATOM 0 HD12 LEU A 27 8.906 -14.337 -4.240 1.00 0.82 H new ATOM 0 HD13 LEU A 27 7.725 -15.052 -5.363 1.00 0.82 H new ATOM 0 HD21 LEU A 27 6.350 -12.389 -6.074 1.00 0.77 H new ATOM 0 HD22 LEU A 27 5.465 -13.881 -5.676 1.00 0.77 H new ATOM 0 HD23 LEU A 27 5.146 -12.387 -4.764 1.00 0.77 H new ATOM 408 N SER A 28 5.462 -14.226 -0.016 1.00 0.84 N ATOM 409 CA SER A 28 5.115 -15.031 1.151 1.00 0.98 C ATOM 410 C SER A 28 3.806 -14.559 1.776 1.00 0.89 C ATOM 411 O SER A 28 3.048 -15.355 2.328 1.00 0.99 O ATOM 412 CB SER A 28 6.237 -14.976 2.191 1.00 1.15 C ATOM 413 OG SER A 28 6.443 -13.653 2.657 1.00 1.64 O ATOM 0 H SER A 28 6.206 -13.548 0.147 1.00 0.84 H new ATOM 0 HA SER A 28 4.986 -16.061 0.819 1.00 0.98 H new ATOM 0 HB2 SER A 28 5.989 -15.625 3.031 1.00 1.15 H new ATOM 0 HB3 SER A 28 7.160 -15.358 1.754 1.00 1.15 H new ATOM 0 HG SER A 28 6.121 -13.016 1.985 1.00 1.64 H new ATOM 418 N LEU A 29 3.544 -13.260 1.682 1.00 0.78 N ATOM 419 CA LEU A 29 2.326 -12.684 2.243 1.00 0.78 C ATOM 420 C LEU A 29 1.196 -12.691 1.220 1.00 0.74 C ATOM 421 O LEU A 29 0.019 -12.656 1.580 1.00 0.82 O ATOM 422 CB LEU A 29 2.588 -11.255 2.720 1.00 0.86 C ATOM 423 CG LEU A 29 3.680 -11.115 3.782 1.00 1.06 C ATOM 424 CD1 LEU A 29 3.826 -9.664 4.210 1.00 1.64 C ATOM 425 CD2 LEU A 29 3.372 -11.998 4.983 1.00 1.42 C ATOM 0 H LEU A 29 4.157 -12.586 1.223 1.00 0.78 H new ATOM 0 HA LEU A 29 2.024 -13.296 3.093 1.00 0.78 H new ATOM 0 HB2 LEU A 29 2.860 -10.645 1.859 1.00 0.86 H new ATOM 0 HB3 LEU A 29 1.660 -10.846 3.119 1.00 0.86 H new ATOM 0 HG LEU A 29 4.625 -11.441 3.348 1.00 1.06 H new ATOM 0 HD11 LEU A 29 4.607 -9.584 4.966 1.00 1.64 H new ATOM 0 HD12 LEU A 29 4.093 -9.055 3.346 1.00 1.64 H new ATOM 0 HD13 LEU A 29 2.882 -9.310 4.625 1.00 1.64 H new ATOM 0 HD21 LEU A 29 4.159 -11.886 5.729 1.00 1.42 H new ATOM 0 HD22 LEU A 29 2.417 -11.702 5.417 1.00 1.42 H new ATOM 0 HD23 LEU A 29 3.319 -13.039 4.665 1.00 1.42 H new ATOM 436 N GLY A 30 1.558 -12.736 -0.058 1.00 0.68 N ATOM 437 CA GLY A 30 0.561 -12.744 -1.112 1.00 0.73 C ATOM 438 C GLY A 30 0.249 -11.351 -1.621 1.00 0.71 C ATOM 439 O GLY A 30 -0.865 -11.079 -2.067 1.00 0.82 O ATOM 0 H GLY A 30 2.525 -12.767 -0.382 1.00 0.68 H new ATOM 0 HA2 GLY A 30 0.915 -13.359 -1.939 1.00 0.73 H new ATOM 0 HA3 GLY A 30 -0.354 -13.206 -0.740 1.00 0.73 H new ATOM 443 N MET A 31 1.238 -10.466 -1.552 1.00 0.63 N ATOM 444 CA MET A 31 1.067 -9.092 -2.007 1.00 0.66 C ATOM 445 C MET A 31 1.849 -8.844 -3.293 1.00 0.56 C ATOM 446 O MET A 31 3.024 -8.482 -3.259 1.00 0.54 O ATOM 447 CB MET A 31 1.519 -8.110 -0.923 1.00 0.74 C ATOM 448 CG MET A 31 0.741 -8.235 0.377 1.00 0.94 C ATOM 449 SD MET A 31 1.358 -7.136 1.666 1.00 1.95 S ATOM 450 CE MET A 31 0.264 -7.556 3.020 1.00 2.55 C ATOM 0 H MET A 31 2.166 -10.676 -1.185 1.00 0.63 H new ATOM 0 HA MET A 31 0.008 -8.933 -2.210 1.00 0.66 H new ATOM 0 HB2 MET A 31 2.578 -8.269 -0.719 1.00 0.74 H new ATOM 0 HB3 MET A 31 1.417 -7.093 -1.301 1.00 0.74 H new ATOM 0 HG2 MET A 31 -0.310 -8.014 0.189 1.00 0.94 H new ATOM 0 HG3 MET A 31 0.792 -9.265 0.729 1.00 0.94 H new ATOM 0 HE1 MET A 31 -0.289 -6.669 3.330 1.00 2.55 H new ATOM 0 HE2 MET A 31 -0.437 -8.326 2.696 1.00 2.55 H new ATOM 0 HE3 MET A 31 0.851 -7.929 3.859 1.00 2.55 H new ATOM 458 N LEU A 32 1.188 -9.050 -4.428 1.00 0.56 N ATOM 459 CA LEU A 32 1.819 -8.850 -5.727 1.00 0.49 C ATOM 460 C LEU A 32 1.334 -7.556 -6.372 1.00 0.44 C ATOM 461 O LEU A 32 0.285 -7.027 -6.005 1.00 0.45 O ATOM 462 CB LEU A 32 1.525 -10.034 -6.650 1.00 0.52 C ATOM 463 CG LEU A 32 2.201 -11.351 -6.259 1.00 0.59 C ATOM 464 CD1 LEU A 32 1.731 -11.810 -4.886 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.924 -12.421 -7.302 1.00 0.66 C ATOM 0 H LEU A 32 0.216 -9.355 -4.474 1.00 0.56 H new ATOM 0 HA LEU A 32 2.896 -8.778 -5.573 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.447 -10.192 -6.679 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.836 -9.771 -7.661 1.00 0.52 H new ATOM 0 HG LEU A 32 3.277 -11.183 -6.213 1.00 0.59 H new ATOM 0 HD11 LEU A 32 2.223 -12.747 -4.627 1.00 0.69 H new ATOM 0 HD12 LEU A 32 1.981 -11.052 -4.144 1.00 0.69 H new ATOM 0 HD13 LEU A 32 0.651 -11.960 -4.902 1.00 0.69 H new ATOM 0 HD21 LEU A 32 2.412 -13.350 -7.008 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.849 -12.584 -7.379 1.00 0.66 H new ATOM 0 HD23 LEU A 32 2.312 -12.097 -8.268 1.00 0.66 H new ATOM 476 N PRO A 33 2.095 -7.028 -7.346 1.00 0.41 N ATOM 477 CA PRO A 33 1.733 -5.793 -8.042 1.00 0.40 C ATOM 478 C PRO A 33 0.272 -5.788 -8.479 1.00 0.38 C ATOM 479 O PRO A 33 -0.139 -6.594 -9.315 1.00 0.51 O ATOM 480 CB PRO A 33 2.659 -5.790 -9.258 1.00 0.43 C ATOM 481 CG PRO A 33 3.857 -6.566 -8.826 1.00 0.45 C ATOM 482 CD PRO A 33 3.364 -7.595 -7.844 1.00 0.43 C ATOM 0 HA PRO A 33 1.843 -4.914 -7.407 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.179 -6.251 -10.122 1.00 0.43 H new ATOM 0 HB3 PRO A 33 2.929 -4.774 -9.547 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.339 -7.043 -9.679 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.598 -5.913 -8.365 1.00 0.45 H new ATOM 0 HD2 PRO A 33 3.209 -8.562 -8.322 1.00 0.43 H new ATOM 0 HD3 PRO A 33 4.078 -7.750 -7.035 1.00 0.43 H new ATOM 487 N GLY A 34 -0.509 -4.876 -7.910 1.00 0.34 N ATOM 488 CA GLY A 34 -1.917 -4.786 -8.251 1.00 0.33 C ATOM 489 C GLY A 34 -2.821 -5.235 -7.119 1.00 0.31 C ATOM 490 O GLY A 34 -3.988 -5.556 -7.340 1.00 0.40 O ATOM 0 H GLY A 34 -0.192 -4.197 -7.218 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -2.158 -3.757 -8.517 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -2.113 -5.397 -9.132 1.00 0.33 H new ATOM 494 N SER A 35 -2.283 -5.258 -5.904 1.00 0.28 N ATOM 495 CA SER A 35 -3.050 -5.671 -4.735 1.00 0.28 C ATOM 496 C SER A 35 -3.686 -4.466 -4.052 1.00 0.28 C ATOM 497 O SER A 35 -3.408 -3.321 -4.409 1.00 0.37 O ATOM 498 CB SER A 35 -2.152 -6.421 -3.750 1.00 0.31 C ATOM 499 OG SER A 35 -2.884 -6.850 -2.615 1.00 0.62 O ATOM 0 H SER A 35 -1.318 -4.995 -5.703 1.00 0.28 H new ATOM 0 HA SER A 35 -3.846 -6.338 -5.067 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.705 -7.283 -4.245 1.00 0.31 H new ATOM 0 HB3 SER A 35 -1.333 -5.774 -3.435 1.00 0.31 H new ATOM 0 HG SER A 35 -2.287 -7.328 -2.002 1.00 0.62 H new ATOM 504 N SER A 36 -4.538 -4.726 -3.067 1.00 0.25 N ATOM 505 CA SER A 36 -5.215 -3.658 -2.341 1.00 0.25 C ATOM 506 C SER A 36 -4.808 -3.647 -0.870 1.00 0.23 C ATOM 507 O SER A 36 -4.423 -4.676 -0.313 1.00 0.28 O ATOM 508 CB SER A 36 -6.731 -3.814 -2.460 1.00 0.30 C ATOM 509 OG SER A 36 -7.143 -3.794 -3.817 1.00 1.30 O ATOM 0 H SER A 36 -4.776 -5.667 -2.753 1.00 0.25 H new ATOM 0 HA SER A 36 -4.916 -2.709 -2.786 1.00 0.25 H new ATOM 0 HB2 SER A 36 -7.040 -4.751 -1.997 1.00 0.30 H new ATOM 0 HB3 SER A 36 -7.226 -3.010 -1.915 1.00 0.30 H new ATOM 0 HG SER A 36 -8.116 -3.897 -3.865 1.00 1.30 H new ATOM 514 N PHE A 37 -4.895 -2.475 -0.250 1.00 0.22 N ATOM 515 CA PHE A 37 -4.543 -2.324 1.158 1.00 0.23 C ATOM 516 C PHE A 37 -5.080 -1.005 1.705 1.00 0.23 C ATOM 517 O PHE A 37 -5.433 -0.105 0.942 1.00 0.33 O ATOM 518 CB PHE A 37 -3.024 -2.392 1.339 1.00 0.25 C ATOM 519 CG PHE A 37 -2.296 -1.172 0.844 1.00 0.26 C ATOM 520 CD1 PHE A 37 -2.089 -0.977 -0.511 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.824 -0.220 1.733 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.424 0.142 -0.973 1.00 0.36 C ATOM 523 CE2 PHE A 37 -1.158 0.903 1.279 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.947 1.084 -0.064 1.00 0.33 C ATOM 0 H PHE A 37 -5.207 -1.615 -0.701 1.00 0.22 H new ATOM 0 HA PHE A 37 -4.998 -3.142 1.715 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -2.800 -2.533 2.396 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.644 -3.268 0.813 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.452 -1.710 -1.216 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -1.978 -0.357 2.793 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -1.275 0.286 -2.033 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.803 1.640 1.984 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.413 1.954 -0.416 1.00 0.33 H new ATOM 533 N HIS A 38 -5.141 -0.894 3.027 1.00 0.21 N ATOM 534 CA HIS A 38 -5.639 0.317 3.667 1.00 0.24 C ATOM 535 C HIS A 38 -4.542 1.000 4.477 1.00 0.24 C ATOM 536 O HIS A 38 -4.020 0.431 5.437 1.00 0.40 O ATOM 537 CB HIS A 38 -6.829 -0.009 4.570 1.00 0.28 C ATOM 538 CG HIS A 38 -7.362 1.180 5.309 1.00 1.17 C ATOM 539 ND1 HIS A 38 -7.292 1.309 6.679 1.00 2.13 N ATOM 540 CD2 HIS A 38 -7.977 2.300 4.859 1.00 1.98 C ATOM 541 CE1 HIS A 38 -7.841 2.454 7.040 1.00 2.94 C ATOM 542 NE2 HIS A 38 -8.263 3.076 5.954 1.00 2.82 N ATOM 0 H HIS A 38 -4.852 -1.627 3.675 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.964 1.002 2.883 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -7.627 -0.438 3.965 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.530 -0.771 5.290 1.00 0.28 H new ATOM 0 HD2 HIS A 38 -8.201 2.538 3.830 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -7.930 2.820 8.052 1.00 2.94 H new ATOM 0 HE2 HIS A 38 -8.726 3.985 5.933 1.00 2.82 H new ATOM 550 N VAL A 39 -4.197 2.221 4.084 1.00 0.27 N ATOM 551 CA VAL A 39 -3.165 2.985 4.775 1.00 0.27 C ATOM 552 C VAL A 39 -3.609 3.356 6.185 1.00 0.28 C ATOM 553 O VAL A 39 -4.753 3.756 6.400 1.00 0.40 O ATOM 554 CB VAL A 39 -2.811 4.272 4.005 1.00 0.39 C ATOM 555 CG1 VAL A 39 -4.031 5.172 3.878 1.00 1.28 C ATOM 556 CG2 VAL A 39 -1.667 5.007 4.690 1.00 0.88 C ATOM 0 H VAL A 39 -4.617 2.703 3.290 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.282 2.348 4.831 1.00 0.27 H new ATOM 0 HB VAL A 39 -2.486 3.995 3.002 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -3.761 6.076 3.331 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -4.818 4.644 3.340 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -4.389 5.442 4.872 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -1.431 5.913 4.132 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -1.961 5.272 5.705 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -0.789 4.362 4.724 1.00 0.88 H new ATOM 566 N VAL A 40 -2.699 3.222 7.146 1.00 0.24 N ATOM 567 CA VAL A 40 -3.004 3.545 8.534 1.00 0.34 C ATOM 568 C VAL A 40 -2.515 4.944 8.898 1.00 0.37 C ATOM 569 O VAL A 40 -3.252 5.734 9.487 1.00 0.54 O ATOM 570 CB VAL A 40 -2.372 2.527 9.500 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.736 2.860 10.939 1.00 0.54 C ATOM 572 CG2 VAL A 40 -2.812 1.114 9.146 1.00 0.43 C ATOM 0 H VAL A 40 -1.747 2.893 6.988 1.00 0.24 H new ATOM 0 HA VAL A 40 -4.089 3.506 8.633 1.00 0.34 H new ATOM 0 HB VAL A 40 -1.288 2.583 9.401 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -2.281 2.130 11.608 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -2.369 3.856 11.186 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.819 2.833 11.056 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -2.356 0.407 9.839 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -3.897 1.043 9.216 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.498 0.879 8.129 1.00 0.43 H new ATOM 582 N ARG A 41 -1.271 5.246 8.544 1.00 0.27 N ATOM 583 CA ARG A 41 -0.692 6.552 8.840 1.00 0.31 C ATOM 584 C ARG A 41 0.539 6.818 7.980 1.00 0.31 C ATOM 585 O ARG A 41 1.371 5.934 7.776 1.00 0.40 O ATOM 586 CB ARG A 41 -0.325 6.643 10.322 1.00 0.40 C ATOM 587 CG ARG A 41 0.610 5.536 10.790 1.00 0.47 C ATOM 588 CD ARG A 41 0.908 5.653 12.276 1.00 0.57 C ATOM 589 NE ARG A 41 1.794 4.591 12.743 1.00 1.37 N ATOM 590 CZ ARG A 41 2.319 4.554 13.964 1.00 1.62 C ATOM 591 NH1 ARG A 41 2.047 5.515 14.835 1.00 0.94 N ATOM 592 NH2 ARG A 41 3.117 3.553 14.312 1.00 2.80 N ATOM 0 H ARG A 41 -0.645 4.607 8.053 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.439 7.311 8.608 1.00 0.31 H new ATOM 0 HB2 ARG A 41 0.145 7.608 10.512 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -1.238 6.610 10.916 1.00 0.40 H new ATOM 0 HG2 ARG A 41 0.159 4.565 10.583 1.00 0.47 H new ATOM 0 HG3 ARG A 41 1.542 5.582 10.226 1.00 0.47 H new ATOM 0 HD2 ARG A 41 1.365 6.621 12.479 1.00 0.57 H new ATOM 0 HD3 ARG A 41 -0.026 5.618 12.837 1.00 0.57 H new ATOM 0 HE ARG A 41 2.023 3.836 12.097 1.00 1.37 H new ATOM 0 HH11 ARG A 41 1.434 6.285 14.569 1.00 0.94 H new ATOM 0 HH12 ARG A 41 2.451 5.484 15.771 1.00 0.94 H new ATOM 0 HH21 ARG A 41 3.327 2.812 13.643 1.00 2.80 H new ATOM 0 HH22 ARG A 41 3.520 3.524 15.249 1.00 2.80 H new ATOM 603 N VAL A 42 0.647 8.045 7.478 1.00 0.33 N ATOM 604 CA VAL A 42 1.774 8.432 6.638 1.00 0.39 C ATOM 605 C VAL A 42 2.155 9.892 6.869 1.00 0.43 C ATOM 606 O VAL A 42 1.351 10.682 7.364 1.00 0.49 O ATOM 607 CB VAL A 42 1.455 8.229 5.145 1.00 0.52 C ATOM 608 CG1 VAL A 42 2.703 8.424 4.300 1.00 0.97 C ATOM 609 CG2 VAL A 42 0.853 6.853 4.907 1.00 1.20 C ATOM 0 H VAL A 42 -0.033 8.788 7.639 1.00 0.33 H new ATOM 0 HA VAL A 42 2.611 7.791 6.915 1.00 0.39 H new ATOM 0 HB VAL A 42 0.721 8.977 4.847 1.00 0.52 H new ATOM 0 HG11 VAL A 42 2.457 8.276 3.248 1.00 0.97 H new ATOM 0 HG12 VAL A 42 3.086 9.434 4.445 1.00 0.97 H new ATOM 0 HG13 VAL A 42 3.462 7.702 4.600 1.00 0.97 H new ATOM 0 HG21 VAL A 42 0.635 6.730 3.846 1.00 1.20 H new ATOM 0 HG22 VAL A 42 1.561 6.087 5.223 1.00 1.20 H new ATOM 0 HG23 VAL A 42 -0.069 6.755 5.481 1.00 1.20 H new ATOM 619 N ALA A 43 3.385 10.242 6.508 1.00 0.47 N ATOM 620 CA ALA A 43 3.871 11.608 6.676 1.00 0.55 C ATOM 621 C ALA A 43 4.306 12.206 5.339 1.00 0.69 C ATOM 622 O ALA A 43 4.650 11.476 4.410 1.00 0.81 O ATOM 623 CB ALA A 43 5.019 11.643 7.672 1.00 0.55 C ATOM 0 H ALA A 43 4.063 9.600 6.098 1.00 0.47 H new ATOM 0 HA ALA A 43 3.051 12.213 7.064 1.00 0.55 H new ATOM 0 HB1 ALA A 43 5.370 12.668 7.786 1.00 0.55 H new ATOM 0 HB2 ALA A 43 4.676 11.267 8.636 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.835 11.018 7.309 1.00 0.55 H new ATOM 629 N PRO A 44 4.299 13.546 5.229 1.00 0.83 N ATOM 630 CA PRO A 44 4.688 14.240 3.998 1.00 1.00 C ATOM 631 C PRO A 44 6.199 14.270 3.792 1.00 0.98 C ATOM 632 O PRO A 44 6.679 14.343 2.663 1.00 1.15 O ATOM 633 CB PRO A 44 4.152 15.655 4.216 1.00 1.14 C ATOM 634 CG PRO A 44 4.182 15.844 5.692 1.00 1.34 C ATOM 635 CD PRO A 44 3.911 14.490 6.296 1.00 1.00 C ATOM 0 HA PRO A 44 4.295 13.745 3.110 1.00 1.00 H new ATOM 0 HB2 PRO A 44 4.770 16.396 3.709 1.00 1.14 H new ATOM 0 HB3 PRO A 44 3.141 15.761 3.823 1.00 1.14 H new ATOM 0 HG2 PRO A 44 5.150 16.228 6.016 1.00 1.34 H new ATOM 0 HG3 PRO A 44 3.430 16.568 6.007 1.00 1.34 H new ATOM 0 HD2 PRO A 44 4.495 14.332 7.202 1.00 1.00 H new ATOM 0 HD3 PRO A 44 2.862 14.376 6.569 1.00 1.00 H new ATOM 640 N LEU A 45 6.944 14.212 4.891 1.00 0.85 N ATOM 641 CA LEU A 45 8.401 14.236 4.827 1.00 0.90 C ATOM 642 C LEU A 45 8.968 12.823 4.737 1.00 0.91 C ATOM 643 O LEU A 45 9.761 12.516 3.847 1.00 1.23 O ATOM 644 CB LEU A 45 8.973 14.951 6.052 1.00 0.90 C ATOM 645 CG LEU A 45 10.494 15.108 6.058 1.00 1.76 C ATOM 646 CD1 LEU A 45 10.950 15.929 4.861 1.00 2.51 C ATOM 647 CD2 LEU A 45 10.957 15.753 7.356 1.00 2.25 C ATOM 0 H LEU A 45 6.564 14.148 5.835 1.00 0.85 H new ATOM 0 HA LEU A 45 8.691 14.780 3.928 1.00 0.90 H new ATOM 0 HB2 LEU A 45 8.521 15.940 6.120 1.00 0.90 H new ATOM 0 HB3 LEU A 45 8.676 14.402 6.946 1.00 0.90 H new ATOM 0 HG LEU A 45 10.944 14.118 5.986 1.00 1.76 H new ATOM 0 HD11 LEU A 45 12.035 16.031 4.882 1.00 2.51 H new ATOM 0 HD12 LEU A 45 10.650 15.428 3.941 1.00 2.51 H new ATOM 0 HD13 LEU A 45 10.492 16.917 4.902 1.00 2.51 H new ATOM 0 HD21 LEU A 45 12.042 15.857 7.344 1.00 2.25 H new ATOM 0 HD22 LEU A 45 10.499 16.737 7.457 1.00 2.25 H new ATOM 0 HD23 LEU A 45 10.662 15.127 8.199 1.00 2.25 H new ATOM 658 N GLY A 46 8.555 11.965 5.665 1.00 0.72 N ATOM 659 CA GLY A 46 9.034 10.594 5.674 1.00 0.72 C ATOM 660 C GLY A 46 8.856 9.928 7.025 1.00 0.66 C ATOM 661 O GLY A 46 9.514 10.299 7.997 1.00 0.77 O ATOM 0 H GLY A 46 7.898 12.194 6.410 1.00 0.72 H new ATOM 0 HA2 GLY A 46 8.500 10.021 4.916 1.00 0.72 H new ATOM 0 HA3 GLY A 46 10.089 10.579 5.401 1.00 0.72 H new ATOM 665 N ASP A 47 7.966 8.944 7.086 1.00 0.53 N ATOM 666 CA ASP A 47 7.700 8.229 8.330 1.00 0.49 C ATOM 667 C ASP A 47 7.321 6.776 8.058 1.00 0.46 C ATOM 668 O ASP A 47 7.140 6.380 6.907 1.00 0.46 O ATOM 669 CB ASP A 47 6.586 8.937 9.106 1.00 0.45 C ATOM 670 CG ASP A 47 7.071 10.210 9.773 1.00 0.78 C ATOM 671 OD1 ASP A 47 7.255 11.221 9.063 1.00 0.94 O ATOM 672 OD2 ASP A 47 7.271 10.195 11.005 1.00 1.07 O ATOM 0 H ASP A 47 7.416 8.623 6.289 1.00 0.53 H new ATOM 0 HA ASP A 47 8.610 8.229 8.931 1.00 0.49 H new ATOM 0 HB2 ASP A 47 5.767 9.174 8.427 1.00 0.45 H new ATOM 0 HB3 ASP A 47 6.187 8.262 9.863 1.00 0.45 H new ATOM 676 N PRO A 48 7.195 5.961 9.121 1.00 0.47 N ATOM 677 CA PRO A 48 6.834 4.554 9.003 1.00 0.47 C ATOM 678 C PRO A 48 5.324 4.366 8.919 1.00 0.37 C ATOM 679 O PRO A 48 4.591 4.699 9.852 1.00 0.38 O ATOM 680 CB PRO A 48 7.378 3.924 10.296 1.00 0.56 C ATOM 681 CG PRO A 48 7.982 5.044 11.090 1.00 0.61 C ATOM 682 CD PRO A 48 7.438 6.323 10.516 1.00 0.53 C ATOM 0 HA PRO A 48 7.241 4.103 8.098 1.00 0.47 H new ATOM 0 HB2 PRO A 48 6.580 3.437 10.856 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.123 3.160 10.073 1.00 0.56 H new ATOM 0 HG2 PRO A 48 7.724 4.953 12.145 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.070 5.022 11.024 1.00 0.61 H new ATOM 0 HD2 PRO A 48 6.524 6.638 11.019 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.150 7.144 10.605 1.00 0.53 H new ATOM 687 N VAL A 49 4.871 3.830 7.794 1.00 0.32 N ATOM 688 CA VAL A 49 3.452 3.604 7.565 1.00 0.26 C ATOM 689 C VAL A 49 3.111 2.118 7.656 1.00 0.28 C ATOM 690 O VAL A 49 3.960 1.256 7.423 1.00 0.39 O ATOM 691 CB VAL A 49 3.029 4.160 6.187 1.00 0.27 C ATOM 692 CG1 VAL A 49 4.006 3.707 5.114 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.602 3.755 5.835 1.00 0.31 C ATOM 0 H VAL A 49 5.471 3.542 7.021 1.00 0.32 H new ATOM 0 HA VAL A 49 2.901 4.132 8.343 1.00 0.26 H new ATOM 0 HB VAL A 49 3.052 5.248 6.240 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.696 4.106 4.148 1.00 0.35 H new ATOM 0 HG12 VAL A 49 5.005 4.072 5.354 1.00 0.35 H new ATOM 0 HG13 VAL A 49 4.019 2.618 5.070 1.00 0.35 H new ATOM 0 HG21 VAL A 49 1.338 4.163 4.859 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.529 2.668 5.805 1.00 0.31 H new ATOM 0 HG23 VAL A 49 0.917 4.144 6.588 1.00 0.31 H new ATOM 703 N HIS A 50 1.858 1.830 7.996 1.00 0.29 N ATOM 704 CA HIS A 50 1.393 0.453 8.122 1.00 0.31 C ATOM 705 C HIS A 50 0.253 0.175 7.148 1.00 0.29 C ATOM 706 O HIS A 50 -0.602 1.031 6.917 1.00 0.31 O ATOM 707 CB HIS A 50 0.928 0.175 9.554 1.00 0.34 C ATOM 708 CG HIS A 50 2.003 0.357 10.580 1.00 0.37 C ATOM 709 ND1 HIS A 50 2.509 -0.681 11.335 1.00 1.13 N ATOM 710 CD2 HIS A 50 2.667 1.468 10.981 1.00 1.08 C ATOM 711 CE1 HIS A 50 3.435 -0.217 12.153 1.00 0.85 C ATOM 712 NE2 HIS A 50 3.551 1.084 11.958 1.00 0.68 N ATOM 0 H HIS A 50 1.145 2.534 8.189 1.00 0.29 H new ATOM 0 HA HIS A 50 2.227 -0.207 7.883 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.095 0.837 9.791 1.00 0.34 H new ATOM 0 HB3 HIS A 50 0.551 -0.846 9.613 1.00 0.34 H new ATOM 0 HD1 HIS A 50 2.213 -1.655 11.271 1.00 1.13 H new ATOM 0 HD2 HIS A 50 2.527 2.470 10.602 1.00 1.08 H new ATOM 0 HE1 HIS A 50 4.002 -0.802 12.862 1.00 0.85 H new ATOM 720 N ILE A 51 0.243 -1.027 6.582 1.00 0.32 N ATOM 721 CA ILE A 51 -0.792 -1.415 5.633 1.00 0.32 C ATOM 722 C ILE A 51 -1.653 -2.547 6.182 1.00 0.32 C ATOM 723 O ILE A 51 -1.140 -3.505 6.762 1.00 0.31 O ATOM 724 CB ILE A 51 -0.186 -1.864 4.290 1.00 0.34 C ATOM 725 CG1 ILE A 51 0.726 -3.071 4.498 1.00 0.34 C ATOM 726 CG2 ILE A 51 0.578 -0.720 3.641 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.296 -3.628 3.213 1.00 0.36 C ATOM 0 H ILE A 51 0.940 -1.749 6.764 1.00 0.32 H new ATOM 0 HA ILE A 51 -1.412 -0.533 5.473 1.00 0.32 H new ATOM 0 HB ILE A 51 -0.997 -2.155 3.622 1.00 0.34 H new ATOM 0 HG12 ILE A 51 1.547 -2.786 5.156 1.00 0.34 H new ATOM 0 HG13 ILE A 51 0.166 -3.855 5.007 1.00 0.34 H new ATOM 0 HG21 ILE A 51 0.999 -1.055 2.693 1.00 0.36 H new ATOM 0 HG22 ILE A 51 -0.100 0.115 3.462 1.00 0.36 H new ATOM 0 HG23 ILE A 51 1.383 -0.398 4.302 1.00 0.36 H new ATOM 0 HD11 ILE A 51 1.934 -4.483 3.438 1.00 0.36 H new ATOM 0 HD12 ILE A 51 0.482 -3.944 2.561 1.00 0.36 H new ATOM 0 HD13 ILE A 51 1.884 -2.859 2.712 1.00 0.36 H new ATOM 738 N GLU A 52 -2.964 -2.428 5.997 1.00 0.36 N ATOM 739 CA GLU A 52 -3.899 -3.443 6.467 1.00 0.39 C ATOM 740 C GLU A 52 -4.489 -4.210 5.288 1.00 0.42 C ATOM 741 O GLU A 52 -5.194 -3.641 4.456 1.00 0.43 O ATOM 742 CB GLU A 52 -5.019 -2.796 7.284 1.00 0.45 C ATOM 743 CG GLU A 52 -6.004 -3.795 7.865 1.00 1.01 C ATOM 744 CD GLU A 52 -7.041 -3.141 8.756 1.00 1.46 C ATOM 745 OE1 GLU A 52 -6.774 -2.990 9.967 1.00 2.13 O ATOM 746 OE2 GLU A 52 -8.121 -2.777 8.243 1.00 1.91 O ATOM 0 H GLU A 52 -3.403 -1.638 5.524 1.00 0.36 H new ATOM 0 HA GLU A 52 -3.357 -4.142 7.104 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -4.578 -2.219 8.097 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.559 -2.092 6.651 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -6.507 -4.318 7.052 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -5.459 -4.545 8.438 1.00 1.01 H new ATOM 751 N THR A 53 -4.198 -5.505 5.224 1.00 0.52 N ATOM 752 CA THR A 53 -4.696 -6.343 4.140 1.00 0.58 C ATOM 753 C THR A 53 -5.345 -7.618 4.678 1.00 0.61 C ATOM 754 O THR A 53 -5.597 -7.740 5.877 1.00 0.60 O ATOM 755 CB THR A 53 -3.564 -6.715 3.164 1.00 0.59 C ATOM 756 OG1 THR A 53 -2.634 -7.593 3.808 1.00 0.55 O ATOM 757 CG2 THR A 53 -2.836 -5.467 2.687 1.00 0.64 C ATOM 0 H THR A 53 -3.622 -5.996 5.908 1.00 0.52 H new ATOM 0 HA THR A 53 -5.450 -5.764 3.606 1.00 0.58 H new ATOM 0 HB THR A 53 -4.004 -7.217 2.302 1.00 0.59 H new ATOM 0 HG1 THR A 53 -2.569 -8.430 3.302 1.00 0.55 H new ATOM 0 HG21 THR A 53 -2.040 -5.751 1.999 1.00 0.64 H new ATOM 0 HG22 THR A 53 -3.539 -4.808 2.177 1.00 0.64 H new ATOM 0 HG23 THR A 53 -2.407 -4.947 3.543 1.00 0.64 H new ATOM 765 N ARG A 54 -5.607 -8.570 3.783 1.00 0.68 N ATOM 766 CA ARG A 54 -6.236 -9.838 4.152 1.00 0.73 C ATOM 767 C ARG A 54 -5.679 -10.394 5.462 1.00 0.67 C ATOM 768 O ARG A 54 -4.663 -11.090 5.474 1.00 0.69 O ATOM 769 CB ARG A 54 -6.048 -10.864 3.034 1.00 0.84 C ATOM 770 CG ARG A 54 -6.705 -10.457 1.724 1.00 1.47 C ATOM 771 CD ARG A 54 -8.214 -10.352 1.871 1.00 1.53 C ATOM 772 NE ARG A 54 -8.848 -9.856 0.654 1.00 2.10 N ATOM 773 CZ ARG A 54 -10.143 -9.564 0.567 1.00 2.32 C ATOM 774 NH1 ARG A 54 -10.934 -9.728 1.618 1.00 1.97 N ATOM 775 NH2 ARG A 54 -10.647 -9.110 -0.573 1.00 3.04 N ATOM 0 H ARG A 54 -5.391 -8.486 2.790 1.00 0.68 H new ATOM 0 HA ARG A 54 -7.298 -9.643 4.298 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -4.982 -11.015 2.865 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -6.459 -11.821 3.356 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -6.302 -9.499 1.395 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -6.463 -11.187 0.951 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -8.623 -11.331 2.120 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -8.452 -9.687 2.701 1.00 1.53 H new ATOM 0 HE ARG A 54 -8.267 -9.726 -0.174 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -10.550 -10.079 2.496 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -11.927 -9.504 1.549 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -10.041 -8.984 -1.384 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -11.640 -8.887 -0.638 1.00 3.04 H new ATOM 786 N ARG A 55 -6.351 -10.071 6.563 1.00 0.66 N ATOM 787 CA ARG A 55 -5.954 -10.537 7.888 1.00 0.66 C ATOM 788 C ARG A 55 -4.439 -10.482 8.082 1.00 0.62 C ATOM 789 O ARG A 55 -3.820 -11.477 8.457 1.00 0.70 O ATOM 790 CB ARG A 55 -6.453 -11.966 8.115 1.00 0.73 C ATOM 791 CG ARG A 55 -7.950 -12.127 7.906 1.00 1.06 C ATOM 792 CD ARG A 55 -8.389 -13.568 8.110 1.00 1.67 C ATOM 793 NE ARG A 55 -7.700 -14.484 7.206 1.00 2.43 N ATOM 794 CZ ARG A 55 -7.905 -15.798 7.190 1.00 3.17 C ATOM 795 NH1 ARG A 55 -8.787 -16.344 8.015 1.00 3.34 N ATOM 796 NH2 ARG A 55 -7.230 -16.565 6.347 1.00 4.11 N ATOM 0 H ARG A 55 -7.183 -9.481 6.562 1.00 0.66 H new ATOM 0 HA ARG A 55 -6.409 -9.868 8.619 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -5.926 -12.638 7.438 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -6.201 -12.273 9.130 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -8.487 -11.480 8.600 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -8.215 -11.804 6.899 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -8.196 -13.863 9.141 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -9.465 -13.645 7.953 1.00 1.67 H new ATOM 0 HE ARG A 55 -7.023 -14.094 6.550 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -9.310 -15.756 8.664 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -8.943 -17.352 8.001 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -6.552 -16.148 5.709 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -7.388 -17.573 6.336 1.00 4.11 H new ATOM 807 N VAL A 56 -3.848 -9.318 7.831 1.00 0.58 N ATOM 808 CA VAL A 56 -2.407 -9.157 7.988 1.00 0.57 C ATOM 809 C VAL A 56 -1.989 -7.697 7.838 1.00 0.49 C ATOM 810 O VAL A 56 -2.148 -7.100 6.773 1.00 0.50 O ATOM 811 CB VAL A 56 -1.632 -10.016 6.969 1.00 0.66 C ATOM 812 CG1 VAL A 56 -1.951 -9.588 5.548 1.00 1.02 C ATOM 813 CG2 VAL A 56 -0.137 -9.935 7.230 1.00 1.23 C ATOM 0 H VAL A 56 -4.339 -8.480 7.521 1.00 0.58 H new ATOM 0 HA VAL A 56 -2.161 -9.493 8.995 1.00 0.57 H new ATOM 0 HB VAL A 56 -1.947 -11.053 7.089 1.00 0.66 H new ATOM 0 HG11 VAL A 56 -1.392 -10.208 4.847 1.00 1.02 H new ATOM 0 HG12 VAL A 56 -3.019 -9.704 5.364 1.00 1.02 H new ATOM 0 HG13 VAL A 56 -1.671 -8.544 5.411 1.00 1.02 H new ATOM 0 HG21 VAL A 56 0.393 -10.548 6.501 1.00 1.23 H new ATOM 0 HG22 VAL A 56 0.192 -8.900 7.142 1.00 1.23 H new ATOM 0 HG23 VAL A 56 0.077 -10.300 8.235 1.00 1.23 H new ATOM 823 N SER A 57 -1.460 -7.130 8.917 1.00 0.48 N ATOM 824 CA SER A 57 -1.010 -5.742 8.910 1.00 0.43 C ATOM 825 C SER A 57 0.513 -5.674 8.852 1.00 0.42 C ATOM 826 O SER A 57 1.196 -5.985 9.827 1.00 0.46 O ATOM 827 CB SER A 57 -1.517 -5.007 10.153 1.00 0.51 C ATOM 828 OG SER A 57 -1.116 -3.648 10.143 1.00 0.64 O ATOM 0 H SER A 57 -1.332 -7.610 9.808 1.00 0.48 H new ATOM 0 HA SER A 57 -1.418 -5.257 8.023 1.00 0.43 H new ATOM 0 HB2 SER A 57 -2.604 -5.068 10.197 1.00 0.51 H new ATOM 0 HB3 SER A 57 -1.134 -5.495 11.049 1.00 0.51 H new ATOM 0 HG SER A 57 -1.454 -3.201 10.947 1.00 0.64 H new ATOM 833 N LEU A 58 1.036 -5.269 7.700 1.00 0.38 N ATOM 834 CA LEU A 58 2.479 -5.167 7.510 1.00 0.40 C ATOM 835 C LEU A 58 2.948 -3.723 7.654 1.00 0.37 C ATOM 836 O LEU A 58 2.161 -2.786 7.508 1.00 0.38 O ATOM 837 CB LEU A 58 2.866 -5.713 6.135 1.00 0.43 C ATOM 838 CG LEU A 58 4.369 -5.759 5.853 1.00 0.96 C ATOM 839 CD1 LEU A 58 5.069 -6.661 6.856 1.00 1.50 C ATOM 840 CD2 LEU A 58 4.628 -6.234 4.431 1.00 1.54 C ATOM 0 H LEU A 58 0.483 -5.006 6.884 1.00 0.38 H new ATOM 0 HA LEU A 58 2.969 -5.761 8.281 1.00 0.40 H new ATOM 0 HB2 LEU A 58 2.463 -6.721 6.035 1.00 0.43 H new ATOM 0 HB3 LEU A 58 2.387 -5.101 5.371 1.00 0.43 H new ATOM 0 HG LEU A 58 4.773 -4.752 5.957 1.00 0.96 H new ATOM 0 HD11 LEU A 58 6.138 -6.683 6.642 1.00 1.50 H new ATOM 0 HD12 LEU A 58 4.909 -6.278 7.864 1.00 1.50 H new ATOM 0 HD13 LEU A 58 4.663 -7.670 6.783 1.00 1.50 H new ATOM 0 HD21 LEU A 58 5.702 -6.261 4.246 1.00 1.54 H new ATOM 0 HD22 LEU A 58 4.212 -7.233 4.300 1.00 1.54 H new ATOM 0 HD23 LEU A 58 4.156 -5.549 3.727 1.00 1.54 H new ATOM 851 N VAL A 59 4.233 -3.549 7.944 1.00 0.41 N ATOM 852 CA VAL A 59 4.806 -2.218 8.108 1.00 0.40 C ATOM 853 C VAL A 59 5.684 -1.848 6.919 1.00 0.40 C ATOM 854 O VAL A 59 6.237 -2.720 6.247 1.00 0.47 O ATOM 855 CB VAL A 59 5.644 -2.122 9.399 1.00 0.45 C ATOM 856 CG1 VAL A 59 6.827 -3.074 9.342 1.00 0.50 C ATOM 857 CG2 VAL A 59 6.111 -0.693 9.624 1.00 0.45 C ATOM 0 H VAL A 59 4.897 -4.313 8.070 1.00 0.41 H new ATOM 0 HA VAL A 59 3.971 -1.520 8.172 1.00 0.40 H new ATOM 0 HB VAL A 59 5.016 -2.413 10.241 1.00 0.45 H new ATOM 0 HG11 VAL A 59 7.405 -2.991 10.262 1.00 0.50 H new ATOM 0 HG12 VAL A 59 6.466 -4.097 9.231 1.00 0.50 H new ATOM 0 HG13 VAL A 59 7.459 -2.818 8.492 1.00 0.50 H new ATOM 0 HG21 VAL A 59 6.701 -0.643 10.539 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.722 -0.373 8.780 1.00 0.45 H new ATOM 0 HG23 VAL A 59 5.245 -0.037 9.714 1.00 0.45 H new ATOM 867 N LEU A 60 5.810 -0.549 6.663 1.00 0.39 N ATOM 868 CA LEU A 60 6.622 -0.064 5.552 1.00 0.40 C ATOM 869 C LEU A 60 7.313 1.249 5.911 1.00 0.38 C ATOM 870 O LEU A 60 6.656 2.248 6.203 1.00 0.48 O ATOM 871 CB LEU A 60 5.753 0.125 4.307 1.00 0.45 C ATOM 872 CG LEU A 60 5.123 -1.157 3.759 1.00 0.61 C ATOM 873 CD1 LEU A 60 4.210 -0.842 2.585 1.00 0.77 C ATOM 874 CD2 LEU A 60 6.203 -2.145 3.346 1.00 0.97 C ATOM 0 H LEU A 60 5.361 0.186 7.209 1.00 0.39 H new ATOM 0 HA LEU A 60 7.390 -0.809 5.343 1.00 0.40 H new ATOM 0 HB2 LEU A 60 4.957 0.832 4.541 1.00 0.45 H new ATOM 0 HB3 LEU A 60 6.361 0.577 3.523 1.00 0.45 H new ATOM 0 HG LEU A 60 4.523 -1.612 4.548 1.00 0.61 H new ATOM 0 HD11 LEU A 60 3.771 -1.765 2.208 1.00 0.77 H new ATOM 0 HD12 LEU A 60 3.417 -0.169 2.911 1.00 0.77 H new ATOM 0 HD13 LEU A 60 4.787 -0.365 1.793 1.00 0.77 H new ATOM 0 HD21 LEU A 60 5.738 -3.051 2.958 1.00 0.97 H new ATOM 0 HD22 LEU A 60 6.828 -1.699 2.573 1.00 0.97 H new ATOM 0 HD23 LEU A 60 6.818 -2.394 4.211 1.00 0.97 H new ATOM 885 N ARG A 61 8.642 1.240 5.883 1.00 0.51 N ATOM 886 CA ARG A 61 9.425 2.426 6.206 1.00 0.58 C ATOM 887 C ARG A 61 9.432 3.409 5.038 1.00 0.54 C ATOM 888 O ARG A 61 8.727 3.217 4.048 1.00 0.59 O ATOM 889 CB ARG A 61 10.860 2.030 6.568 1.00 0.69 C ATOM 890 CG ARG A 61 10.948 1.097 7.763 1.00 1.34 C ATOM 891 CD ARG A 61 10.442 1.765 9.032 1.00 1.51 C ATOM 892 NE ARG A 61 11.219 2.954 9.372 1.00 2.06 N ATOM 893 CZ ARG A 61 11.175 3.546 10.561 1.00 2.47 C ATOM 894 NH1 ARG A 61 10.392 3.061 11.516 1.00 2.45 N ATOM 895 NH2 ARG A 61 11.913 4.622 10.797 1.00 3.32 N ATOM 0 H ARG A 61 9.200 0.422 5.639 1.00 0.51 H new ATOM 0 HA ARG A 61 8.963 2.915 7.064 1.00 0.58 H new ATOM 0 HB2 ARG A 61 11.324 1.549 5.707 1.00 0.69 H new ATOM 0 HB3 ARG A 61 11.435 2.932 6.778 1.00 0.69 H new ATOM 0 HG2 ARG A 61 10.365 0.197 7.567 1.00 1.34 H new ATOM 0 HG3 ARG A 61 11.982 0.782 7.904 1.00 1.34 H new ATOM 0 HD2 ARG A 61 9.395 2.040 8.904 1.00 1.51 H new ATOM 0 HD3 ARG A 61 10.486 1.055 9.858 1.00 1.51 H new ATOM 0 HE ARG A 61 11.829 3.352 8.658 1.00 2.06 H new ATOM 0 HH11 ARG A 61 9.823 2.233 11.338 1.00 2.45 H new ATOM 0 HH12 ARG A 61 10.359 3.516 12.428 1.00 2.45 H new ATOM 0 HH21 ARG A 61 12.516 4.997 10.065 1.00 3.32 H new ATOM 0 HH22 ARG A 61 11.877 5.075 11.710 1.00 3.32 H new ATOM 906 N LYS A 62 10.231 4.463 5.165 1.00 0.69 N ATOM 907 CA LYS A 62 10.329 5.483 4.125 1.00 0.74 C ATOM 908 C LYS A 62 11.145 4.981 2.936 1.00 0.68 C ATOM 909 O LYS A 62 10.939 5.416 1.803 1.00 0.76 O ATOM 910 CB LYS A 62 10.967 6.751 4.693 1.00 0.92 C ATOM 911 CG LYS A 62 10.229 7.314 5.898 1.00 1.88 C ATOM 912 CD LYS A 62 11.191 7.904 6.918 1.00 2.95 C ATOM 913 CE LYS A 62 12.060 6.831 7.555 1.00 3.60 C ATOM 914 NZ LYS A 62 12.973 7.395 8.585 1.00 4.70 N ATOM 0 H LYS A 62 10.821 4.634 5.979 1.00 0.69 H new ATOM 0 HA LYS A 62 9.321 5.709 3.777 1.00 0.74 H new ATOM 0 HB2 LYS A 62 11.997 6.534 4.976 1.00 0.92 H new ATOM 0 HB3 LYS A 62 11.004 7.511 3.912 1.00 0.92 H new ATOM 0 HG2 LYS A 62 9.529 8.082 5.570 1.00 1.88 H new ATOM 0 HG3 LYS A 62 9.640 6.525 6.366 1.00 1.88 H new ATOM 0 HD2 LYS A 62 11.825 8.646 6.434 1.00 2.95 H new ATOM 0 HD3 LYS A 62 10.627 8.423 7.693 1.00 2.95 H new ATOM 0 HE2 LYS A 62 11.424 6.072 8.010 1.00 3.60 H new ATOM 0 HE3 LYS A 62 12.647 6.334 6.783 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 13.548 6.631 8.995 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 13.598 8.101 8.146 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 12.413 7.847 9.335 1.00 4.70 H new ATOM 924 N LYS A 63 12.072 4.063 3.201 1.00 0.64 N ATOM 925 CA LYS A 63 12.918 3.509 2.150 1.00 0.71 C ATOM 926 C LYS A 63 12.211 2.371 1.421 1.00 0.63 C ATOM 927 O LYS A 63 12.374 2.202 0.213 1.00 0.73 O ATOM 928 CB LYS A 63 14.247 3.020 2.732 1.00 0.88 C ATOM 929 CG LYS A 63 14.091 2.006 3.854 1.00 0.88 C ATOM 930 CD LYS A 63 15.444 1.556 4.385 1.00 1.10 C ATOM 931 CE LYS A 63 16.304 2.742 4.792 1.00 1.67 C ATOM 932 NZ LYS A 63 17.609 2.312 5.367 1.00 2.28 N ATOM 0 H LYS A 63 12.255 3.689 4.132 1.00 0.64 H new ATOM 0 HA LYS A 63 13.121 4.302 1.430 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.841 2.575 1.933 1.00 0.88 H new ATOM 0 HB3 LYS A 63 14.807 3.878 3.105 1.00 0.88 H new ATOM 0 HG2 LYS A 63 13.507 2.444 4.664 1.00 0.88 H new ATOM 0 HG3 LYS A 63 13.535 1.142 3.491 1.00 0.88 H new ATOM 0 HD2 LYS A 63 15.299 0.899 5.242 1.00 1.10 H new ATOM 0 HD3 LYS A 63 15.961 0.975 3.621 1.00 1.10 H new ATOM 0 HE2 LYS A 63 16.482 3.376 3.924 1.00 1.67 H new ATOM 0 HE3 LYS A 63 15.767 3.346 5.523 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 18.165 3.150 5.631 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 17.441 1.728 6.211 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 18.134 1.757 4.661 1.00 2.28 H new ATOM 942 N ASP A 64 11.423 1.596 2.160 1.00 0.54 N ATOM 943 CA ASP A 64 10.689 0.481 1.575 1.00 0.54 C ATOM 944 C ASP A 64 9.705 0.976 0.519 1.00 0.46 C ATOM 945 O ASP A 64 9.415 0.276 -0.450 1.00 0.56 O ATOM 946 CB ASP A 64 9.942 -0.296 2.660 1.00 0.56 C ATOM 947 CG ASP A 64 10.882 -0.989 3.628 1.00 1.38 C ATOM 948 OD1 ASP A 64 11.351 -0.325 4.576 1.00 1.49 O ATOM 949 OD2 ASP A 64 11.151 -2.192 3.435 1.00 2.30 O ATOM 0 H ASP A 64 11.277 1.720 3.162 1.00 0.54 H new ATOM 0 HA ASP A 64 11.409 -0.183 1.096 1.00 0.54 H new ATOM 0 HB2 ASP A 64 9.296 0.387 3.212 1.00 0.56 H new ATOM 0 HB3 ASP A 64 9.296 -1.038 2.191 1.00 0.56 H new ATOM 953 N LEU A 65 9.197 2.188 0.717 1.00 0.39 N ATOM 954 CA LEU A 65 8.250 2.785 -0.209 1.00 0.41 C ATOM 955 C LEU A 65 8.956 3.294 -1.462 1.00 0.45 C ATOM 956 O LEU A 65 8.346 3.411 -2.526 1.00 0.52 O ATOM 957 CB LEU A 65 7.516 3.934 0.475 1.00 0.51 C ATOM 958 CG LEU A 65 6.365 3.515 1.392 1.00 0.49 C ATOM 959 CD1 LEU A 65 5.961 4.668 2.297 1.00 0.67 C ATOM 960 CD2 LEU A 65 5.177 3.041 0.572 1.00 0.70 C ATOM 0 H LEU A 65 9.429 2.777 1.517 1.00 0.39 H new ATOM 0 HA LEU A 65 7.533 2.020 -0.508 1.00 0.41 H new ATOM 0 HB2 LEU A 65 8.235 4.507 1.060 1.00 0.51 H new ATOM 0 HB3 LEU A 65 7.124 4.602 -0.292 1.00 0.51 H new ATOM 0 HG LEU A 65 6.704 2.688 2.016 1.00 0.49 H new ATOM 0 HD11 LEU A 65 5.141 4.354 2.943 1.00 0.67 H new ATOM 0 HD12 LEU A 65 6.812 4.965 2.910 1.00 0.67 H new ATOM 0 HD13 LEU A 65 5.640 5.513 1.688 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.368 2.747 1.240 1.00 0.70 H new ATOM 0 HD22 LEU A 65 4.837 3.849 -0.076 1.00 0.70 H new ATOM 0 HD23 LEU A 65 5.473 2.187 -0.037 1.00 0.70 H new ATOM 971 N ALA A 66 10.242 3.596 -1.328 1.00 0.46 N ATOM 972 CA ALA A 66 11.031 4.093 -2.448 1.00 0.52 C ATOM 973 C ALA A 66 11.102 3.068 -3.575 1.00 0.50 C ATOM 974 O ALA A 66 11.188 3.429 -4.748 1.00 0.66 O ATOM 975 CB ALA A 66 12.431 4.461 -1.980 1.00 0.60 C ATOM 0 H ALA A 66 10.761 3.505 -0.454 1.00 0.46 H new ATOM 0 HA ALA A 66 10.539 4.984 -2.838 1.00 0.52 H new ATOM 0 HB1 ALA A 66 13.012 4.831 -2.825 1.00 0.60 H new ATOM 0 HB2 ALA A 66 12.367 5.236 -1.216 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.919 3.580 -1.563 1.00 0.60 H new ATOM 981 N LEU A 67 11.062 1.790 -3.214 1.00 0.37 N ATOM 982 CA LEU A 67 11.131 0.716 -4.199 1.00 0.35 C ATOM 983 C LEU A 67 9.742 0.339 -4.709 1.00 0.31 C ATOM 984 O LEU A 67 9.475 0.408 -5.908 1.00 0.30 O ATOM 985 CB LEU A 67 11.819 -0.509 -3.598 1.00 0.38 C ATOM 986 CG LEU A 67 13.276 -0.294 -3.185 1.00 0.43 C ATOM 987 CD1 LEU A 67 13.865 -1.577 -2.621 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.097 0.197 -4.369 1.00 0.47 C ATOM 0 H LEU A 67 10.982 1.472 -2.248 1.00 0.37 H new ATOM 0 HA LEU A 67 11.715 1.076 -5.046 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.253 -0.833 -2.724 1.00 0.38 H new ATOM 0 HB3 LEU A 67 11.779 -1.322 -4.323 1.00 0.38 H new ATOM 0 HG LEU A 67 13.306 0.468 -2.406 1.00 0.43 H new ATOM 0 HD11 LEU A 67 14.902 -1.405 -2.333 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.292 -1.887 -1.747 1.00 0.48 H new ATOM 0 HD13 LEU A 67 13.824 -2.360 -3.378 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.131 0.345 -4.058 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.061 -0.543 -5.169 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.688 1.141 -4.729 1.00 0.47 H new ATOM 999 N ILE A 68 8.860 -0.056 -3.795 1.00 0.31 N ATOM 1000 CA ILE A 68 7.506 -0.447 -4.167 1.00 0.30 C ATOM 1001 C ILE A 68 6.724 0.734 -4.724 1.00 0.30 C ATOM 1002 O ILE A 68 6.958 1.882 -4.346 1.00 0.37 O ATOM 1003 CB ILE A 68 6.735 -1.031 -2.968 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.551 0.030 -1.880 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.467 -2.242 -2.414 1.00 0.38 C ATOM 1006 CD1 ILE A 68 5.777 -0.463 -0.676 1.00 0.43 C ATOM 0 H ILE A 68 9.058 -0.113 -2.796 1.00 0.31 H new ATOM 0 HA ILE A 68 7.604 -1.213 -4.936 1.00 0.30 H new ATOM 0 HB ILE A 68 5.748 -1.346 -3.308 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.531 0.377 -1.554 1.00 0.38 H new ATOM 0 HG13 ILE A 68 6.034 0.890 -2.306 1.00 0.38 H new ATOM 0 HG21 ILE A 68 6.913 -2.646 -1.567 1.00 0.38 H new ATOM 0 HG22 ILE A 68 7.550 -3.003 -3.190 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.464 -1.946 -2.087 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.686 0.342 0.053 1.00 0.43 H new ATOM 0 HD12 ILE A 68 4.783 -0.783 -0.989 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.304 -1.304 -0.224 1.00 0.43 H new ATOM 1017 N GLU A 69 5.794 0.446 -5.629 1.00 0.29 N ATOM 1018 CA GLU A 69 4.978 1.485 -6.239 1.00 0.32 C ATOM 1019 C GLU A 69 3.537 1.395 -5.747 1.00 0.31 C ATOM 1020 O GLU A 69 3.061 0.319 -5.385 1.00 0.37 O ATOM 1021 CB GLU A 69 5.015 1.363 -7.764 1.00 0.34 C ATOM 1022 CG GLU A 69 4.497 2.599 -8.485 1.00 0.44 C ATOM 1023 CD GLU A 69 5.337 3.831 -8.208 1.00 1.30 C ATOM 1024 OE1 GLU A 69 5.190 4.416 -7.115 1.00 2.29 O ATOM 1025 OE2 GLU A 69 6.142 4.209 -9.085 1.00 1.26 O ATOM 0 H GLU A 69 5.588 -0.498 -5.955 1.00 0.29 H new ATOM 0 HA GLU A 69 5.387 2.453 -5.950 1.00 0.32 H new ATOM 0 HB2 GLU A 69 6.040 1.171 -8.080 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.421 0.500 -8.066 1.00 0.34 H new ATOM 0 HG2 GLU A 69 4.481 2.409 -9.558 1.00 0.44 H new ATOM 0 HG3 GLU A 69 3.468 2.789 -8.179 1.00 0.44 H new ATOM 1030 N LEU A 70 2.852 2.532 -5.725 1.00 0.32 N ATOM 1031 CA LEU A 70 1.464 2.577 -5.282 1.00 0.33 C ATOM 1032 C LEU A 70 0.556 3.067 -6.405 1.00 0.33 C ATOM 1033 O LEU A 70 0.965 3.871 -7.242 1.00 0.45 O ATOM 1034 CB LEU A 70 1.319 3.487 -4.060 1.00 0.38 C ATOM 1035 CG LEU A 70 1.954 2.961 -2.770 1.00 0.95 C ATOM 1036 CD1 LEU A 70 1.505 1.534 -2.498 1.00 1.25 C ATOM 1037 CD2 LEU A 70 3.471 3.041 -2.846 1.00 1.85 C ATOM 0 H LEU A 70 3.234 3.434 -6.008 1.00 0.32 H new ATOM 0 HA LEU A 70 1.165 1.566 -5.006 1.00 0.33 H new ATOM 0 HB2 LEU A 70 1.762 4.455 -4.294 1.00 0.38 H new ATOM 0 HB3 LEU A 70 0.258 3.658 -3.879 1.00 0.38 H new ATOM 0 HG LEU A 70 1.621 3.589 -1.944 1.00 0.95 H new ATOM 0 HD11 LEU A 70 1.966 1.177 -1.577 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.420 1.507 -2.395 1.00 1.25 H new ATOM 0 HD13 LEU A 70 1.806 0.894 -3.327 1.00 1.25 H new ATOM 0 HD21 LEU A 70 3.902 2.662 -1.919 1.00 1.85 H new ATOM 0 HD22 LEU A 70 3.826 2.440 -3.683 1.00 1.85 H new ATOM 0 HD23 LEU A 70 3.774 4.078 -2.990 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.678 2.572 -6.421 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.645 2.961 -7.440 1.00 0.38 C ATOM 1050 C GLU A 71 -3.017 3.202 -6.822 1.00 0.37 C ATOM 1051 O GLU A 71 -3.407 2.526 -5.870 1.00 0.52 O ATOM 1052 CB GLU A 71 -1.744 1.883 -8.520 1.00 0.47 C ATOM 1053 CG GLU A 71 -2.746 2.209 -9.617 1.00 0.54 C ATOM 1054 CD GLU A 71 -2.854 1.109 -10.654 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -2.093 1.149 -11.644 1.00 1.26 O ATOM 1056 OE2 GLU A 71 -3.699 0.206 -10.476 1.00 2.24 O ATOM 0 H GLU A 71 -1.031 1.901 -5.739 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.301 3.890 -7.895 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -0.761 1.739 -8.969 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -2.023 0.938 -8.054 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -3.726 2.379 -9.170 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -2.453 3.138 -10.107 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.744 4.169 -7.369 1.00 0.45 N ATOM 1062 CA ALA A 72 -5.074 4.494 -6.872 1.00 0.52 C ATOM 1063 C ALA A 72 -5.949 3.249 -6.803 1.00 0.44 C ATOM 1064 O ALA A 72 -5.560 2.180 -7.275 1.00 0.53 O ATOM 1065 CB ALA A 72 -5.722 5.549 -7.756 1.00 0.76 C ATOM 0 H ALA A 72 -3.435 4.740 -8.155 1.00 0.45 H new ATOM 0 HA ALA A 72 -4.974 4.893 -5.863 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -6.716 5.783 -7.374 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -5.110 6.451 -7.754 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -5.805 5.169 -8.774 1.00 0.76 H new ATOM 1071 N VAL A 73 -7.130 3.391 -6.212 1.00 0.58 N ATOM 1072 CA VAL A 73 -8.056 2.274 -6.082 1.00 0.64 C ATOM 1073 C VAL A 73 -9.100 2.291 -7.191 1.00 0.83 C ATOM 1074 O VAL A 73 -9.245 3.282 -7.908 1.00 0.99 O ATOM 1075 CB VAL A 73 -8.774 2.290 -4.720 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -7.768 2.184 -3.584 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -9.622 3.545 -4.575 1.00 1.16 C ATOM 0 H VAL A 73 -7.468 4.268 -5.816 1.00 0.58 H new ATOM 0 HA VAL A 73 -7.461 1.364 -6.160 1.00 0.64 H new ATOM 0 HB VAL A 73 -9.436 1.426 -4.671 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -8.294 2.197 -2.630 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -7.210 1.252 -3.678 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -7.078 3.027 -3.629 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -10.121 3.537 -3.606 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -8.984 4.426 -4.647 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -10.370 3.573 -5.368 1.00 1.16 H new