USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 577 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 63 THR OG1 : rot 70:sc= 0.978 USER MOD Set 1.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 41 SER OG : rot 128:sc=0.000583 USER MOD Set 2.2: A 54 TYR OH : rot 180:sc=0.000591 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 152:sc= -0.0559 (180deg=-0.534) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -171:sc= -1.67! USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 26 SER OG : rot -0:sc= 0.911 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.0278 X(o=0.028,f=-0.3) USER MOD Single : A 37 TYR OH : rot 96:sc= 0.65 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0288 USER MOD Single : A 39 SER OG : rot -116:sc= -0.904 USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.0177 (180deg=-0.352) USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= -1.54 (180deg=-3.4!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.785 USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= 0.0354 (180deg=-1.56!) USER MOD Single : A 50 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.56) USER MOD Single : A 58 SER OG : rot -20:sc= 0.665 USER MOD Single : A 59 MET CE :methyl 158:sc= -0.128 (180deg=-0.94) USER MOD Single : A 62 SER OG : rot 56:sc= 0.241 USER MOD Single : A 68 THR OG1 : rot -171:sc= -1.91 USER MOD Single : A 70 LYS NZ :NH3+ -126:sc= -0.456 (180deg=-1.68) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.872 8.046 -8.739 1.00 0.00 N ATOM 2 CA GLY A 1 -19.066 9.293 -8.374 1.00 0.00 C ATOM 3 C GLY A 1 -19.164 9.851 -6.996 1.00 0.00 C ATOM 4 O GLY A 1 -18.285 10.550 -6.535 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.689 7.793 -9.731 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.590 7.257 -8.123 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.886 8.239 -8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.016 9.070 -8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.354 10.083 -9.068 1.00 0.00 H new ATOM 10 N SER A 2 -20.231 9.560 -6.302 1.00 0.00 N ATOM 11 CA SER A 2 -20.387 10.090 -4.918 1.00 0.00 C ATOM 12 C SER A 2 -19.270 9.538 -4.032 1.00 0.00 C ATOM 13 O SER A 2 -18.677 10.252 -3.246 1.00 0.00 O ATOM 14 CB SER A 2 -21.742 9.657 -4.358 1.00 0.00 C ATOM 15 OG SER A 2 -21.914 10.217 -3.061 1.00 0.00 O ATOM 0 H SER A 2 -21.001 8.979 -6.634 1.00 0.00 H new ATOM 0 HA SER A 2 -20.331 11.178 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.544 9.987 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.797 8.570 -4.308 1.00 0.00 H new ATOM 0 HG SER A 2 -22.782 9.943 -2.699 1.00 0.00 H new ATOM 21 N MET A 3 -18.975 8.272 -4.151 1.00 0.00 N ATOM 22 CA MET A 3 -17.900 7.675 -3.310 1.00 0.00 C ATOM 23 C MET A 3 -16.931 6.896 -4.200 1.00 0.00 C ATOM 24 O MET A 3 -17.000 5.687 -4.302 1.00 0.00 O ATOM 25 CB MET A 3 -18.523 6.727 -2.282 1.00 0.00 C ATOM 26 CG MET A 3 -17.430 6.179 -1.363 1.00 0.00 C ATOM 27 SD MET A 3 -17.725 6.749 0.330 1.00 0.00 S ATOM 28 CE MET A 3 -19.237 5.801 0.627 1.00 0.00 C ATOM 0 H MET A 3 -19.432 7.626 -4.794 1.00 0.00 H new ATOM 0 HA MET A 3 -17.361 8.468 -2.792 1.00 0.00 H new ATOM 0 HB2 MET A 3 -19.275 7.254 -1.695 1.00 0.00 H new ATOM 0 HB3 MET A 3 -19.031 5.907 -2.789 1.00 0.00 H new ATOM 0 HG2 MET A 3 -17.425 5.090 -1.396 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.451 6.513 -1.705 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.331 5.591 1.692 1.00 0.00 H new ATOM 0 HE2 MET A 3 -20.100 6.378 0.293 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.192 4.862 0.075 1.00 0.00 H new ATOM 38 N GLU A 4 -16.025 7.580 -4.846 1.00 0.00 N ATOM 39 CA GLU A 4 -15.044 6.876 -5.720 1.00 0.00 C ATOM 40 C GLU A 4 -13.751 6.630 -4.942 1.00 0.00 C ATOM 41 O GLU A 4 -13.228 7.514 -4.293 1.00 0.00 O ATOM 42 CB GLU A 4 -14.746 7.740 -6.947 1.00 0.00 C ATOM 43 CG GLU A 4 -13.818 6.978 -7.896 1.00 0.00 C ATOM 44 CD GLU A 4 -13.520 7.841 -9.123 1.00 0.00 C ATOM 45 OE1 GLU A 4 -14.210 8.831 -9.309 1.00 0.00 O ATOM 46 OE2 GLU A 4 -12.609 7.498 -9.858 1.00 0.00 O ATOM 0 H GLU A 4 -15.922 8.594 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.461 5.921 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.674 7.997 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.281 8.677 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.890 6.721 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.283 6.041 -8.202 1.00 0.00 H new ATOM 53 N ARG A 5 -13.230 5.435 -5.003 1.00 0.00 N ATOM 54 CA ARG A 5 -11.973 5.132 -4.262 1.00 0.00 C ATOM 55 C ARG A 5 -10.769 5.427 -5.160 1.00 0.00 C ATOM 56 O ARG A 5 -10.693 4.969 -6.282 1.00 0.00 O ATOM 57 CB ARG A 5 -11.960 3.656 -3.861 1.00 0.00 C ATOM 58 CG ARG A 5 -13.073 3.395 -2.844 1.00 0.00 C ATOM 59 CD ARG A 5 -13.091 1.909 -2.477 1.00 0.00 C ATOM 60 NE ARG A 5 -14.180 1.653 -1.495 1.00 0.00 N ATOM 61 CZ ARG A 5 -13.935 1.728 -0.215 1.00 0.00 C ATOM 62 NH1 ARG A 5 -12.736 2.025 0.204 1.00 0.00 N ATOM 63 NH2 ARG A 5 -14.891 1.504 0.647 1.00 0.00 N ATOM 0 H ARG A 5 -13.620 4.656 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.920 5.752 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.101 3.028 -4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.993 3.393 -3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.913 3.999 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.037 3.690 -3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.244 1.305 -3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.130 1.616 -2.055 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.117 1.419 -1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.989 2.199 -0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.545 2.083 1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.828 1.271 0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.700 1.563 1.647 1.00 0.00 H new ATOM 77 N LYS A 6 -9.828 6.189 -4.674 1.00 0.00 N ATOM 78 CA LYS A 6 -8.628 6.510 -5.499 1.00 0.00 C ATOM 79 C LYS A 6 -7.731 5.274 -5.596 1.00 0.00 C ATOM 80 O LYS A 6 -7.740 4.418 -4.733 1.00 0.00 O ATOM 81 CB LYS A 6 -7.849 7.654 -4.845 1.00 0.00 C ATOM 82 CG LYS A 6 -8.720 8.911 -4.815 1.00 0.00 C ATOM 83 CD LYS A 6 -8.263 9.821 -3.674 1.00 0.00 C ATOM 84 CE LYS A 6 -9.104 11.100 -3.672 1.00 0.00 C ATOM 85 NZ LYS A 6 -8.660 11.984 -2.557 1.00 0.00 N ATOM 0 H LYS A 6 -9.838 6.603 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.944 6.810 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.556 7.377 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.931 7.848 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.649 9.439 -5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.767 8.638 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.365 9.304 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.208 10.067 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.999 11.618 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.160 10.854 -3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.231 12.853 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.781 11.488 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.657 12.229 -2.686 1.00 0.00 H new ATOM 99 N ARG A 7 -6.957 5.171 -6.642 1.00 0.00 N ATOM 100 CA ARG A 7 -6.072 3.983 -6.801 1.00 0.00 C ATOM 101 C ARG A 7 -4.810 4.385 -7.566 1.00 0.00 C ATOM 102 O ARG A 7 -4.859 5.162 -8.499 1.00 0.00 O ATOM 103 CB ARG A 7 -6.816 2.895 -7.579 1.00 0.00 C ATOM 104 CG ARG A 7 -7.175 3.418 -8.972 1.00 0.00 C ATOM 105 CD ARG A 7 -7.917 2.330 -9.752 1.00 0.00 C ATOM 106 NE ARG A 7 -8.262 2.839 -11.107 1.00 0.00 N ATOM 107 CZ ARG A 7 -7.352 2.879 -12.042 1.00 0.00 C ATOM 108 NH1 ARG A 7 -6.138 2.471 -11.788 1.00 0.00 N ATOM 109 NH2 ARG A 7 -7.655 3.325 -13.230 1.00 0.00 N ATOM 0 H ARG A 7 -6.900 5.859 -7.393 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.794 3.602 -5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.194 2.003 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.720 2.604 -7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.798 4.309 -8.888 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.271 3.710 -9.506 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.295 1.438 -9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.823 2.039 -9.220 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.211 3.157 -11.305 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.901 2.121 -10.860 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.426 2.502 -12.518 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.604 3.643 -13.429 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.943 3.356 -13.960 1.00 0.00 H new ATOM 123 N TRP A 8 -3.679 3.862 -7.179 1.00 0.00 N ATOM 124 CA TRP A 8 -2.415 4.216 -7.885 1.00 0.00 C ATOM 125 C TRP A 8 -1.462 3.020 -7.857 1.00 0.00 C ATOM 126 O TRP A 8 -1.202 2.446 -6.817 1.00 0.00 O ATOM 127 CB TRP A 8 -1.757 5.409 -7.186 1.00 0.00 C ATOM 128 CG TRP A 8 -2.660 6.599 -7.275 1.00 0.00 C ATOM 129 CD1 TRP A 8 -3.192 7.085 -8.419 1.00 0.00 C ATOM 130 CD2 TRP A 8 -3.143 7.456 -6.200 1.00 0.00 C ATOM 131 NE1 TRP A 8 -3.972 8.188 -8.116 1.00 0.00 N ATOM 132 CE2 TRP A 8 -3.974 8.455 -6.760 1.00 0.00 C ATOM 133 CE3 TRP A 8 -2.945 7.464 -4.808 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -4.584 9.429 -5.968 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.558 8.441 -4.008 1.00 0.00 C ATOM 136 CH2 TRP A 8 -4.376 9.421 -4.587 1.00 0.00 C ATOM 0 H TRP A 8 -3.575 3.205 -6.405 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.638 4.478 -8.919 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.557 5.168 -6.142 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.797 5.632 -7.651 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.034 6.679 -9.407 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.482 8.736 -8.808 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.317 6.713 -4.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.212 10.183 -6.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.398 8.438 -2.940 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.845 10.169 -3.966 1.00 0.00 H new ATOM 147 N GLU A 9 -0.939 2.640 -8.990 1.00 0.00 N ATOM 148 CA GLU A 9 0.005 1.488 -9.026 1.00 0.00 C ATOM 149 C GLU A 9 1.444 2.009 -9.071 1.00 0.00 C ATOM 150 O GLU A 9 1.794 2.819 -9.906 1.00 0.00 O ATOM 151 CB GLU A 9 -0.270 0.639 -10.268 1.00 0.00 C ATOM 152 CG GLU A 9 -1.764 0.680 -10.592 1.00 0.00 C ATOM 153 CD GLU A 9 -2.560 0.131 -9.407 1.00 0.00 C ATOM 154 OE1 GLU A 9 -1.954 -0.490 -8.549 1.00 0.00 O ATOM 155 OE2 GLU A 9 -3.761 0.340 -9.377 1.00 0.00 O ATOM 0 H GLU A 9 -1.125 3.078 -9.893 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.133 0.878 -8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.307 1.014 -11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.048 -0.389 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.072 1.703 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.969 0.090 -11.486 1.00 0.00 H new ATOM 162 N CYS A 10 2.280 1.550 -8.180 1.00 0.00 N ATOM 163 CA CYS A 10 3.693 2.027 -8.169 1.00 0.00 C ATOM 164 C CYS A 10 4.597 0.952 -8.773 1.00 0.00 C ATOM 165 O CYS A 10 4.485 -0.216 -8.459 1.00 0.00 O ATOM 166 CB CYS A 10 4.123 2.308 -6.729 1.00 0.00 C ATOM 167 SG CYS A 10 5.929 2.431 -6.652 1.00 0.00 S ATOM 0 H CYS A 10 2.047 0.866 -7.460 1.00 0.00 H new ATOM 0 HA CYS A 10 3.775 2.941 -8.757 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.669 3.234 -6.377 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.774 1.512 -6.072 1.00 0.00 H new ATOM 0 HG CYS A 10 6.308 2.481 -5.409 1.00 0.00 H new ATOM 173 N PRO A 11 5.493 1.351 -9.635 1.00 0.00 N ATOM 174 CA PRO A 11 6.438 0.417 -10.310 1.00 0.00 C ATOM 175 C PRO A 11 7.476 -0.156 -9.341 1.00 0.00 C ATOM 176 O PRO A 11 8.161 -1.114 -9.644 1.00 0.00 O ATOM 177 CB PRO A 11 7.118 1.288 -11.368 1.00 0.00 C ATOM 178 CG PRO A 11 6.979 2.692 -10.877 1.00 0.00 C ATOM 179 CD PRO A 11 5.697 2.744 -10.061 1.00 0.00 C ATOM 0 HA PRO A 11 5.923 -0.449 -10.726 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.167 1.015 -11.486 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.645 1.164 -12.342 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.837 2.976 -10.268 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.935 3.391 -11.712 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.794 3.413 -9.206 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.859 3.107 -10.656 1.00 0.00 H new ATOM 187 N ALA A 12 7.599 0.421 -8.178 1.00 0.00 N ATOM 188 CA ALA A 12 8.590 -0.092 -7.191 1.00 0.00 C ATOM 189 C ALA A 12 8.133 -1.456 -6.672 1.00 0.00 C ATOM 190 O ALA A 12 8.936 -2.328 -6.399 1.00 0.00 O ATOM 191 CB ALA A 12 8.698 0.887 -6.020 1.00 0.00 C ATOM 0 H ALA A 12 7.055 1.227 -7.868 1.00 0.00 H new ATOM 0 HA ALA A 12 9.563 -0.192 -7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.423 0.512 -5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.023 1.860 -6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.725 0.987 -5.539 1.00 0.00 H new ATOM 197 N LEU A 13 6.850 -1.652 -6.535 1.00 0.00 N ATOM 198 CA LEU A 13 6.344 -2.961 -6.036 1.00 0.00 C ATOM 199 C LEU A 13 6.077 -3.889 -7.222 1.00 0.00 C ATOM 200 O LEU A 13 5.756 -3.447 -8.309 1.00 0.00 O ATOM 201 CB LEU A 13 5.045 -2.743 -5.257 1.00 0.00 C ATOM 202 CG LEU A 13 5.363 -2.120 -3.897 1.00 0.00 C ATOM 203 CD1 LEU A 13 6.031 -3.164 -3.000 1.00 0.00 C ATOM 204 CD2 LEU A 13 6.312 -0.935 -4.090 1.00 0.00 C ATOM 0 H LEU A 13 6.130 -0.961 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 13 7.089 -3.413 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.376 -2.092 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.526 -3.692 -5.122 1.00 0.00 H new ATOM 0 HG LEU A 13 4.440 -1.777 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.257 -2.720 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.358 -4.010 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.954 -3.507 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.540 -0.490 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.235 -1.280 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.838 -0.190 -4.729 1.00 0.00 H new ATOM 216 N PRO A 14 6.210 -5.170 -7.010 1.00 0.00 N ATOM 217 CA PRO A 14 5.985 -6.192 -8.074 1.00 0.00 C ATOM 218 C PRO A 14 4.534 -6.209 -8.563 1.00 0.00 C ATOM 219 O PRO A 14 3.630 -5.790 -7.869 1.00 0.00 O ATOM 220 CB PRO A 14 6.334 -7.515 -7.389 1.00 0.00 C ATOM 221 CG PRO A 14 6.225 -7.246 -5.925 1.00 0.00 C ATOM 222 CD PRO A 14 6.589 -5.785 -5.730 1.00 0.00 C ATOM 0 HA PRO A 14 6.585 -5.991 -8.961 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.651 -8.307 -7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.340 -7.841 -7.654 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.215 -7.446 -5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.897 -7.892 -5.360 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.046 -5.343 -4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.652 -5.659 -5.522 1.00 0.00 H new ATOM 230 N GLN A 15 4.305 -6.692 -9.753 1.00 0.00 N ATOM 231 CA GLN A 15 2.915 -6.730 -10.287 1.00 0.00 C ATOM 232 C GLN A 15 2.003 -7.440 -9.284 1.00 0.00 C ATOM 233 O GLN A 15 2.284 -8.537 -8.844 1.00 0.00 O ATOM 234 CB GLN A 15 2.899 -7.488 -11.616 1.00 0.00 C ATOM 235 CG GLN A 15 1.460 -7.599 -12.125 1.00 0.00 C ATOM 236 CD GLN A 15 1.451 -8.299 -13.484 1.00 0.00 C ATOM 237 OE1 GLN A 15 2.461 -8.355 -14.159 1.00 0.00 O ATOM 238 NE2 GLN A 15 0.346 -8.839 -13.919 1.00 0.00 N ATOM 0 H GLN A 15 5.021 -7.062 -10.379 1.00 0.00 H new ATOM 0 HA GLN A 15 2.559 -5.712 -10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.516 -6.969 -12.350 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.327 -8.482 -11.485 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.853 -8.158 -11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.017 -6.607 -12.212 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.502 -8.792 -13.353 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.330 -9.308 -14.825 1.00 0.00 H new ATOM 247 N GLY A 16 0.911 -6.824 -8.921 1.00 0.00 N ATOM 248 CA GLY A 16 -0.019 -7.467 -7.951 1.00 0.00 C ATOM 249 C GLY A 16 -0.254 -6.528 -6.766 1.00 0.00 C ATOM 250 O GLY A 16 -1.255 -6.614 -6.083 1.00 0.00 O ATOM 0 H GLY A 16 0.623 -5.904 -9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.966 -7.698 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.399 -8.411 -7.602 1.00 0.00 H new ATOM 254 N TRP A 17 0.660 -5.630 -6.519 1.00 0.00 N ATOM 255 CA TRP A 17 0.485 -4.682 -5.382 1.00 0.00 C ATOM 256 C TRP A 17 -0.300 -3.458 -5.857 1.00 0.00 C ATOM 257 O TRP A 17 -0.144 -3.002 -6.973 1.00 0.00 O ATOM 258 CB TRP A 17 1.857 -4.242 -4.870 1.00 0.00 C ATOM 259 CG TRP A 17 2.520 -5.386 -4.173 1.00 0.00 C ATOM 260 CD1 TRP A 17 3.034 -6.477 -4.785 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.747 -5.573 -2.745 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.563 -7.321 -3.825 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.410 -6.807 -2.552 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.447 -4.796 -1.612 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.763 -7.257 -1.280 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.799 -5.248 -0.328 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.455 -6.476 -0.163 1.00 0.00 C ATOM 0 H TRP A 17 1.520 -5.512 -7.055 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.061 -5.174 -4.578 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.475 -3.901 -5.701 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.749 -3.400 -4.187 1.00 0.00 H new ATOM 0 HD1 TRP A 17 3.032 -6.660 -5.849 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.011 -8.214 -4.032 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.944 -3.848 -1.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.271 -8.202 -1.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.563 -4.645 0.537 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.722 -6.818 0.826 1.00 0.00 H new ATOM 278 N GLU A 18 -1.144 -2.922 -5.018 1.00 0.00 N ATOM 279 CA GLU A 18 -1.944 -1.733 -5.425 1.00 0.00 C ATOM 280 C GLU A 18 -2.107 -0.792 -4.228 1.00 0.00 C ATOM 281 O GLU A 18 -2.010 -1.200 -3.089 1.00 0.00 O ATOM 282 CB GLU A 18 -3.324 -2.187 -5.906 1.00 0.00 C ATOM 283 CG GLU A 18 -3.168 -3.071 -7.145 1.00 0.00 C ATOM 284 CD GLU A 18 -4.547 -3.524 -7.627 1.00 0.00 C ATOM 285 OE1 GLU A 18 -5.526 -3.124 -7.019 1.00 0.00 O ATOM 286 OE2 GLU A 18 -4.601 -4.260 -8.598 1.00 0.00 O ATOM 0 H GLU A 18 -1.314 -3.256 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.431 -1.210 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.833 -2.738 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.942 -1.320 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.658 -2.520 -7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.550 -3.938 -6.911 1.00 0.00 H new ATOM 293 N ARG A 19 -2.352 0.464 -4.479 1.00 0.00 N ATOM 294 CA ARG A 19 -2.542 1.425 -3.356 1.00 0.00 C ATOM 295 C ARG A 19 -3.833 2.217 -3.576 1.00 0.00 C ATOM 296 O ARG A 19 -4.061 2.769 -4.633 1.00 0.00 O ATOM 297 CB ARG A 19 -1.354 2.391 -3.305 1.00 0.00 C ATOM 298 CG ARG A 19 -0.066 1.633 -3.634 1.00 0.00 C ATOM 299 CD ARG A 19 1.133 2.566 -3.455 1.00 0.00 C ATOM 300 NE ARG A 19 2.377 1.861 -3.875 1.00 0.00 N ATOM 301 CZ ARG A 19 3.017 1.104 -3.027 1.00 0.00 C ATOM 302 NH1 ARG A 19 2.567 0.963 -1.810 1.00 0.00 N ATOM 303 NH2 ARG A 19 4.107 0.488 -3.396 1.00 0.00 N ATOM 0 H ARG A 19 -2.429 0.867 -5.413 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.607 0.877 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.502 3.204 -4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.281 2.842 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.034 0.765 -2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.101 1.261 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.996 3.470 -4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.213 2.878 -2.414 1.00 0.00 H new ATOM 0 HE ARG A 19 2.728 1.970 -4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.715 1.445 -1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.067 0.371 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.458 0.599 -4.347 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.608 -0.104 -2.733 1.00 0.00 H new ATOM 317 N GLU A 20 -4.679 2.277 -2.584 1.00 0.00 N ATOM 318 CA GLU A 20 -5.960 3.021 -2.743 1.00 0.00 C ATOM 319 C GLU A 20 -6.193 3.906 -1.516 1.00 0.00 C ATOM 320 O GLU A 20 -5.924 3.516 -0.397 1.00 0.00 O ATOM 321 CB GLU A 20 -7.114 2.028 -2.881 1.00 0.00 C ATOM 322 CG GLU A 20 -6.905 1.172 -4.132 1.00 0.00 C ATOM 323 CD GLU A 20 -8.028 0.140 -4.238 1.00 0.00 C ATOM 324 OE1 GLU A 20 -8.902 0.154 -3.386 1.00 0.00 O ATOM 325 OE2 GLU A 20 -7.997 -0.649 -5.169 1.00 0.00 O ATOM 0 H GLU A 20 -4.538 1.843 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.908 3.644 -3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.168 1.392 -1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.062 2.563 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.893 1.804 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.939 0.670 -4.085 1.00 0.00 H new ATOM 332 N GLU A 21 -6.689 5.096 -1.717 1.00 0.00 N ATOM 333 CA GLU A 21 -6.968 5.993 -0.561 1.00 0.00 C ATOM 334 C GLU A 21 -8.475 6.033 -0.300 1.00 0.00 C ATOM 335 O GLU A 21 -9.275 5.904 -1.206 1.00 0.00 O ATOM 336 CB GLU A 21 -6.467 7.404 -0.877 1.00 0.00 C ATOM 337 CG GLU A 21 -6.735 8.322 0.318 1.00 0.00 C ATOM 338 CD GLU A 21 -6.100 9.690 0.063 1.00 0.00 C ATOM 339 OE1 GLU A 21 -5.690 9.931 -1.060 1.00 0.00 O ATOM 340 OE2 GLU A 21 -6.035 10.473 0.995 1.00 0.00 O ATOM 0 H GLU A 21 -6.913 5.486 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.455 5.616 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.400 7.381 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.969 7.789 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.808 8.431 0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.325 7.882 1.227 1.00 0.00 H new ATOM 347 N VAL A 22 -8.870 6.211 0.930 1.00 0.00 N ATOM 348 CA VAL A 22 -10.327 6.246 1.247 1.00 0.00 C ATOM 349 C VAL A 22 -10.580 7.231 2.391 1.00 0.00 C ATOM 350 O VAL A 22 -9.998 7.124 3.452 1.00 0.00 O ATOM 351 CB VAL A 22 -10.792 4.851 1.664 1.00 0.00 C ATOM 352 CG1 VAL A 22 -12.320 4.788 1.627 1.00 0.00 C ATOM 353 CG2 VAL A 22 -10.216 3.812 0.698 1.00 0.00 C ATOM 0 H VAL A 22 -8.248 6.334 1.729 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.881 6.566 0.365 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.445 4.641 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.650 3.793 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.731 5.527 2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.668 4.999 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.547 2.817 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.563 4.024 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.127 3.855 0.724 1.00 0.00 H new ATOM 363 N PRO A 23 -11.447 8.180 2.171 1.00 0.00 N ATOM 364 CA PRO A 23 -11.807 9.199 3.196 1.00 0.00 C ATOM 365 C PRO A 23 -12.725 8.627 4.281 1.00 0.00 C ATOM 366 O PRO A 23 -13.663 7.909 3.999 1.00 0.00 O ATOM 367 CB PRO A 23 -12.537 10.277 2.392 1.00 0.00 C ATOM 368 CG PRO A 23 -13.110 9.568 1.208 1.00 0.00 C ATOM 369 CD PRO A 23 -12.182 8.384 0.912 1.00 0.00 C ATOM 0 HA PRO A 23 -10.930 9.570 3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.321 10.747 2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.853 11.068 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -14.123 9.223 1.416 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.171 10.236 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.747 7.495 0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.505 8.605 0.087 1.00 0.00 H new ATOM 377 N ARG A 24 -12.462 8.942 5.520 1.00 0.00 N ATOM 378 CA ARG A 24 -13.323 8.420 6.619 1.00 0.00 C ATOM 379 C ARG A 24 -14.746 8.959 6.453 1.00 0.00 C ATOM 380 O ARG A 24 -14.952 10.061 5.986 1.00 0.00 O ATOM 381 CB ARG A 24 -12.759 8.873 7.967 1.00 0.00 C ATOM 382 CG ARG A 24 -13.342 8.003 9.082 1.00 0.00 C ATOM 383 CD ARG A 24 -12.814 6.574 8.943 1.00 0.00 C ATOM 384 NE ARG A 24 -12.616 5.983 10.298 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.438 4.696 10.429 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.435 3.928 9.375 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.265 4.179 11.614 1.00 0.00 N ATOM 0 H ARG A 24 -11.689 9.537 5.818 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.341 7.331 6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.672 8.797 7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.004 9.920 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.069 8.410 10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.431 8.007 9.029 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.517 5.969 8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.873 6.575 8.394 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.620 6.584 11.122 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.572 4.333 8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.296 2.923 9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.269 4.780 12.438 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.126 3.174 11.716 1.00 0.00 H new ATOM 401 N ARG A 25 -15.729 8.189 6.831 1.00 0.00 N ATOM 402 CA ARG A 25 -17.137 8.656 6.693 1.00 0.00 C ATOM 403 C ARG A 25 -17.908 8.341 7.976 1.00 0.00 C ATOM 404 O ARG A 25 -18.787 9.076 8.380 1.00 0.00 O ATOM 405 CB ARG A 25 -17.799 7.940 5.512 1.00 0.00 C ATOM 406 CG ARG A 25 -19.136 8.610 5.192 1.00 0.00 C ATOM 407 CD ARG A 25 -19.754 7.952 3.957 1.00 0.00 C ATOM 408 NE ARG A 25 -20.978 8.700 3.555 1.00 0.00 N ATOM 409 CZ ARG A 25 -22.138 8.371 4.056 1.00 0.00 C ATOM 410 NH1 ARG A 25 -22.225 7.388 4.908 1.00 0.00 N ATOM 411 NH2 ARG A 25 -23.210 9.027 3.704 1.00 0.00 N ATOM 0 H ARG A 25 -15.618 7.257 7.229 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.147 9.732 6.518 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.146 7.974 4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -17.956 6.888 5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -19.812 8.520 6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -18.988 9.675 5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -19.035 7.944 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -20.004 6.913 4.172 1.00 0.00 H new ATOM 0 HE ARG A 25 -20.910 9.469 2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -21.387 6.876 5.183 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -23.131 7.131 5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -23.141 9.796 3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -24.116 8.770 4.095 1.00 0.00 H new ATOM 425 N SER A 26 -17.586 7.253 8.621 1.00 0.00 N ATOM 426 CA SER A 26 -18.306 6.890 9.874 1.00 0.00 C ATOM 427 C SER A 26 -17.298 6.417 10.923 1.00 0.00 C ATOM 428 O SER A 26 -16.791 5.315 10.857 1.00 0.00 O ATOM 429 CB SER A 26 -19.302 5.766 9.580 1.00 0.00 C ATOM 430 OG SER A 26 -18.590 4.564 9.324 1.00 0.00 O ATOM 0 H SER A 26 -16.856 6.601 8.335 1.00 0.00 H new ATOM 0 HA SER A 26 -18.841 7.761 10.252 1.00 0.00 H new ATOM 0 HB2 SER A 26 -19.975 5.630 10.426 1.00 0.00 H new ATOM 0 HB3 SER A 26 -19.919 6.027 8.720 1.00 0.00 H new ATOM 0 HG SER A 26 -17.627 4.734 9.388 1.00 0.00 H new ATOM 436 N GLY A 27 -17.004 7.241 11.891 1.00 0.00 N ATOM 437 CA GLY A 27 -16.028 6.840 12.942 1.00 0.00 C ATOM 438 C GLY A 27 -15.737 8.032 13.854 1.00 0.00 C ATOM 439 O GLY A 27 -16.161 9.141 13.595 1.00 0.00 O ATOM 0 H GLY A 27 -17.398 8.176 11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.428 6.011 13.526 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.105 6.489 12.480 1.00 0.00 H new ATOM 443 N LEU A 28 -15.019 7.814 14.921 1.00 0.00 N ATOM 444 CA LEU A 28 -14.697 8.937 15.845 1.00 0.00 C ATOM 445 C LEU A 28 -13.835 9.969 15.113 1.00 0.00 C ATOM 446 O LEU A 28 -14.038 11.161 15.237 1.00 0.00 O ATOM 447 CB LEU A 28 -13.930 8.401 17.055 1.00 0.00 C ATOM 448 CG LEU A 28 -13.556 9.560 17.980 1.00 0.00 C ATOM 449 CD1 LEU A 28 -14.827 10.287 18.424 1.00 0.00 C ATOM 450 CD2 LEU A 28 -12.826 9.015 19.210 1.00 0.00 C ATOM 0 H LEU A 28 -14.641 6.906 15.193 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.622 9.406 16.180 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.540 7.676 17.593 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.031 7.880 16.727 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.905 10.255 17.448 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.562 11.113 19.083 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.349 10.674 17.549 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.477 9.592 18.956 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.559 9.840 19.870 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.477 8.321 19.742 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.921 8.495 18.895 1.00 0.00 H new ATOM 462 N SER A 29 -12.876 9.521 14.351 1.00 0.00 N ATOM 463 CA SER A 29 -11.996 10.476 13.621 1.00 0.00 C ATOM 464 C SER A 29 -12.669 10.890 12.309 1.00 0.00 C ATOM 465 O SER A 29 -12.063 11.506 11.456 1.00 0.00 O ATOM 466 CB SER A 29 -10.656 9.805 13.315 1.00 0.00 C ATOM 467 OG SER A 29 -10.869 8.715 12.429 1.00 0.00 O ATOM 0 H SER A 29 -12.664 8.535 14.202 1.00 0.00 H new ATOM 0 HA SER A 29 -11.828 11.358 14.239 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.970 10.524 12.867 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.193 9.454 14.237 1.00 0.00 H new ATOM 0 HG SER A 29 -10.012 8.284 12.229 1.00 0.00 H new ATOM 473 N ALA A 30 -13.921 10.555 12.144 1.00 0.00 N ATOM 474 CA ALA A 30 -14.630 10.931 10.889 1.00 0.00 C ATOM 475 C ALA A 30 -14.199 12.335 10.460 1.00 0.00 C ATOM 476 O ALA A 30 -14.187 13.259 11.247 1.00 0.00 O ATOM 477 CB ALA A 30 -16.141 10.913 11.134 1.00 0.00 C ATOM 0 H ALA A 30 -14.481 10.039 12.823 1.00 0.00 H new ATOM 0 HA ALA A 30 -14.380 10.219 10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.662 11.188 10.217 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.448 9.913 11.440 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.391 11.625 11.920 1.00 0.00 H new ATOM 483 N GLY A 31 -13.845 12.501 9.215 1.00 0.00 N ATOM 484 CA GLY A 31 -13.410 13.846 8.738 1.00 0.00 C ATOM 485 C GLY A 31 -12.002 13.748 8.148 1.00 0.00 C ATOM 486 O GLY A 31 -11.700 14.352 7.138 1.00 0.00 O ATOM 0 H GLY A 31 -13.838 11.766 8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.105 14.219 7.986 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.421 14.557 9.564 1.00 0.00 H new ATOM 490 N HIS A 32 -11.141 12.990 8.768 1.00 0.00 N ATOM 491 CA HIS A 32 -9.756 12.844 8.234 1.00 0.00 C ATOM 492 C HIS A 32 -9.750 11.806 7.111 1.00 0.00 C ATOM 493 O HIS A 32 -10.746 11.165 6.839 1.00 0.00 O ATOM 494 CB HIS A 32 -8.822 12.389 9.357 1.00 0.00 C ATOM 495 CG HIS A 32 -8.675 13.492 10.367 1.00 0.00 C ATOM 496 ND1 HIS A 32 -9.572 13.666 11.412 1.00 0.00 N ATOM 497 CD2 HIS A 32 -7.740 14.490 10.507 1.00 0.00 C ATOM 498 CE1 HIS A 32 -9.163 14.729 12.127 1.00 0.00 C ATOM 499 NE2 HIS A 32 -8.053 15.266 11.617 1.00 0.00 N ATOM 0 H HIS A 32 -11.335 12.465 9.621 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.413 13.802 7.844 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.221 11.495 9.836 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.847 12.124 8.948 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -10.393 13.091 11.603 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.893 14.647 9.855 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.670 15.102 13.005 1.00 0.00 H new ATOM 508 N ARG A 33 -8.635 11.632 6.456 1.00 0.00 N ATOM 509 CA ARG A 33 -8.564 10.630 5.357 1.00 0.00 C ATOM 510 C ARG A 33 -7.521 9.566 5.703 1.00 0.00 C ATOM 511 O ARG A 33 -6.443 9.870 6.176 1.00 0.00 O ATOM 512 CB ARG A 33 -8.167 11.328 4.055 1.00 0.00 C ATOM 513 CG ARG A 33 -9.263 12.316 3.651 1.00 0.00 C ATOM 514 CD ARG A 33 -8.882 12.989 2.330 1.00 0.00 C ATOM 515 NE ARG A 33 -7.639 13.788 2.520 1.00 0.00 N ATOM 516 CZ ARG A 33 -7.687 14.928 3.152 1.00 0.00 C ATOM 517 NH1 ARG A 33 -8.823 15.369 3.617 1.00 0.00 N ATOM 518 NH2 ARG A 33 -6.598 15.628 3.318 1.00 0.00 N ATOM 0 H ARG A 33 -7.770 12.141 6.635 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.538 10.157 5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.220 11.852 4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.018 10.591 3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.215 11.796 3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.395 13.067 4.429 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.728 12.236 1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.693 13.633 1.991 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.751 13.444 2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.674 14.822 3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.860 16.261 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.710 15.284 2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.635 16.520 3.812 1.00 0.00 H new ATOM 532 N ASP A 34 -7.832 8.320 5.471 1.00 0.00 N ATOM 533 CA ASP A 34 -6.858 7.238 5.789 1.00 0.00 C ATOM 534 C ASP A 34 -6.451 6.524 4.499 1.00 0.00 C ATOM 535 O ASP A 34 -7.262 6.301 3.620 1.00 0.00 O ATOM 536 CB ASP A 34 -7.504 6.234 6.747 1.00 0.00 C ATOM 537 CG ASP A 34 -7.748 6.903 8.100 1.00 0.00 C ATOM 538 OD1 ASP A 34 -7.085 7.888 8.380 1.00 0.00 O ATOM 539 OD2 ASP A 34 -8.592 6.419 8.834 1.00 0.00 O ATOM 0 H ASP A 34 -8.718 8.005 5.075 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.975 7.671 6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.446 5.874 6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.857 5.365 6.870 1.00 0.00 H new ATOM 544 N VAL A 35 -5.204 6.162 4.377 1.00 0.00 N ATOM 545 CA VAL A 35 -4.750 5.458 3.145 1.00 0.00 C ATOM 546 C VAL A 35 -4.542 3.974 3.454 1.00 0.00 C ATOM 547 O VAL A 35 -3.925 3.615 4.437 1.00 0.00 O ATOM 548 CB VAL A 35 -3.431 6.068 2.667 1.00 0.00 C ATOM 549 CG1 VAL A 35 -3.218 5.730 1.190 1.00 0.00 C ATOM 550 CG2 VAL A 35 -3.483 7.587 2.838 1.00 0.00 C ATOM 0 H VAL A 35 -4.480 6.323 5.077 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.504 5.565 2.366 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.608 5.662 3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.278 6.165 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.183 4.648 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.040 6.137 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.544 8.024 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.306 7.992 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.636 7.830 3.890 1.00 0.00 H new ATOM 560 N PHE A 36 -5.052 3.108 2.622 1.00 0.00 N ATOM 561 CA PHE A 36 -4.876 1.649 2.864 1.00 0.00 C ATOM 562 C PHE A 36 -4.151 1.018 1.675 1.00 0.00 C ATOM 563 O PHE A 36 -4.362 1.390 0.538 1.00 0.00 O ATOM 564 CB PHE A 36 -6.247 0.990 3.034 1.00 0.00 C ATOM 565 CG PHE A 36 -6.925 1.549 4.263 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.674 0.983 5.519 1.00 0.00 C ATOM 567 CD2 PHE A 36 -7.804 2.631 4.146 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.301 1.500 6.658 1.00 0.00 C ATOM 569 CE2 PHE A 36 -8.433 3.148 5.285 1.00 0.00 C ATOM 570 CZ PHE A 36 -8.182 2.583 6.541 1.00 0.00 C ATOM 0 H PHE A 36 -5.583 3.348 1.785 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.287 1.500 3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.862 1.171 2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.134 -0.090 3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.996 0.147 5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.997 3.067 3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.106 1.064 7.627 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.112 3.983 5.195 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.667 2.982 7.419 1.00 0.00 H new ATOM 580 N TYR A 37 -3.296 0.064 1.927 1.00 0.00 N ATOM 581 CA TYR A 37 -2.553 -0.584 0.810 1.00 0.00 C ATOM 582 C TYR A 37 -2.899 -2.074 0.765 1.00 0.00 C ATOM 583 O TYR A 37 -3.137 -2.697 1.781 1.00 0.00 O ATOM 584 CB TYR A 37 -1.049 -0.416 1.033 1.00 0.00 C ATOM 585 CG TYR A 37 -0.730 1.047 1.231 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.856 1.625 2.499 1.00 0.00 C ATOM 587 CD2 TYR A 37 -0.310 1.825 0.145 1.00 0.00 C ATOM 588 CE1 TYR A 37 -0.561 2.982 2.682 1.00 0.00 C ATOM 589 CE2 TYR A 37 -0.016 3.181 0.328 1.00 0.00 C ATOM 590 CZ TYR A 37 -0.141 3.760 1.596 1.00 0.00 C ATOM 591 OH TYR A 37 0.149 5.097 1.777 1.00 0.00 O ATOM 0 H TYR A 37 -3.080 -0.294 2.857 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.835 -0.117 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.733 -0.989 1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.498 -0.807 0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.181 1.025 3.336 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.213 1.379 -0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.657 3.428 3.661 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.308 3.781 -0.510 1.00 0.00 H new ATOM 0 HH TYR A 37 1.114 5.208 1.904 1.00 0.00 H new ATOM 601 N TYR A 38 -2.931 -2.650 -0.405 1.00 0.00 N ATOM 602 CA TYR A 38 -3.271 -4.097 -0.516 1.00 0.00 C ATOM 603 C TYR A 38 -2.193 -4.815 -1.328 1.00 0.00 C ATOM 604 O TYR A 38 -1.719 -4.314 -2.329 1.00 0.00 O ATOM 605 CB TYR A 38 -4.624 -4.250 -1.212 1.00 0.00 C ATOM 606 CG TYR A 38 -5.601 -3.252 -0.639 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.846 -3.225 0.740 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.262 -2.354 -1.485 1.00 0.00 C ATOM 609 CE1 TYR A 38 -6.753 -2.300 1.271 1.00 0.00 C ATOM 610 CE2 TYR A 38 -7.169 -1.429 -0.953 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.414 -1.402 0.425 1.00 0.00 C ATOM 612 OH TYR A 38 -8.308 -0.491 0.949 1.00 0.00 O ATOM 0 H TYR A 38 -2.736 -2.181 -1.290 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.324 -4.535 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.513 -4.091 -2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.002 -5.263 -1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.336 -3.917 1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.073 -2.374 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.943 -2.279 2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.679 -0.736 -1.606 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.677 0.058 0.226 1.00 0.00 H new ATOM 622 N SER A 39 -1.801 -5.987 -0.908 1.00 0.00 N ATOM 623 CA SER A 39 -0.767 -6.745 -1.667 1.00 0.00 C ATOM 624 C SER A 39 -1.446 -7.806 -2.535 1.00 0.00 C ATOM 625 O SER A 39 -2.654 -7.945 -2.529 1.00 0.00 O ATOM 626 CB SER A 39 0.189 -7.423 -0.686 1.00 0.00 C ATOM 627 OG SER A 39 -0.001 -6.875 0.611 1.00 0.00 O ATOM 0 H SER A 39 -2.153 -6.452 -0.071 1.00 0.00 H new ATOM 0 HA SER A 39 -0.208 -6.059 -2.304 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.009 -8.498 -0.669 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.221 -7.278 -1.007 1.00 0.00 H new ATOM 0 HG SER A 39 0.820 -6.423 0.899 1.00 0.00 H new ATOM 633 N PRO A 40 -0.669 -8.548 -3.275 1.00 0.00 N ATOM 634 CA PRO A 40 -1.190 -9.615 -4.176 1.00 0.00 C ATOM 635 C PRO A 40 -2.038 -10.647 -3.425 1.00 0.00 C ATOM 636 O PRO A 40 -2.978 -11.199 -3.962 1.00 0.00 O ATOM 637 CB PRO A 40 0.074 -10.270 -4.736 1.00 0.00 C ATOM 638 CG PRO A 40 1.152 -9.248 -4.586 1.00 0.00 C ATOM 639 CD PRO A 40 0.796 -8.448 -3.331 1.00 0.00 C ATOM 0 HA PRO A 40 -1.847 -9.208 -4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.318 -11.181 -4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.059 -10.550 -5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.128 -9.722 -4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.202 -8.601 -5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.263 -8.868 -2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.127 -7.412 -3.406 1.00 0.00 H new ATOM 647 N SER A 41 -1.713 -10.908 -2.188 1.00 0.00 N ATOM 648 CA SER A 41 -2.498 -11.905 -1.408 1.00 0.00 C ATOM 649 C SER A 41 -3.691 -11.214 -0.746 1.00 0.00 C ATOM 650 O SER A 41 -4.421 -11.811 0.019 1.00 0.00 O ATOM 651 CB SER A 41 -1.606 -12.526 -0.332 1.00 0.00 C ATOM 652 OG SER A 41 -0.367 -12.912 -0.914 1.00 0.00 O ATOM 0 H SER A 41 -0.939 -10.474 -1.685 1.00 0.00 H new ATOM 0 HA SER A 41 -2.859 -12.686 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.436 -11.811 0.473 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.099 -13.392 0.110 1.00 0.00 H new ATOM 0 HG SER A 41 0.371 -12.531 -0.394 1.00 0.00 H new ATOM 658 N GLY A 42 -3.894 -9.957 -1.032 1.00 0.00 N ATOM 659 CA GLY A 42 -5.038 -9.227 -0.418 1.00 0.00 C ATOM 660 C GLY A 42 -4.658 -8.771 0.992 1.00 0.00 C ATOM 661 O GLY A 42 -5.487 -8.316 1.753 1.00 0.00 O ATOM 0 H GLY A 42 -3.316 -9.404 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.304 -8.365 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.915 -9.873 -0.378 1.00 0.00 H new ATOM 665 N LYS A 43 -3.407 -8.890 1.346 1.00 0.00 N ATOM 666 CA LYS A 43 -2.973 -8.461 2.706 1.00 0.00 C ATOM 667 C LYS A 43 -3.202 -6.958 2.864 1.00 0.00 C ATOM 668 O LYS A 43 -2.650 -6.156 2.137 1.00 0.00 O ATOM 669 CB LYS A 43 -1.486 -8.774 2.889 1.00 0.00 C ATOM 670 CG LYS A 43 -1.015 -8.237 4.242 1.00 0.00 C ATOM 671 CD LYS A 43 0.480 -8.509 4.407 1.00 0.00 C ATOM 672 CE LYS A 43 0.981 -7.857 5.697 1.00 0.00 C ATOM 673 NZ LYS A 43 0.296 -8.479 6.866 1.00 0.00 N ATOM 0 H LYS A 43 -2.667 -9.266 0.753 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.552 -8.997 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.321 -9.850 2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.906 -8.322 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.210 -7.167 4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.573 -8.713 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.663 -9.583 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.028 -8.115 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.060 -7.982 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.785 -6.785 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.813 -8.244 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.676 -8.116 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.273 -9.512 6.746 1.00 0.00 H new ATOM 687 N LYS A 44 -4.014 -6.568 3.808 1.00 0.00 N ATOM 688 CA LYS A 44 -4.261 -5.113 4.025 1.00 0.00 C ATOM 689 C LYS A 44 -3.342 -4.601 5.135 1.00 0.00 C ATOM 690 O LYS A 44 -3.349 -5.103 6.242 1.00 0.00 O ATOM 691 CB LYS A 44 -5.720 -4.900 4.431 1.00 0.00 C ATOM 692 CG LYS A 44 -6.029 -5.723 5.683 1.00 0.00 C ATOM 693 CD LYS A 44 -7.537 -5.720 5.940 1.00 0.00 C ATOM 694 CE LYS A 44 -7.906 -4.509 6.799 1.00 0.00 C ATOM 695 NZ LYS A 44 -7.671 -3.259 6.022 1.00 0.00 N ATOM 0 H LYS A 44 -4.517 -7.193 4.438 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.057 -4.567 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.904 -3.843 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.382 -5.195 3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.674 -6.746 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.503 -5.308 6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.078 -5.687 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.833 -6.640 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.951 -4.570 7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.309 -4.501 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.269 -2.497 6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.671 -2.985 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.909 -3.421 5.023 1.00 0.00 H new ATOM 709 N PHE A 45 -2.550 -3.603 4.849 1.00 0.00 N ATOM 710 CA PHE A 45 -1.633 -3.058 5.888 1.00 0.00 C ATOM 711 C PHE A 45 -1.575 -1.534 5.769 1.00 0.00 C ATOM 712 O PHE A 45 -1.675 -0.983 4.690 1.00 0.00 O ATOM 713 CB PHE A 45 -0.232 -3.639 5.689 1.00 0.00 C ATOM 714 CG PHE A 45 0.235 -3.357 4.282 1.00 0.00 C ATOM 715 CD1 PHE A 45 -0.101 -4.233 3.243 1.00 0.00 C ATOM 716 CD2 PHE A 45 1.005 -2.219 4.014 1.00 0.00 C ATOM 717 CE1 PHE A 45 0.331 -3.972 1.938 1.00 0.00 C ATOM 718 CE2 PHE A 45 1.437 -1.957 2.709 1.00 0.00 C ATOM 719 CZ PHE A 45 1.100 -2.834 1.671 1.00 0.00 C ATOM 0 H PHE A 45 -2.499 -3.142 3.940 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.002 -3.331 6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.460 -3.201 6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.243 -4.714 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.694 -5.111 3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.266 -1.543 4.815 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.071 -4.649 1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.030 -1.078 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.434 -2.632 0.664 1.00 0.00 H new ATOM 729 N ARG A 46 -1.414 -0.848 6.867 1.00 0.00 N ATOM 730 CA ARG A 46 -1.339 0.639 6.811 1.00 0.00 C ATOM 731 C ARG A 46 -0.121 1.119 7.601 1.00 0.00 C ATOM 732 O ARG A 46 -0.233 1.917 8.510 1.00 0.00 O ATOM 733 CB ARG A 46 -2.610 1.237 7.421 1.00 0.00 C ATOM 734 CG ARG A 46 -2.865 0.605 8.791 1.00 0.00 C ATOM 735 CD ARG A 46 -4.124 1.215 9.408 1.00 0.00 C ATOM 736 NE ARG A 46 -4.398 0.567 10.721 1.00 0.00 N ATOM 737 CZ ARG A 46 -3.802 0.997 11.799 1.00 0.00 C ATOM 738 NH1 ARG A 46 -2.965 1.997 11.727 1.00 0.00 N ATOM 739 NH2 ARG A 46 -4.042 0.430 12.949 1.00 0.00 N ATOM 0 H ARG A 46 -1.331 -1.253 7.800 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.248 0.959 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.505 2.317 7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.460 1.059 6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.983 -0.474 8.689 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.009 0.772 9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.993 2.289 9.541 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.973 1.078 8.738 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.052 -0.214 10.777 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.778 2.441 10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.499 2.334 12.570 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.696 -0.350 13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.575 0.767 13.791 1.00 0.00 H new ATOM 753 N SER A 47 1.044 0.639 7.263 1.00 0.00 N ATOM 754 CA SER A 47 2.269 1.065 7.997 1.00 0.00 C ATOM 755 C SER A 47 3.502 0.798 7.132 1.00 0.00 C ATOM 756 O SER A 47 3.546 -0.150 6.372 1.00 0.00 O ATOM 757 CB SER A 47 2.381 0.276 9.302 1.00 0.00 C ATOM 758 OG SER A 47 1.083 -0.115 9.728 1.00 0.00 O ATOM 0 H SER A 47 1.201 -0.030 6.510 1.00 0.00 H new ATOM 0 HA SER A 47 2.206 2.130 8.220 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.008 -0.603 9.156 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.860 0.885 10.069 1.00 0.00 H new ATOM 0 HG SER A 47 1.152 -0.622 10.564 1.00 0.00 H new ATOM 764 N LYS A 48 4.504 1.625 7.239 1.00 0.00 N ATOM 765 CA LYS A 48 5.730 1.424 6.416 1.00 0.00 C ATOM 766 C LYS A 48 6.464 0.168 6.891 1.00 0.00 C ATOM 767 O LYS A 48 6.929 -0.627 6.100 1.00 0.00 O ATOM 768 CB LYS A 48 6.649 2.639 6.562 1.00 0.00 C ATOM 769 CG LYS A 48 7.171 3.053 5.186 1.00 0.00 C ATOM 770 CD LYS A 48 8.250 2.069 4.731 1.00 0.00 C ATOM 771 CE LYS A 48 9.619 2.553 5.212 1.00 0.00 C ATOM 772 NZ LYS A 48 9.890 3.909 4.656 1.00 0.00 N ATOM 0 H LYS A 48 4.527 2.433 7.862 1.00 0.00 H new ATOM 0 HA LYS A 48 5.449 1.306 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.106 3.466 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.483 2.400 7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.353 3.071 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.580 4.063 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.043 1.076 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.244 1.983 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.644 2.583 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.395 1.856 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.899 3.991 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.319 4.053 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.642 4.630 5.363 1.00 0.00 H new ATOM 786 N PRO A 49 6.562 -0.003 8.182 1.00 0.00 N ATOM 787 CA PRO A 49 7.251 -1.176 8.790 1.00 0.00 C ATOM 788 C PRO A 49 6.687 -2.507 8.282 1.00 0.00 C ATOM 789 O PRO A 49 7.420 -3.418 7.953 1.00 0.00 O ATOM 790 CB PRO A 49 6.983 -1.021 10.289 1.00 0.00 C ATOM 791 CG PRO A 49 6.702 0.431 10.494 1.00 0.00 C ATOM 792 CD PRO A 49 6.025 0.909 9.202 1.00 0.00 C ATOM 0 HA PRO A 49 8.311 -1.197 8.537 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.137 -1.633 10.602 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.843 -1.341 10.877 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.054 0.586 11.356 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.622 0.985 10.682 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.939 0.843 9.269 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.269 1.948 8.981 1.00 0.00 H new ATOM 800 N GLN A 50 5.389 -2.625 8.215 1.00 0.00 N ATOM 801 CA GLN A 50 4.780 -3.888 7.711 1.00 0.00 C ATOM 802 C GLN A 50 5.014 -4.000 6.203 1.00 0.00 C ATOM 803 O GLN A 50 5.244 -5.072 5.679 1.00 0.00 O ATOM 804 CB GLN A 50 3.277 -3.879 7.994 1.00 0.00 C ATOM 805 CG GLN A 50 3.041 -3.880 9.506 1.00 0.00 C ATOM 806 CD GLN A 50 3.607 -5.166 10.110 1.00 0.00 C ATOM 807 OE1 GLN A 50 4.720 -5.185 10.596 1.00 0.00 O ATOM 808 NE2 GLN A 50 2.881 -6.251 10.101 1.00 0.00 N ATOM 0 H GLN A 50 4.724 -1.901 8.488 1.00 0.00 H new ATOM 0 HA GLN A 50 5.239 -4.739 8.215 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.817 -2.999 7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.806 -4.752 7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.519 -3.012 9.960 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.975 -3.805 9.718 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.946 -6.236 9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.249 -7.114 10.502 1.00 0.00 H new ATOM 817 N LEU A 51 4.958 -2.901 5.501 1.00 0.00 N ATOM 818 CA LEU A 51 5.178 -2.946 4.029 1.00 0.00 C ATOM 819 C LEU A 51 6.604 -3.418 3.740 1.00 0.00 C ATOM 820 O LEU A 51 6.827 -4.284 2.917 1.00 0.00 O ATOM 821 CB LEU A 51 4.975 -1.547 3.440 1.00 0.00 C ATOM 822 CG LEU A 51 4.650 -1.663 1.951 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.299 -0.280 1.396 1.00 0.00 C ATOM 824 CD2 LEU A 51 5.865 -2.217 1.205 1.00 0.00 C ATOM 0 H LEU A 51 4.769 -1.975 5.884 1.00 0.00 H new ATOM 0 HA LEU A 51 4.468 -3.638 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.166 -1.035 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.874 -0.947 3.581 1.00 0.00 H new ATOM 0 HG LEU A 51 3.803 -2.335 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.067 -0.362 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.433 0.116 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.146 0.392 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.633 -2.300 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.712 -1.545 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.116 -3.202 1.599 1.00 0.00 H new ATOM 836 N ALA A 52 7.573 -2.858 4.411 1.00 0.00 N ATOM 837 CA ALA A 52 8.982 -3.280 4.179 1.00 0.00 C ATOM 838 C ALA A 52 9.164 -4.727 4.640 1.00 0.00 C ATOM 839 O ALA A 52 9.813 -5.520 3.985 1.00 0.00 O ATOM 840 CB ALA A 52 9.924 -2.369 4.970 1.00 0.00 C ATOM 0 H ALA A 52 7.449 -2.126 5.110 1.00 0.00 H new ATOM 0 HA ALA A 52 9.213 -3.206 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.956 -2.677 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.795 -1.338 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.693 -2.442 6.033 1.00 0.00 H new ATOM 846 N ARG A 53 8.599 -5.079 5.762 1.00 0.00 N ATOM 847 CA ARG A 53 8.741 -6.475 6.262 1.00 0.00 C ATOM 848 C ARG A 53 8.239 -7.453 5.197 1.00 0.00 C ATOM 849 O ARG A 53 8.873 -8.449 4.909 1.00 0.00 O ATOM 850 CB ARG A 53 7.915 -6.645 7.540 1.00 0.00 C ATOM 851 CG ARG A 53 8.121 -8.055 8.098 1.00 0.00 C ATOM 852 CD ARG A 53 7.328 -8.211 9.396 1.00 0.00 C ATOM 853 NE ARG A 53 7.656 -9.521 10.024 1.00 0.00 N ATOM 854 CZ ARG A 53 6.988 -10.591 9.692 1.00 0.00 C ATOM 855 NH1 ARG A 53 6.031 -10.513 8.807 1.00 0.00 N ATOM 856 NH2 ARG A 53 7.276 -11.739 10.241 1.00 0.00 N ATOM 0 H ARG A 53 8.045 -4.460 6.354 1.00 0.00 H new ATOM 0 HA ARG A 53 9.790 -6.679 6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.214 -5.902 8.280 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.859 -6.477 7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.795 -8.797 7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.180 -8.233 8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.567 -7.397 10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.259 -8.151 9.191 1.00 0.00 H new ATOM 0 HE ARG A 53 8.404 -9.582 10.715 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.807 -9.616 8.376 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.508 -11.349 8.546 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.025 -11.801 10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.753 -12.575 9.980 1.00 0.00 H new ATOM 870 N TYR A 54 7.108 -7.176 4.610 1.00 0.00 N ATOM 871 CA TYR A 54 6.576 -8.083 3.553 1.00 0.00 C ATOM 872 C TYR A 54 7.503 -8.047 2.337 1.00 0.00 C ATOM 873 O TYR A 54 7.911 -9.071 1.824 1.00 0.00 O ATOM 874 CB TYR A 54 5.177 -7.622 3.143 1.00 0.00 C ATOM 875 CG TYR A 54 4.467 -8.744 2.424 1.00 0.00 C ATOM 876 CD1 TYR A 54 4.864 -9.109 1.130 1.00 0.00 C ATOM 877 CD2 TYR A 54 3.415 -9.422 3.048 1.00 0.00 C ATOM 878 CE1 TYR A 54 4.207 -10.149 0.463 1.00 0.00 C ATOM 879 CE2 TYR A 54 2.756 -10.462 2.381 1.00 0.00 C ATOM 880 CZ TYR A 54 3.153 -10.826 1.088 1.00 0.00 C ATOM 881 OH TYR A 54 2.506 -11.852 0.431 1.00 0.00 O ATOM 0 H TYR A 54 6.529 -6.362 4.816 1.00 0.00 H new ATOM 0 HA TYR A 54 6.524 -9.101 3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.608 -7.323 4.024 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.246 -6.747 2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.677 -8.587 0.648 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.110 -9.143 4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.513 -10.429 -0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.942 -10.983 2.863 1.00 0.00 H new ATOM 0 HH TYR A 54 1.800 -12.215 1.006 1.00 0.00 H new ATOM 891 N LEU A 55 7.839 -6.876 1.869 1.00 0.00 N ATOM 892 CA LEU A 55 8.745 -6.775 0.690 1.00 0.00 C ATOM 893 C LEU A 55 10.160 -7.189 1.099 1.00 0.00 C ATOM 894 O LEU A 55 11.061 -7.241 0.286 1.00 0.00 O ATOM 895 CB LEU A 55 8.762 -5.333 0.181 1.00 0.00 C ATOM 896 CG LEU A 55 7.671 -5.152 -0.876 1.00 0.00 C ATOM 897 CD1 LEU A 55 8.026 -5.968 -2.121 1.00 0.00 C ATOM 898 CD2 LEU A 55 6.333 -5.638 -0.315 1.00 0.00 C ATOM 0 H LEU A 55 7.525 -5.984 2.252 1.00 0.00 H new ATOM 0 HA LEU A 55 8.387 -7.434 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.600 -4.642 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.738 -5.098 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 55 7.594 -4.098 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.249 -5.839 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.980 -5.625 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.103 -7.022 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.555 -5.509 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.411 -6.692 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.079 -5.059 0.573 1.00 0.00 H new ATOM 910 N GLY A 56 10.364 -7.482 2.355 1.00 0.00 N ATOM 911 CA GLY A 56 11.720 -7.897 2.813 1.00 0.00 C ATOM 912 C GLY A 56 12.243 -9.019 1.913 1.00 0.00 C ATOM 913 O GLY A 56 11.491 -9.668 1.214 1.00 0.00 O ATOM 0 H GLY A 56 9.650 -7.452 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.401 -7.046 2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.678 -8.237 3.848 1.00 0.00 H new ATOM 917 N GLY A 57 13.527 -9.253 1.925 1.00 0.00 N ATOM 918 CA GLY A 57 14.098 -10.325 1.063 1.00 0.00 C ATOM 919 C GLY A 57 13.780 -10.025 -0.404 1.00 0.00 C ATOM 920 O GLY A 57 14.665 -9.849 -1.217 1.00 0.00 O ATOM 0 H GLY A 57 14.205 -8.747 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.177 -10.386 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.683 -11.293 1.345 1.00 0.00 H new ATOM 924 N SER A 58 12.521 -9.964 -0.748 1.00 0.00 N ATOM 925 CA SER A 58 12.149 -9.703 -2.166 1.00 0.00 C ATOM 926 C SER A 58 12.699 -8.341 -2.595 1.00 0.00 C ATOM 927 O SER A 58 12.997 -8.117 -3.752 1.00 0.00 O ATOM 928 CB SER A 58 10.626 -9.701 -2.300 1.00 0.00 C ATOM 929 OG SER A 58 10.083 -8.679 -1.475 1.00 0.00 O ATOM 0 H SER A 58 11.736 -10.084 -0.108 1.00 0.00 H new ATOM 0 HA SER A 58 12.570 -10.482 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.341 -9.535 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.223 -10.671 -2.010 1.00 0.00 H new ATOM 0 HG SER A 58 10.738 -8.429 -0.790 1.00 0.00 H new ATOM 935 N MET A 59 12.838 -7.429 -1.672 1.00 0.00 N ATOM 936 CA MET A 59 13.358 -6.079 -2.031 1.00 0.00 C ATOM 937 C MET A 59 13.178 -5.131 -0.843 1.00 0.00 C ATOM 938 O MET A 59 12.096 -4.989 -0.309 1.00 0.00 O ATOM 939 CB MET A 59 12.587 -5.539 -3.237 1.00 0.00 C ATOM 940 CG MET A 59 13.538 -5.389 -4.426 1.00 0.00 C ATOM 941 SD MET A 59 12.590 -4.948 -5.904 1.00 0.00 S ATOM 942 CE MET A 59 12.087 -3.294 -5.364 1.00 0.00 C ATOM 0 H MET A 59 12.614 -7.560 -0.686 1.00 0.00 H new ATOM 0 HA MET A 59 14.417 -6.152 -2.281 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.772 -6.215 -3.493 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.138 -4.576 -2.993 1.00 0.00 H new ATOM 0 HG2 MET A 59 14.282 -4.621 -4.216 1.00 0.00 H new ATOM 0 HG3 MET A 59 14.079 -6.320 -4.592 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.834 -2.688 -6.234 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.217 -3.373 -4.711 1.00 0.00 H new ATOM 0 HE3 MET A 59 12.907 -2.824 -4.821 1.00 0.00 H new ATOM 952 N ASP A 60 14.230 -4.481 -0.427 1.00 0.00 N ATOM 953 CA ASP A 60 14.114 -3.531 0.717 1.00 0.00 C ATOM 954 C ASP A 60 13.326 -2.296 0.275 1.00 0.00 C ATOM 955 O ASP A 60 13.328 -1.928 -0.883 1.00 0.00 O ATOM 956 CB ASP A 60 15.512 -3.109 1.171 1.00 0.00 C ATOM 957 CG ASP A 60 15.404 -2.297 2.465 1.00 0.00 C ATOM 958 OD1 ASP A 60 14.300 -1.905 2.804 1.00 0.00 O ATOM 959 OD2 ASP A 60 16.427 -2.081 3.092 1.00 0.00 O ATOM 0 H ASP A 60 15.164 -4.566 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 60 13.595 -4.017 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.135 -3.989 1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.994 -2.515 0.395 1.00 0.00 H new ATOM 964 N LEU A 61 12.650 -1.654 1.189 1.00 0.00 N ATOM 965 CA LEU A 61 11.846 -0.457 0.817 1.00 0.00 C ATOM 966 C LEU A 61 12.120 0.671 1.812 1.00 0.00 C ATOM 967 O LEU A 61 11.305 1.552 2.008 1.00 0.00 O ATOM 968 CB LEU A 61 10.358 -0.813 0.845 1.00 0.00 C ATOM 969 CG LEU A 61 9.839 -0.957 -0.586 1.00 0.00 C ATOM 970 CD1 LEU A 61 10.522 -2.146 -1.261 1.00 0.00 C ATOM 971 CD2 LEU A 61 8.327 -1.188 -0.557 1.00 0.00 C ATOM 0 H LEU A 61 12.620 -1.907 2.177 1.00 0.00 H new ATOM 0 HA LEU A 61 12.122 -0.131 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.206 -1.743 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.798 -0.039 1.370 1.00 0.00 H new ATOM 0 HG LEU A 61 10.059 -0.048 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.151 -2.248 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.600 -1.983 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.303 -3.056 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.955 -1.291 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.109 -2.098 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.839 -0.340 -0.076 1.00 0.00 H new ATOM 983 N SER A 62 13.261 0.654 2.445 1.00 0.00 N ATOM 984 CA SER A 62 13.582 1.721 3.434 1.00 0.00 C ATOM 985 C SER A 62 13.388 3.092 2.786 1.00 0.00 C ATOM 986 O SER A 62 13.014 4.049 3.435 1.00 0.00 O ATOM 987 CB SER A 62 15.034 1.573 3.891 1.00 0.00 C ATOM 988 OG SER A 62 15.164 0.391 4.671 1.00 0.00 O ATOM 0 H SER A 62 13.985 -0.053 2.320 1.00 0.00 H new ATOM 0 HA SER A 62 12.920 1.630 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.696 1.526 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.334 2.443 4.476 1.00 0.00 H new ATOM 0 HG SER A 62 14.841 -0.378 4.156 1.00 0.00 H new ATOM 994 N THR A 63 13.641 3.197 1.510 1.00 0.00 N ATOM 995 CA THR A 63 13.470 4.508 0.822 1.00 0.00 C ATOM 996 C THR A 63 12.080 4.573 0.186 1.00 0.00 C ATOM 997 O THR A 63 11.898 5.142 -0.871 1.00 0.00 O ATOM 998 CB THR A 63 14.537 4.654 -0.266 1.00 0.00 C ATOM 999 OG1 THR A 63 14.579 3.470 -1.049 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.902 4.887 0.383 1.00 0.00 C ATOM 0 H THR A 63 13.959 2.432 0.915 1.00 0.00 H new ATOM 0 HA THR A 63 13.575 5.316 1.546 1.00 0.00 H new ATOM 0 HB THR A 63 14.291 5.503 -0.904 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.767 3.409 -1.594 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.661 4.991 -0.393 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.869 5.797 0.983 1.00 0.00 H new ATOM 0 HG23 THR A 63 16.150 4.040 1.022 1.00 0.00 H new ATOM 1008 N PHE A 64 11.099 3.993 0.820 1.00 0.00 N ATOM 1009 CA PHE A 64 9.722 4.023 0.252 1.00 0.00 C ATOM 1010 C PHE A 64 8.912 5.126 0.937 1.00 0.00 C ATOM 1011 O PHE A 64 8.855 5.206 2.147 1.00 0.00 O ATOM 1012 CB PHE A 64 9.043 2.673 0.485 1.00 0.00 C ATOM 1013 CG PHE A 64 7.632 2.719 -0.047 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.400 2.628 -1.425 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.554 2.853 0.836 1.00 0.00 C ATOM 1016 CE1 PHE A 64 6.091 2.673 -1.919 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.245 2.895 0.343 1.00 0.00 C ATOM 1018 CZ PHE A 64 5.014 2.806 -1.036 1.00 0.00 C ATOM 0 H PHE A 64 11.191 3.499 1.708 1.00 0.00 H new ATOM 0 HA PHE A 64 9.776 4.222 -0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.604 1.882 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.034 2.438 1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.231 2.523 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.733 2.924 1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.912 2.605 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.414 2.996 1.025 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.004 2.840 -1.417 1.00 0.00 H new ATOM 1028 N ASP A 65 8.285 5.977 0.172 1.00 0.00 N ATOM 1029 CA ASP A 65 7.481 7.074 0.780 1.00 0.00 C ATOM 1030 C ASP A 65 6.104 6.535 1.176 1.00 0.00 C ATOM 1031 O ASP A 65 5.310 6.157 0.339 1.00 0.00 O ATOM 1032 CB ASP A 65 7.313 8.206 -0.235 1.00 0.00 C ATOM 1033 CG ASP A 65 8.634 8.961 -0.383 1.00 0.00 C ATOM 1034 OD1 ASP A 65 9.538 8.691 0.393 1.00 0.00 O ATOM 1035 OD2 ASP A 65 8.722 9.798 -1.266 1.00 0.00 O ATOM 0 H ASP A 65 8.295 5.960 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 65 7.992 7.453 1.665 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.004 7.801 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.527 8.887 0.092 1.00 0.00 H new ATOM 1040 N PHE A 66 5.816 6.500 2.449 1.00 0.00 N ATOM 1041 CA PHE A 66 4.494 5.976 2.898 1.00 0.00 C ATOM 1042 C PHE A 66 3.414 7.030 2.643 1.00 0.00 C ATOM 1043 O PHE A 66 2.323 6.720 2.211 1.00 0.00 O ATOM 1044 CB PHE A 66 4.553 5.659 4.393 1.00 0.00 C ATOM 1045 CG PHE A 66 3.326 4.875 4.791 1.00 0.00 C ATOM 1046 CD1 PHE A 66 3.254 3.503 4.525 1.00 0.00 C ATOM 1047 CD2 PHE A 66 2.259 5.522 5.427 1.00 0.00 C ATOM 1048 CE1 PHE A 66 2.115 2.777 4.893 1.00 0.00 C ATOM 1049 CE2 PHE A 66 1.120 4.796 5.797 1.00 0.00 C ATOM 1050 CZ PHE A 66 1.049 3.424 5.529 1.00 0.00 C ATOM 0 H PHE A 66 6.437 6.811 3.196 1.00 0.00 H new ATOM 0 HA PHE A 66 4.255 5.069 2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.452 5.086 4.619 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.610 6.582 4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.077 3.004 4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.315 6.581 5.632 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.059 1.718 4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.297 5.294 6.289 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.171 2.864 5.813 1.00 0.00 H new ATOM 1060 N ARG A 67 3.711 8.273 2.906 1.00 0.00 N ATOM 1061 CA ARG A 67 2.691 9.341 2.706 1.00 0.00 C ATOM 1062 C ARG A 67 2.320 9.420 1.223 1.00 0.00 C ATOM 1063 O ARG A 67 1.184 9.662 0.870 1.00 0.00 O ATOM 1064 CB ARG A 67 3.264 10.684 3.161 1.00 0.00 C ATOM 1065 CG ARG A 67 3.668 10.595 4.635 1.00 0.00 C ATOM 1066 CD ARG A 67 2.414 10.644 5.511 1.00 0.00 C ATOM 1067 NE ARG A 67 1.600 11.839 5.148 1.00 0.00 N ATOM 1068 CZ ARG A 67 0.443 12.038 5.717 1.00 0.00 C ATOM 1069 NH1 ARG A 67 -0.001 11.190 6.604 1.00 0.00 N ATOM 1070 NH2 ARG A 67 -0.269 13.082 5.398 1.00 0.00 N ATOM 0 H ARG A 67 4.615 8.595 3.251 1.00 0.00 H new ATOM 0 HA ARG A 67 1.801 9.109 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.128 10.948 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.524 11.472 3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.216 9.671 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.336 11.418 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.827 9.736 5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.694 10.688 6.563 1.00 0.00 H new ATOM 0 HE ARG A 67 1.948 12.501 4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.556 10.373 6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.905 11.345 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.078 13.743 4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.174 13.238 5.843 1.00 0.00 H new ATOM 1084 N THR A 68 3.272 9.218 0.353 1.00 0.00 N ATOM 1085 CA THR A 68 2.974 9.295 -1.105 1.00 0.00 C ATOM 1086 C THR A 68 2.697 7.890 -1.644 1.00 0.00 C ATOM 1087 O THR A 68 2.154 7.722 -2.718 1.00 0.00 O ATOM 1088 CB THR A 68 4.175 9.894 -1.841 1.00 0.00 C ATOM 1089 OG1 THR A 68 5.219 8.932 -1.899 1.00 0.00 O ATOM 1090 CG2 THR A 68 4.665 11.137 -1.096 1.00 0.00 C ATOM 0 H THR A 68 4.241 9.003 0.588 1.00 0.00 H new ATOM 0 HA THR A 68 2.099 9.925 -1.263 1.00 0.00 H new ATOM 0 HB THR A 68 3.880 10.173 -2.852 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.035 9.355 -2.240 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.520 11.562 -1.621 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.863 11.874 -1.051 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.961 10.861 -0.084 1.00 0.00 H new ATOM 1098 N GLY A 69 3.064 6.878 -0.905 1.00 0.00 N ATOM 1099 CA GLY A 69 2.824 5.485 -1.377 1.00 0.00 C ATOM 1100 C GLY A 69 3.649 5.222 -2.639 1.00 0.00 C ATOM 1101 O GLY A 69 3.217 4.535 -3.543 1.00 0.00 O ATOM 0 H GLY A 69 3.519 6.956 0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.097 4.774 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.764 5.338 -1.586 1.00 0.00 H new ATOM 1105 N LYS A 70 4.833 5.764 -2.705 1.00 0.00 N ATOM 1106 CA LYS A 70 5.682 5.553 -3.913 1.00 0.00 C ATOM 1107 C LYS A 70 7.153 5.491 -3.497 1.00 0.00 C ATOM 1108 O LYS A 70 7.522 5.910 -2.418 1.00 0.00 O ATOM 1109 CB LYS A 70 5.476 6.712 -4.890 1.00 0.00 C ATOM 1110 CG LYS A 70 4.053 6.663 -5.448 1.00 0.00 C ATOM 1111 CD LYS A 70 3.882 7.750 -6.511 1.00 0.00 C ATOM 1112 CE LYS A 70 4.077 9.126 -5.870 1.00 0.00 C ATOM 1113 NZ LYS A 70 5.489 9.563 -6.053 1.00 0.00 N ATOM 0 H LYS A 70 5.250 6.343 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 70 5.401 4.617 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.647 7.662 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.199 6.649 -5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.855 5.682 -5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.331 6.809 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.605 7.605 -7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.891 7.683 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.399 9.850 -6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.833 9.082 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.899 9.807 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.038 8.791 -6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.517 10.396 -6.675 1.00 0.00 H new ATOM 1127 N MET A 71 7.998 4.972 -4.347 1.00 0.00 N ATOM 1128 CA MET A 71 9.444 4.884 -3.999 1.00 0.00 C ATOM 1129 C MET A 71 10.113 6.237 -4.247 1.00 0.00 C ATOM 1130 O MET A 71 9.995 6.811 -5.310 1.00 0.00 O ATOM 1131 CB MET A 71 10.113 3.816 -4.868 1.00 0.00 C ATOM 1132 CG MET A 71 11.607 3.756 -4.545 1.00 0.00 C ATOM 1133 SD MET A 71 11.831 3.288 -2.810 1.00 0.00 S ATOM 1134 CE MET A 71 12.465 1.620 -3.107 1.00 0.00 C ATOM 0 H MET A 71 7.749 4.606 -5.266 1.00 0.00 H new ATOM 0 HA MET A 71 9.549 4.616 -2.948 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.652 2.845 -4.688 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.967 4.047 -5.923 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.102 3.034 -5.194 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.070 4.724 -4.734 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.675 1.136 -2.153 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.721 1.040 -3.652 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.381 1.678 -3.694 1.00 0.00 H new ATOM 1144 N LEU A 72 10.814 6.749 -3.274 1.00 0.00 N ATOM 1145 CA LEU A 72 11.486 8.068 -3.453 1.00 0.00 C ATOM 1146 C LEU A 72 10.490 9.073 -4.034 1.00 0.00 C ATOM 1147 CB LEU A 72 12.669 7.910 -4.410 1.00 0.00 C ATOM 1148 CG LEU A 72 13.681 9.030 -4.161 1.00 0.00 C ATOM 1149 CD1 LEU A 72 14.926 8.794 -5.018 1.00 0.00 C ATOM 1150 CD2 LEU A 72 13.054 10.375 -4.533 1.00 0.00 C ATOM 0 H LEU A 72 10.951 6.312 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 72 11.844 8.428 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.142 6.939 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.322 7.942 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 72 13.962 9.038 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.647 9.592 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.373 7.836 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.646 8.786 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.774 11.174 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.773 10.367 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.167 10.544 -3.922 1.00 0.00 H new TER 1162 LEU A 72