USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 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 7 SER OG : rot 0:sc= 1.02 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -158:sc= -0.042 (180deg=-0.383) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -174:sc= -0.78 (180deg=-0.879) USER MOD Single : A 18 CYS SG : rot 126:sc= 0.852 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.045) USER MOD Single : A 28 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.0089) USER MOD Single : A 33 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.51) USER MOD Single : A 34 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.14) USER MOD Single : A 36 GLN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.639 K(o=-0.64,f=-0.065) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 58 SER OG : rot 50:sc= 1.22 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00988) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 2.744 -2.884 11.879 1.00 0.67 N ATOM 34 CA ARG A 5 3.389 -2.479 10.644 1.00 0.67 C ATOM 35 C ARG A 5 3.220 -3.623 9.654 1.00 0.49 C ATOM 36 O ARG A 5 3.741 -4.716 9.865 1.00 0.60 O ATOM 37 CB ARG A 5 4.856 -2.121 10.917 1.00 0.85 C ATOM 38 CG ARG A 5 5.605 -1.695 9.644 1.00 0.91 C ATOM 39 CD ARG A 5 6.046 -2.896 8.784 1.00 0.62 C ATOM 40 NE ARG A 5 7.441 -2.805 8.312 1.00 1.21 N ATOM 41 CZ ARG A 5 8.524 -2.990 9.089 1.00 1.21 C ATOM 42 NH1 ARG A 5 8.387 -3.014 10.418 1.00 2.59 N ATOM 43 NH2 ARG A 5 9.735 -3.158 8.544 1.00 1.64 N ATOM 0 HA ARG A 5 2.939 -1.582 10.218 1.00 0.67 H new ATOM 0 HB2 ARG A 5 4.900 -1.313 11.648 1.00 0.85 H new ATOM 0 HB3 ARG A 5 5.360 -2.980 11.361 1.00 0.85 H new ATOM 0 HG2 ARG A 5 4.963 -1.044 9.050 1.00 0.91 H new ATOM 0 HG3 ARG A 5 6.482 -1.110 9.922 1.00 0.91 H new ATOM 0 HD2 ARG A 5 5.927 -3.811 9.364 1.00 0.62 H new ATOM 0 HD3 ARG A 5 5.384 -2.977 7.922 1.00 0.62 H new ATOM 0 HE ARG A 5 7.595 -2.587 7.328 1.00 1.21 H new ATOM 0 HH11 ARG A 5 7.465 -2.893 10.838 1.00 2.59 H new ATOM 0 HH12 ARG A 5 9.204 -3.154 11.012 1.00 2.59 H new ATOM 0 HH21 ARG A 5 9.844 -3.147 7.530 1.00 1.64 H new ATOM 0 HH22 ARG A 5 10.549 -3.297 9.143 1.00 1.64 H new ATOM 57 N TYR A 6 2.485 -3.367 8.577 1.00 0.39 N ATOM 58 CA TYR A 6 2.366 -4.256 7.432 1.00 0.31 C ATOM 59 C TYR A 6 3.179 -3.703 6.265 1.00 0.34 C ATOM 60 O TYR A 6 3.384 -2.493 6.206 1.00 0.60 O ATOM 61 CB TYR A 6 0.901 -4.293 7.028 1.00 0.42 C ATOM 62 CG TYR A 6 -0.083 -4.658 8.108 1.00 0.47 C ATOM 63 CD1 TYR A 6 0.166 -5.748 8.960 1.00 1.75 C ATOM 64 CD2 TYR A 6 -1.361 -4.082 8.057 1.00 1.85 C ATOM 65 CE1 TYR A 6 -0.867 -6.237 9.780 1.00 1.84 C ATOM 66 CE2 TYR A 6 -2.404 -4.612 8.827 1.00 1.80 C ATOM 67 CZ TYR A 6 -2.135 -5.628 9.760 1.00 0.64 C ATOM 68 OH TYR A 6 -3.118 -6.088 10.580 1.00 0.85 O ATOM 0 H TYR A 6 1.941 -2.510 8.476 1.00 0.39 H new ATOM 0 HA TYR A 6 2.732 -5.251 7.687 1.00 0.31 H new ATOM 0 HB2 TYR A 6 0.630 -3.313 6.636 1.00 0.42 H new ATOM 0 HB3 TYR A 6 0.790 -5.005 6.210 1.00 0.42 H new ATOM 0 HD1 TYR A 6 1.143 -6.207 8.985 1.00 1.75 H new ATOM 0 HD2 TYR A 6 -1.541 -3.227 7.422 1.00 1.85 H new ATOM 0 HE1 TYR A 6 -0.686 -7.083 10.427 1.00 1.84 H new ATOM 0 HE2 TYR A 6 -3.411 -4.241 8.704 1.00 1.80 H new ATOM 0 HH TYR A 6 -3.931 -5.559 10.444 1.00 0.85 H new ATOM 78 N SER A 7 3.618 -4.556 5.328 1.00 0.24 N ATOM 79 CA SER A 7 4.334 -4.122 4.129 1.00 0.22 C ATOM 80 C SER A 7 4.008 -5.026 2.944 1.00 0.15 C ATOM 81 O SER A 7 3.589 -6.175 3.135 1.00 0.21 O ATOM 82 CB SER A 7 5.854 -4.131 4.408 1.00 0.39 C ATOM 83 OG SER A 7 6.546 -3.058 3.792 1.00 1.70 O ATOM 0 H SER A 7 3.484 -5.566 5.384 1.00 0.24 H new ATOM 0 HA SER A 7 4.017 -3.110 3.876 1.00 0.22 H new ATOM 0 HB2 SER A 7 6.018 -4.089 5.485 1.00 0.39 H new ATOM 0 HB3 SER A 7 6.275 -5.074 4.058 1.00 0.39 H new ATOM 0 HG SER A 7 5.911 -2.502 3.294 1.00 1.70 H new ATOM 89 N TRP A 8 4.190 -4.476 1.737 1.00 0.14 N ATOM 90 CA TRP A 8 4.105 -5.210 0.482 1.00 0.24 C ATOM 91 C TRP A 8 5.184 -4.752 -0.500 1.00 0.19 C ATOM 92 O TRP A 8 5.600 -3.592 -0.457 1.00 0.20 O ATOM 93 CB TRP A 8 2.717 -5.042 -0.145 1.00 0.41 C ATOM 94 CG TRP A 8 1.595 -5.311 0.795 1.00 0.33 C ATOM 95 CD1 TRP A 8 0.898 -6.448 0.942 1.00 0.34 C ATOM 96 CD2 TRP A 8 1.005 -4.454 1.787 1.00 0.32 C ATOM 97 NE1 TRP A 8 0.249 -6.395 2.172 1.00 0.33 N ATOM 98 CE2 TRP A 8 0.665 -5.258 2.886 1.00 0.32 C ATOM 99 CE3 TRP A 8 0.176 -3.322 1.733 1.00 0.37 C ATOM 100 CZ2 TRP A 8 0.264 -4.521 4.031 1.00 0.39 C ATOM 101 CZ3 TRP A 8 -1.019 -3.364 2.515 1.00 0.47 C ATOM 102 CH2 TRP A 8 -0.823 -3.675 3.843 1.00 0.36 C ATOM 0 H TRP A 8 4.405 -3.487 1.610 1.00 0.14 H new ATOM 0 HA TRP A 8 4.269 -6.265 0.701 1.00 0.24 H new ATOM 0 HB2 TRP A 8 2.622 -4.026 -0.527 1.00 0.41 H new ATOM 0 HB3 TRP A 8 2.631 -5.713 -0.999 1.00 0.41 H new ATOM 0 HD1 TRP A 8 0.849 -7.260 0.232 1.00 0.34 H new ATOM 0 HE1 TRP A 8 -0.429 -7.080 2.506 1.00 0.33 H new ATOM 0 HE3 TRP A 8 0.429 -2.462 1.130 1.00 0.37 H new ATOM 0 HZ2 TRP A 8 0.768 -4.611 4.982 1.00 0.39 H new ATOM 0 HZ3 TRP A 8 -1.996 -3.168 2.099 1.00 0.47 H new ATOM 0 HH2 TRP A 8 -1.443 -3.304 4.646 1.00 0.36 H new ATOM 113 N LYS A 9 5.570 -5.675 -1.390 1.00 0.23 N ATOM 114 CA LYS A 9 6.609 -5.544 -2.415 1.00 0.29 C ATOM 115 C LYS A 9 5.974 -5.245 -3.774 1.00 0.34 C ATOM 116 O LYS A 9 5.362 -6.140 -4.347 1.00 0.68 O ATOM 117 CB LYS A 9 7.448 -6.833 -2.484 1.00 0.45 C ATOM 118 CG LYS A 9 6.646 -8.149 -2.592 1.00 0.82 C ATOM 119 CD LYS A 9 7.506 -9.376 -2.291 1.00 0.81 C ATOM 120 CE LYS A 9 8.481 -9.674 -3.433 1.00 1.24 C ATOM 121 NZ LYS A 9 9.475 -10.683 -3.026 1.00 1.70 N ATOM 0 H LYS A 9 5.133 -6.596 -1.413 1.00 0.23 H new ATOM 0 HA LYS A 9 7.266 -4.715 -2.150 1.00 0.29 H new ATOM 0 HB2 LYS A 9 8.116 -6.764 -3.343 1.00 0.45 H new ATOM 0 HB3 LYS A 9 8.076 -6.884 -1.595 1.00 0.45 H new ATOM 0 HG2 LYS A 9 5.805 -8.118 -1.899 1.00 0.82 H new ATOM 0 HG3 LYS A 9 6.229 -8.237 -3.595 1.00 0.82 H new ATOM 0 HD2 LYS A 9 8.064 -9.213 -1.369 1.00 0.81 H new ATOM 0 HD3 LYS A 9 6.863 -10.240 -2.126 1.00 0.81 H new ATOM 0 HE2 LYS A 9 7.930 -10.031 -4.303 1.00 1.24 H new ATOM 0 HE3 LYS A 9 8.989 -8.757 -3.731 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 10.125 -10.869 -3.816 1.00 1.70 H new ATOM 0 HZ2 LYS A 9 10.014 -10.330 -2.210 1.00 1.70 H new ATOM 0 HZ3 LYS A 9 8.988 -11.564 -2.764 1.00 1.70 H new ATOM 135 N VAL A 10 6.054 -4.002 -4.259 1.00 0.47 N ATOM 136 CA VAL A 10 5.185 -3.477 -5.313 1.00 0.73 C ATOM 137 C VAL A 10 5.941 -3.116 -6.595 1.00 1.03 C ATOM 138 O VAL A 10 6.390 -1.983 -6.783 1.00 2.21 O ATOM 139 CB VAL A 10 4.319 -2.342 -4.746 1.00 0.91 C ATOM 140 CG1 VAL A 10 5.101 -1.149 -4.189 1.00 1.43 C ATOM 141 CG2 VAL A 10 3.239 -1.923 -5.749 1.00 1.72 C ATOM 0 H VAL A 10 6.736 -3.322 -3.924 1.00 0.47 H new ATOM 0 HA VAL A 10 4.511 -4.270 -5.638 1.00 0.73 H new ATOM 0 HB VAL A 10 3.827 -2.759 -3.868 1.00 0.91 H new ATOM 0 HG11 VAL A 10 4.404 -0.401 -3.812 1.00 1.43 H new ATOM 0 HG12 VAL A 10 5.747 -1.484 -3.377 1.00 1.43 H new ATOM 0 HG13 VAL A 10 5.710 -0.712 -4.980 1.00 1.43 H new ATOM 0 HG21 VAL A 10 2.640 -1.118 -5.323 1.00 1.72 H new ATOM 0 HG22 VAL A 10 3.711 -1.577 -6.668 1.00 1.72 H new ATOM 0 HG23 VAL A 10 2.597 -2.776 -5.970 1.00 1.72 H new ATOM 151 N SER A 11 6.039 -4.078 -7.516 1.00 0.55 N ATOM 152 CA SER A 11 6.833 -3.913 -8.729 1.00 0.53 C ATOM 153 C SER A 11 6.072 -3.062 -9.748 1.00 0.54 C ATOM 154 O SER A 11 5.547 -3.586 -10.728 1.00 1.00 O ATOM 155 CB SER A 11 7.258 -5.282 -9.278 1.00 0.74 C ATOM 156 OG SER A 11 8.197 -5.133 -10.327 1.00 1.73 O ATOM 0 H SER A 11 5.574 -4.983 -7.441 1.00 0.55 H new ATOM 0 HA SER A 11 7.752 -3.374 -8.498 1.00 0.53 H new ATOM 0 HB2 SER A 11 7.692 -5.881 -8.478 1.00 0.74 H new ATOM 0 HB3 SER A 11 6.383 -5.821 -9.641 1.00 0.74 H new ATOM 0 HG SER A 11 8.456 -6.017 -10.662 1.00 1.73 H new ATOM 162 N GLY A 12 6.020 -1.747 -9.515 1.00 0.53 N ATOM 163 CA GLY A 12 5.320 -0.818 -10.399 1.00 0.51 C ATOM 164 C GLY A 12 5.387 0.655 -9.976 1.00 0.63 C ATOM 165 O GLY A 12 5.248 1.537 -10.818 1.00 1.41 O ATOM 0 H GLY A 12 6.461 -1.301 -8.711 1.00 0.53 H new ATOM 0 HA2 GLY A 12 5.736 -0.912 -11.402 1.00 0.51 H new ATOM 0 HA3 GLY A 12 4.273 -1.116 -10.459 1.00 0.51 H new ATOM 169 N MET A 13 5.546 0.953 -8.683 1.00 0.37 N ATOM 170 CA MET A 13 5.568 2.328 -8.202 1.00 0.33 C ATOM 171 C MET A 13 6.938 2.970 -8.428 1.00 0.38 C ATOM 172 O MET A 13 7.926 2.512 -7.858 1.00 0.58 O ATOM 173 CB MET A 13 5.215 2.325 -6.717 1.00 0.43 C ATOM 174 CG MET A 13 3.721 2.067 -6.538 1.00 1.18 C ATOM 175 SD MET A 13 3.215 1.555 -4.887 1.00 1.86 S ATOM 176 CE MET A 13 4.135 2.715 -3.858 1.00 2.17 C ATOM 0 H MET A 13 5.662 0.252 -7.951 1.00 0.37 H new ATOM 0 HA MET A 13 4.839 2.918 -8.758 1.00 0.33 H new ATOM 0 HB2 MET A 13 5.790 1.557 -6.199 1.00 0.43 H new ATOM 0 HB3 MET A 13 5.484 3.281 -6.269 1.00 0.43 H new ATOM 0 HG2 MET A 13 3.179 2.976 -6.800 1.00 1.18 H new ATOM 0 HG3 MET A 13 3.415 1.298 -7.248 1.00 1.18 H new ATOM 0 HE1 MET A 13 4.006 2.452 -2.808 1.00 2.17 H new ATOM 0 HE2 MET A 13 5.193 2.670 -4.116 1.00 2.17 H new ATOM 0 HE3 MET A 13 3.763 3.726 -4.027 1.00 2.17 H new ATOM 186 N ASP A 14 6.983 4.052 -9.212 1.00 0.40 N ATOM 187 CA ASP A 14 8.211 4.691 -9.683 1.00 0.53 C ATOM 188 C ASP A 14 8.189 6.227 -9.577 1.00 0.48 C ATOM 189 O ASP A 14 9.207 6.858 -9.859 1.00 0.53 O ATOM 190 CB ASP A 14 8.441 4.263 -11.140 1.00 0.77 C ATOM 191 CG ASP A 14 7.257 4.618 -12.036 1.00 0.84 C ATOM 192 OD1 ASP A 14 6.833 5.791 -11.990 1.00 1.41 O ATOM 193 OD2 ASP A 14 6.762 3.707 -12.730 1.00 1.27 O ATOM 0 H ASP A 14 6.140 4.519 -9.545 1.00 0.40 H new ATOM 0 HA ASP A 14 9.026 4.365 -9.037 1.00 0.53 H new ATOM 0 HB2 ASP A 14 9.341 4.745 -11.521 1.00 0.77 H new ATOM 0 HB3 ASP A 14 8.615 3.188 -11.178 1.00 0.77 H new ATOM 198 N CYS A 15 7.072 6.829 -9.146 1.00 0.47 N ATOM 199 CA CYS A 15 6.833 8.262 -9.232 1.00 0.39 C ATOM 200 C CYS A 15 6.178 8.730 -7.935 1.00 0.31 C ATOM 201 O CYS A 15 5.382 8.000 -7.346 1.00 0.30 O ATOM 202 CB CYS A 15 5.900 8.595 -10.413 1.00 0.47 C ATOM 203 SG CYS A 15 6.145 7.557 -11.883 1.00 0.68 S ATOM 0 H CYS A 15 6.299 6.317 -8.721 1.00 0.47 H new ATOM 0 HA CYS A 15 7.786 8.768 -9.388 1.00 0.39 H new ATOM 0 HB2 CYS A 15 4.866 8.496 -10.082 1.00 0.47 H new ATOM 0 HB3 CYS A 15 6.046 9.638 -10.692 1.00 0.47 H new ATOM 208 N ALA A 16 6.442 9.972 -7.527 1.00 0.30 N ATOM 209 CA ALA A 16 5.802 10.555 -6.354 1.00 0.28 C ATOM 210 C ALA A 16 4.294 10.722 -6.568 1.00 0.21 C ATOM 211 O ALA A 16 3.517 10.643 -5.621 1.00 0.24 O ATOM 212 CB ALA A 16 6.456 11.901 -6.027 1.00 0.33 C ATOM 0 H ALA A 16 7.099 10.594 -7.997 1.00 0.30 H new ATOM 0 HA ALA A 16 5.938 9.877 -5.511 1.00 0.28 H new ATOM 0 HB1 ALA A 16 5.976 12.335 -5.150 1.00 0.33 H new ATOM 0 HB2 ALA A 16 7.516 11.750 -5.823 1.00 0.33 H new ATOM 0 HB3 ALA A 16 6.342 12.577 -6.875 1.00 0.33 H new ATOM 218 N ALA A 17 3.862 10.967 -7.808 1.00 0.22 N ATOM 219 CA ALA A 17 2.441 11.040 -8.125 1.00 0.22 C ATOM 220 C ALA A 17 1.785 9.668 -7.942 1.00 0.22 C ATOM 221 O ALA A 17 0.726 9.565 -7.322 1.00 0.24 O ATOM 222 CB ALA A 17 2.249 11.571 -9.547 1.00 0.25 C ATOM 0 H ALA A 17 4.479 11.118 -8.606 1.00 0.22 H new ATOM 0 HA ALA A 17 1.954 11.733 -7.439 1.00 0.22 H new ATOM 0 HB1 ALA A 17 1.184 11.622 -9.776 1.00 0.25 H new ATOM 0 HB2 ALA A 17 2.685 12.567 -9.626 1.00 0.25 H new ATOM 0 HB3 ALA A 17 2.740 10.903 -10.254 1.00 0.25 H new ATOM 228 N CYS A 18 2.435 8.621 -8.466 1.00 0.25 N ATOM 229 CA CYS A 18 2.040 7.237 -8.258 1.00 0.28 C ATOM 230 C CYS A 18 1.925 6.998 -6.756 1.00 0.22 C ATOM 231 O CYS A 18 0.857 6.633 -6.279 1.00 0.23 O ATOM 232 CB CYS A 18 3.031 6.272 -8.935 1.00 0.39 C ATOM 233 SG CYS A 18 3.027 6.544 -10.735 1.00 0.56 S ATOM 0 H CYS A 18 3.262 8.722 -9.054 1.00 0.25 H new ATOM 0 HA CYS A 18 1.073 7.043 -8.721 1.00 0.28 H new ATOM 0 HB2 CYS A 18 4.034 6.428 -8.537 1.00 0.39 H new ATOM 0 HB3 CYS A 18 2.757 5.241 -8.713 1.00 0.39 H new ATOM 0 HG CYS A 18 4.242 6.757 -11.144 1.00 0.56 H new ATOM 238 N ALA A 19 2.997 7.270 -6.005 1.00 0.22 N ATOM 239 CA ALA A 19 2.975 7.191 -4.552 1.00 0.25 C ATOM 240 C ALA A 19 1.750 7.886 -3.969 1.00 0.22 C ATOM 241 O ALA A 19 0.999 7.260 -3.233 1.00 0.26 O ATOM 242 CB ALA A 19 4.251 7.777 -3.960 1.00 0.31 C ATOM 0 H ALA A 19 3.899 7.550 -6.391 1.00 0.22 H new ATOM 0 HA ALA A 19 2.917 6.136 -4.284 1.00 0.25 H new ATOM 0 HB1 ALA A 19 4.213 7.708 -2.873 1.00 0.31 H new ATOM 0 HB2 ALA A 19 5.112 7.220 -4.329 1.00 0.31 H new ATOM 0 HB3 ALA A 19 4.342 8.823 -4.254 1.00 0.31 H new ATOM 248 N ARG A 20 1.510 9.156 -4.300 1.00 0.21 N ATOM 249 CA ARG A 20 0.373 9.857 -3.725 1.00 0.24 C ATOM 250 C ARG A 20 -0.943 9.145 -4.047 1.00 0.21 C ATOM 251 O ARG A 20 -1.801 8.982 -3.180 1.00 0.24 O ATOM 252 CB ARG A 20 0.335 11.330 -4.134 1.00 0.31 C ATOM 253 CG ARG A 20 0.211 12.196 -2.875 1.00 0.75 C ATOM 254 CD ARG A 20 0.035 13.678 -3.221 1.00 0.70 C ATOM 255 NE ARG A 20 1.296 14.265 -3.703 1.00 2.57 N ATOM 256 CZ ARG A 20 1.413 15.457 -4.310 1.00 3.83 C ATOM 257 NH1 ARG A 20 0.317 16.155 -4.632 1.00 3.56 N ATOM 258 NH2 ARG A 20 2.625 15.951 -4.588 1.00 5.74 N ATOM 0 H ARG A 20 2.075 9.705 -4.948 1.00 0.21 H new ATOM 0 HA ARG A 20 0.500 9.837 -2.643 1.00 0.24 H new ATOM 0 HB2 ARG A 20 1.240 11.592 -4.683 1.00 0.31 H new ATOM 0 HB3 ARG A 20 -0.507 11.514 -4.801 1.00 0.31 H new ATOM 0 HG2 ARG A 20 -0.639 11.857 -2.283 1.00 0.75 H new ATOM 0 HG3 ARG A 20 1.100 12.070 -2.258 1.00 0.75 H new ATOM 0 HD2 ARG A 20 -0.735 13.787 -3.984 1.00 0.70 H new ATOM 0 HD3 ARG A 20 -0.309 14.221 -2.341 1.00 0.70 H new ATOM 0 HE ARG A 20 2.149 13.723 -3.565 1.00 2.57 H new ATOM 0 HH11 ARG A 20 -0.607 15.781 -4.416 1.00 3.56 H new ATOM 0 HH12 ARG A 20 0.406 17.060 -5.093 1.00 3.56 H new ATOM 0 HH21 ARG A 20 3.461 15.422 -4.339 1.00 5.74 H new ATOM 0 HH22 ARG A 20 2.713 16.857 -5.049 1.00 5.74 H new ATOM 272 N LYS A 21 -1.117 8.699 -5.295 1.00 0.20 N ATOM 273 CA LYS A 21 -2.314 7.963 -5.646 1.00 0.23 C ATOM 274 C LYS A 21 -2.384 6.649 -4.871 1.00 0.21 C ATOM 275 O LYS A 21 -3.473 6.250 -4.478 1.00 0.29 O ATOM 276 CB LYS A 21 -2.409 7.730 -7.159 1.00 0.31 C ATOM 277 CG LYS A 21 -3.287 8.784 -7.853 1.00 0.72 C ATOM 278 CD LYS A 21 -3.886 8.241 -9.162 1.00 1.24 C ATOM 279 CE LYS A 21 -5.252 7.576 -8.907 1.00 2.02 C ATOM 280 NZ LYS A 21 -5.806 6.939 -10.121 1.00 2.87 N ATOM 0 H LYS A 21 -0.454 8.836 -6.058 1.00 0.20 H new ATOM 0 HA LYS A 21 -3.176 8.567 -5.362 1.00 0.23 H new ATOM 0 HB2 LYS A 21 -1.409 7.750 -7.592 1.00 0.31 H new ATOM 0 HB3 LYS A 21 -2.818 6.737 -7.347 1.00 0.31 H new ATOM 0 HG2 LYS A 21 -4.090 9.089 -7.183 1.00 0.72 H new ATOM 0 HG3 LYS A 21 -2.693 9.673 -8.064 1.00 0.72 H new ATOM 0 HD2 LYS A 21 -4.001 9.054 -9.879 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -3.202 7.518 -9.607 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -5.147 6.826 -8.123 1.00 2.02 H new ATOM 0 HE3 LYS A 21 -5.954 8.325 -8.540 1.00 2.02 H new ATOM 0 HZ1 LYS A 21 -6.725 6.506 -9.897 1.00 2.87 H new ATOM 0 HZ2 LYS A 21 -5.933 7.657 -10.863 1.00 2.87 H new ATOM 0 HZ3 LYS A 21 -5.151 6.205 -10.458 1.00 2.87 H new ATOM 294 N VAL A 22 -1.256 5.978 -4.641 1.00 0.19 N ATOM 295 CA VAL A 22 -1.208 4.736 -3.892 1.00 0.24 C ATOM 296 C VAL A 22 -1.638 5.027 -2.455 1.00 0.19 C ATOM 297 O VAL A 22 -2.574 4.407 -1.955 1.00 0.23 O ATOM 298 CB VAL A 22 0.203 4.127 -3.973 1.00 0.33 C ATOM 299 CG1 VAL A 22 0.345 2.876 -3.100 1.00 0.42 C ATOM 300 CG2 VAL A 22 0.571 3.767 -5.421 1.00 0.54 C ATOM 0 H VAL A 22 -0.344 6.290 -4.975 1.00 0.19 H new ATOM 0 HA VAL A 22 -1.891 3.998 -4.313 1.00 0.24 H new ATOM 0 HB VAL A 22 0.885 4.891 -3.600 1.00 0.33 H new ATOM 0 HG11 VAL A 22 1.357 2.482 -3.190 1.00 0.42 H new ATOM 0 HG12 VAL A 22 0.147 3.134 -2.060 1.00 0.42 H new ATOM 0 HG13 VAL A 22 -0.369 2.120 -3.428 1.00 0.42 H new ATOM 0 HG21 VAL A 22 1.573 3.339 -5.446 1.00 0.54 H new ATOM 0 HG22 VAL A 22 -0.144 3.041 -5.808 1.00 0.54 H new ATOM 0 HG23 VAL A 22 0.545 4.666 -6.037 1.00 0.54 H new ATOM 310 N GLU A 23 -0.977 5.973 -1.782 1.00 0.18 N ATOM 311 CA GLU A 23 -1.256 6.230 -0.383 1.00 0.22 C ATOM 312 C GLU A 23 -2.715 6.644 -0.228 1.00 0.21 C ATOM 313 O GLU A 23 -3.377 6.192 0.693 1.00 0.24 O ATOM 314 CB GLU A 23 -0.259 7.196 0.269 1.00 0.29 C ATOM 315 CG GLU A 23 -0.426 8.640 -0.181 1.00 0.31 C ATOM 316 CD GLU A 23 0.684 9.525 0.364 1.00 0.58 C ATOM 317 OE1 GLU A 23 0.498 10.023 1.493 1.00 1.53 O ATOM 318 OE2 GLU A 23 1.696 9.677 -0.354 1.00 2.06 O ATOM 0 H GLU A 23 -0.252 6.565 -2.187 1.00 0.18 H new ATOM 0 HA GLU A 23 -1.110 5.306 0.176 1.00 0.22 H new ATOM 0 HB2 GLU A 23 -0.373 7.146 1.352 1.00 0.29 H new ATOM 0 HB3 GLU A 23 0.755 6.868 0.040 1.00 0.29 H new ATOM 0 HG2 GLU A 23 -0.427 8.685 -1.270 1.00 0.31 H new ATOM 0 HG3 GLU A 23 -1.392 9.018 0.155 1.00 0.31 H new ATOM 325 N ASN A 24 -3.253 7.430 -1.161 1.00 0.22 N ATOM 326 CA ASN A 24 -4.683 7.718 -1.206 1.00 0.33 C ATOM 327 C ASN A 24 -5.519 6.445 -1.408 1.00 0.36 C ATOM 328 O ASN A 24 -6.490 6.213 -0.684 1.00 0.46 O ATOM 329 CB ASN A 24 -4.976 8.740 -2.310 1.00 0.41 C ATOM 330 CG ASN A 24 -4.931 10.168 -1.773 1.00 1.06 C ATOM 331 OD1 ASN A 24 -3.870 10.729 -1.530 1.00 2.70 O ATOM 332 ND2 ASN A 24 -6.096 10.777 -1.569 1.00 1.61 N ATOM 0 H ASN A 24 -2.713 7.881 -1.900 1.00 0.22 H new ATOM 0 HA ASN A 24 -4.970 8.139 -0.243 1.00 0.33 H new ATOM 0 HB2 ASN A 24 -4.248 8.629 -3.113 1.00 0.41 H new ATOM 0 HB3 ASN A 24 -5.958 8.542 -2.740 1.00 0.41 H new ATOM 0 HD21 ASN A 24 -6.117 11.729 -1.204 1.00 1.61 H new ATOM 0 HD22 ASN A 24 -6.969 10.292 -1.778 1.00 1.61 H new ATOM 339 N ALA A 25 -5.166 5.641 -2.414 1.00 0.36 N ATOM 340 CA ALA A 25 -5.872 4.427 -2.810 1.00 0.45 C ATOM 341 C ALA A 25 -5.996 3.443 -1.652 1.00 0.43 C ATOM 342 O ALA A 25 -6.994 2.733 -1.557 1.00 0.57 O ATOM 343 CB ALA A 25 -5.182 3.763 -4.005 1.00 0.52 C ATOM 0 H ALA A 25 -4.349 5.828 -2.995 1.00 0.36 H new ATOM 0 HA ALA A 25 -6.880 4.719 -3.106 1.00 0.45 H new ATOM 0 HB1 ALA A 25 -5.725 2.860 -4.283 1.00 0.52 H new ATOM 0 HB2 ALA A 25 -5.170 4.454 -4.848 1.00 0.52 H new ATOM 0 HB3 ALA A 25 -4.159 3.502 -3.735 1.00 0.52 H new ATOM 349 N VAL A 26 -4.992 3.397 -0.776 1.00 0.30 N ATOM 350 CA VAL A 26 -5.045 2.575 0.423 1.00 0.31 C ATOM 351 C VAL A 26 -5.705 3.361 1.566 1.00 0.31 C ATOM 352 O VAL A 26 -6.599 2.856 2.238 1.00 0.32 O ATOM 353 CB VAL A 26 -3.655 1.982 0.732 1.00 0.40 C ATOM 354 CG1 VAL A 26 -3.048 1.400 -0.534 1.00 1.92 C ATOM 355 CG2 VAL A 26 -2.677 2.957 1.377 1.00 1.58 C ATOM 0 H VAL A 26 -4.126 3.926 -0.880 1.00 0.30 H new ATOM 0 HA VAL A 26 -5.684 1.705 0.272 1.00 0.31 H new ATOM 0 HB VAL A 26 -3.825 1.202 1.474 1.00 0.40 H new ATOM 0 HG11 VAL A 26 -2.066 0.983 -0.308 1.00 1.92 H new ATOM 0 HG12 VAL A 26 -3.696 0.614 -0.920 1.00 1.92 H new ATOM 0 HG13 VAL A 26 -2.945 2.186 -1.283 1.00 1.92 H new ATOM 0 HG21 VAL A 26 -1.727 2.454 1.558 1.00 1.58 H new ATOM 0 HG22 VAL A 26 -2.517 3.805 0.712 1.00 1.58 H new ATOM 0 HG23 VAL A 26 -3.086 3.310 2.323 1.00 1.58 H new ATOM 365 N ARG A 27 -5.320 4.622 1.782 1.00 0.30 N ATOM 366 CA ARG A 27 -5.808 5.419 2.909 1.00 0.32 C ATOM 367 C ARG A 27 -7.335 5.513 2.926 1.00 0.39 C ATOM 368 O ARG A 27 -7.939 5.565 3.994 1.00 0.40 O ATOM 369 CB ARG A 27 -5.159 6.807 2.890 1.00 0.32 C ATOM 370 CG ARG A 27 -5.587 7.689 4.064 1.00 0.42 C ATOM 371 CD ARG A 27 -4.699 8.940 4.097 1.00 0.46 C ATOM 372 NE ARG A 27 -5.141 9.896 5.124 1.00 0.69 N ATOM 373 CZ ARG A 27 -6.165 10.754 4.987 1.00 2.11 C ATOM 374 NH1 ARG A 27 -6.895 10.745 3.866 1.00 3.71 N ATOM 375 NH2 ARG A 27 -6.454 11.614 5.970 1.00 2.15 N ATOM 0 H ARG A 27 -4.662 5.118 1.181 1.00 0.30 H new ATOM 0 HA ARG A 27 -5.520 4.914 3.831 1.00 0.32 H new ATOM 0 HB2 ARG A 27 -4.075 6.694 2.905 1.00 0.32 H new ATOM 0 HB3 ARG A 27 -5.414 7.308 1.956 1.00 0.32 H new ATOM 0 HG2 ARG A 27 -6.634 7.973 3.960 1.00 0.42 H new ATOM 0 HG3 ARG A 27 -5.498 7.139 5.001 1.00 0.42 H new ATOM 0 HD2 ARG A 27 -3.667 8.648 4.292 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -4.715 9.423 3.120 1.00 0.46 H new ATOM 0 HE ARG A 27 -4.631 9.908 6.007 1.00 0.69 H new ATOM 0 HH11 ARG A 27 -6.673 10.088 3.118 1.00 3.71 H new ATOM 0 HH12 ARG A 27 -7.673 11.395 3.759 1.00 3.71 H new ATOM 0 HH21 ARG A 27 -5.896 11.618 6.824 1.00 2.15 H new ATOM 0 HH22 ARG A 27 -7.232 12.265 5.865 1.00 2.15 H new ATOM 389 N GLN A 28 -7.963 5.533 1.749 1.00 0.46 N ATOM 390 CA GLN A 28 -9.413 5.591 1.625 1.00 0.54 C ATOM 391 C GLN A 28 -10.143 4.426 2.307 1.00 0.47 C ATOM 392 O GLN A 28 -11.349 4.531 2.506 1.00 0.51 O ATOM 393 CB GLN A 28 -9.835 5.757 0.161 1.00 0.70 C ATOM 394 CG GLN A 28 -9.485 4.507 -0.639 1.00 0.78 C ATOM 395 CD GLN A 28 -9.798 4.659 -2.123 1.00 0.98 C ATOM 396 OE1 GLN A 28 -10.568 3.892 -2.691 1.00 1.17 O ATOM 397 NE2 GLN A 28 -9.213 5.664 -2.769 1.00 1.04 N ATOM 0 H GLN A 28 -7.474 5.509 0.854 1.00 0.46 H new ATOM 0 HA GLN A 28 -9.728 6.479 2.173 1.00 0.54 H new ATOM 0 HB2 GLN A 28 -10.907 5.944 0.104 1.00 0.70 H new ATOM 0 HB3 GLN A 28 -9.337 6.625 -0.271 1.00 0.70 H new ATOM 0 HG2 GLN A 28 -8.425 4.285 -0.515 1.00 0.78 H new ATOM 0 HG3 GLN A 28 -10.038 3.657 -0.239 1.00 0.78 H new ATOM 0 HE21 GLN A 28 -8.576 6.288 -2.273 1.00 1.04 H new ATOM 0 HE22 GLN A 28 -9.401 5.811 -3.761 1.00 1.04 H new ATOM 406 N LEU A 29 -9.464 3.308 2.602 1.00 0.39 N ATOM 407 CA LEU A 29 -10.129 2.096 3.059 1.00 0.39 C ATOM 408 C LEU A 29 -10.881 2.313 4.377 1.00 0.36 C ATOM 409 O LEU A 29 -12.108 2.353 4.371 1.00 0.41 O ATOM 410 CB LEU A 29 -9.096 0.971 3.159 1.00 0.35 C ATOM 411 CG LEU A 29 -8.525 0.607 1.780 1.00 0.39 C ATOM 412 CD1 LEU A 29 -7.245 -0.199 1.981 1.00 0.42 C ATOM 413 CD2 LEU A 29 -9.532 -0.182 0.944 1.00 0.57 C ATOM 0 H LEU A 29 -8.450 3.226 2.529 1.00 0.39 H new ATOM 0 HA LEU A 29 -10.891 1.812 2.333 1.00 0.39 H new ATOM 0 HB2 LEU A 29 -8.285 1.278 3.820 1.00 0.35 H new ATOM 0 HB3 LEU A 29 -9.557 0.091 3.607 1.00 0.35 H new ATOM 0 HG LEU A 29 -8.307 1.524 1.232 1.00 0.39 H new ATOM 0 HD11 LEU A 29 -6.827 -0.466 1.010 1.00 0.42 H new ATOM 0 HD12 LEU A 29 -6.522 0.399 2.536 1.00 0.42 H new ATOM 0 HD13 LEU A 29 -7.471 -1.107 2.540 1.00 0.42 H new ATOM 0 HD21 LEU A 29 -9.093 -0.421 -0.024 1.00 0.57 H new ATOM 0 HD22 LEU A 29 -9.792 -1.105 1.463 1.00 0.57 H new ATOM 0 HD23 LEU A 29 -10.431 0.417 0.797 1.00 0.57 H new ATOM 425 N ALA A 30 -10.148 2.408 5.496 1.00 0.30 N ATOM 426 CA ALA A 30 -10.650 2.551 6.862 1.00 0.32 C ATOM 427 C ALA A 30 -9.560 2.191 7.879 1.00 0.28 C ATOM 428 O ALA A 30 -9.039 3.059 8.567 1.00 0.28 O ATOM 429 CB ALA A 30 -11.856 1.639 7.086 1.00 0.36 C ATOM 0 H ALA A 30 -9.129 2.385 5.465 1.00 0.30 H new ATOM 0 HA ALA A 30 -10.947 3.591 7.001 1.00 0.32 H new ATOM 0 HB1 ALA A 30 -12.217 1.758 8.108 1.00 0.36 H new ATOM 0 HB2 ALA A 30 -12.649 1.906 6.387 1.00 0.36 H new ATOM 0 HB3 ALA A 30 -11.563 0.602 6.923 1.00 0.36 H new ATOM 435 N GLY A 31 -9.243 0.893 7.980 1.00 0.29 N ATOM 436 CA GLY A 31 -8.325 0.307 8.959 1.00 0.31 C ATOM 437 C GLY A 31 -6.997 1.056 9.076 1.00 0.28 C ATOM 438 O GLY A 31 -6.417 1.149 10.155 1.00 0.32 O ATOM 0 H GLY A 31 -9.639 0.194 7.352 1.00 0.29 H new ATOM 0 HA2 GLY A 31 -8.810 0.290 9.935 1.00 0.31 H new ATOM 0 HA3 GLY A 31 -8.126 -0.729 8.684 1.00 0.31 H new ATOM 442 N VAL A 32 -6.483 1.505 7.929 1.00 0.26 N ATOM 443 CA VAL A 32 -5.202 2.156 7.787 1.00 0.24 C ATOM 444 C VAL A 32 -5.179 3.528 8.463 1.00 0.26 C ATOM 445 O VAL A 32 -5.966 4.411 8.133 1.00 0.32 O ATOM 446 CB VAL A 32 -4.773 2.152 6.319 1.00 0.29 C ATOM 447 CG1 VAL A 32 -5.918 2.416 5.355 1.00 0.29 C ATOM 448 CG2 VAL A 32 -3.673 3.169 6.059 1.00 0.36 C ATOM 0 H VAL A 32 -6.979 1.415 7.042 1.00 0.26 H new ATOM 0 HA VAL A 32 -4.443 1.587 8.325 1.00 0.24 H new ATOM 0 HB VAL A 32 -4.403 1.144 6.135 1.00 0.29 H new ATOM 0 HG11 VAL A 32 -5.543 2.399 4.332 1.00 0.29 H new ATOM 0 HG12 VAL A 32 -6.680 1.646 5.475 1.00 0.29 H new ATOM 0 HG13 VAL A 32 -6.353 3.393 5.566 1.00 0.29 H new ATOM 0 HG21 VAL A 32 -3.392 3.140 5.006 1.00 0.36 H new ATOM 0 HG22 VAL A 32 -4.033 4.167 6.311 1.00 0.36 H new ATOM 0 HG23 VAL A 32 -2.805 2.931 6.673 1.00 0.36 H new ATOM 458 N ASN A 33 -4.232 3.690 9.388 1.00 0.25 N ATOM 459 CA ASN A 33 -4.027 4.880 10.193 1.00 0.31 C ATOM 460 C ASN A 33 -2.895 5.709 9.602 1.00 0.29 C ATOM 461 O ASN A 33 -3.092 6.886 9.306 1.00 0.39 O ATOM 462 CB ASN A 33 -3.711 4.459 11.633 1.00 0.38 C ATOM 463 CG ASN A 33 -4.941 3.829 12.277 1.00 0.73 C ATOM 464 OD1 ASN A 33 -6.025 4.401 12.233 1.00 1.04 O ATOM 465 ND2 ASN A 33 -4.818 2.650 12.872 1.00 1.00 N ATOM 0 H ASN A 33 -3.558 2.955 9.601 1.00 0.25 H new ATOM 0 HA ASN A 33 -4.928 5.493 10.197 1.00 0.31 H new ATOM 0 HB2 ASN A 33 -2.884 3.749 11.639 1.00 0.38 H new ATOM 0 HB3 ASN A 33 -3.392 5.326 12.212 1.00 0.38 H new ATOM 0 HD21 ASN A 33 -5.631 2.208 13.300 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -3.910 2.186 12.901 1.00 1.00 H new ATOM 472 N GLN A 34 -1.717 5.099 9.419 1.00 0.23 N ATOM 473 CA GLN A 34 -0.578 5.745 8.775 1.00 0.24 C ATOM 474 C GLN A 34 -0.256 4.985 7.492 1.00 0.27 C ATOM 475 O GLN A 34 -0.305 3.753 7.461 1.00 0.49 O ATOM 476 CB GLN A 34 0.631 5.803 9.724 1.00 0.32 C ATOM 477 CG GLN A 34 1.758 6.721 9.237 1.00 0.32 C ATOM 478 CD GLN A 34 1.361 8.190 9.315 1.00 0.48 C ATOM 479 OE1 GLN A 34 0.905 8.768 8.335 1.00 1.29 O ATOM 480 NE2 GLN A 34 1.516 8.802 10.486 1.00 1.77 N ATOM 0 H GLN A 34 -1.532 4.141 9.716 1.00 0.23 H new ATOM 0 HA GLN A 34 -0.825 6.777 8.527 1.00 0.24 H new ATOM 0 HB2 GLN A 34 0.296 6.144 10.704 1.00 0.32 H new ATOM 0 HB3 GLN A 34 1.027 4.796 9.855 1.00 0.32 H new ATOM 0 HG2 GLN A 34 2.651 6.553 9.840 1.00 0.32 H new ATOM 0 HG3 GLN A 34 2.015 6.468 8.209 1.00 0.32 H new ATOM 0 HE21 GLN A 34 1.899 8.291 11.282 1.00 1.77 H new ATOM 0 HE22 GLN A 34 1.252 9.782 10.588 1.00 1.77 H new ATOM 489 N VAL A 35 0.066 5.733 6.437 1.00 0.27 N ATOM 490 CA VAL A 35 0.510 5.235 5.158 1.00 0.36 C ATOM 491 C VAL A 35 1.970 5.638 4.986 1.00 0.31 C ATOM 492 O VAL A 35 2.340 6.757 5.338 1.00 0.41 O ATOM 493 CB VAL A 35 -0.361 5.848 4.050 1.00 0.64 C ATOM 494 CG1 VAL A 35 -1.686 5.095 3.946 1.00 1.49 C ATOM 495 CG2 VAL A 35 -0.651 7.351 4.212 1.00 2.43 C ATOM 0 H VAL A 35 0.018 6.752 6.464 1.00 0.27 H new ATOM 0 HA VAL A 35 0.420 4.150 5.101 1.00 0.36 H new ATOM 0 HB VAL A 35 0.227 5.746 3.138 1.00 0.64 H new ATOM 0 HG11 VAL A 35 -2.295 5.538 3.158 1.00 1.49 H new ATOM 0 HG12 VAL A 35 -1.492 4.049 3.710 1.00 1.49 H new ATOM 0 HG13 VAL A 35 -2.217 5.161 4.895 1.00 1.49 H new ATOM 0 HG21 VAL A 35 -1.272 7.693 3.384 1.00 2.43 H new ATOM 0 HG22 VAL A 35 -1.175 7.521 5.153 1.00 2.43 H new ATOM 0 HG23 VAL A 35 0.288 7.905 4.215 1.00 2.43 H new ATOM 505 N GLN A 36 2.799 4.742 4.450 1.00 0.29 N ATOM 506 CA GLN A 36 4.175 5.054 4.109 1.00 0.32 C ATOM 507 C GLN A 36 4.526 4.258 2.854 1.00 0.32 C ATOM 508 O GLN A 36 4.980 3.116 2.933 1.00 0.32 O ATOM 509 CB GLN A 36 5.073 4.727 5.305 1.00 0.36 C ATOM 510 CG GLN A 36 6.527 5.143 5.052 1.00 0.44 C ATOM 511 CD GLN A 36 7.436 4.666 6.172 1.00 0.75 C ATOM 512 OE1 GLN A 36 8.080 5.455 6.853 1.00 1.88 O ATOM 513 NE2 GLN A 36 7.499 3.354 6.365 1.00 0.48 N ATOM 0 H GLN A 36 2.529 3.781 4.242 1.00 0.29 H new ATOM 0 HA GLN A 36 4.322 6.112 3.893 1.00 0.32 H new ATOM 0 HB2 GLN A 36 4.698 5.237 6.192 1.00 0.36 H new ATOM 0 HB3 GLN A 36 5.031 3.657 5.510 1.00 0.36 H new ATOM 0 HG2 GLN A 36 6.867 4.729 4.103 1.00 0.44 H new ATOM 0 HG3 GLN A 36 6.588 6.228 4.967 1.00 0.44 H new ATOM 0 HE21 GLN A 36 6.949 2.725 5.779 1.00 0.48 H new ATOM 0 HE22 GLN A 36 8.097 2.975 7.099 1.00 0.48 H new ATOM 522 N VAL A 37 4.269 4.853 1.687 1.00 0.31 N ATOM 523 CA VAL A 37 4.413 4.186 0.406 1.00 0.24 C ATOM 524 C VAL A 37 5.719 4.638 -0.260 1.00 0.31 C ATOM 525 O VAL A 37 5.824 5.758 -0.755 1.00 0.53 O ATOM 526 CB VAL A 37 3.122 4.340 -0.420 1.00 0.45 C ATOM 527 CG1 VAL A 37 1.881 4.080 0.447 1.00 1.84 C ATOM 528 CG2 VAL A 37 2.968 5.684 -1.129 1.00 1.25 C ATOM 0 H VAL A 37 3.953 5.820 1.612 1.00 0.31 H new ATOM 0 HA VAL A 37 4.522 3.107 0.517 1.00 0.24 H new ATOM 0 HB VAL A 37 3.209 3.588 -1.204 1.00 0.45 H new ATOM 0 HG11 VAL A 37 0.983 4.195 -0.160 1.00 1.84 H new ATOM 0 HG12 VAL A 37 1.922 3.067 0.846 1.00 1.84 H new ATOM 0 HG13 VAL A 37 1.856 4.794 1.271 1.00 1.84 H new ATOM 0 HG21 VAL A 37 2.030 5.697 -1.684 1.00 1.25 H new ATOM 0 HG22 VAL A 37 2.965 6.486 -0.391 1.00 1.25 H new ATOM 0 HG23 VAL A 37 3.800 5.829 -1.819 1.00 1.25 H new ATOM 538 N LEU A 38 6.751 3.788 -0.226 1.00 0.28 N ATOM 539 CA LEU A 38 8.077 4.117 -0.708 1.00 0.33 C ATOM 540 C LEU A 38 8.244 3.528 -2.109 1.00 0.33 C ATOM 541 O LEU A 38 8.828 2.459 -2.316 1.00 0.33 O ATOM 542 CB LEU A 38 9.123 3.634 0.301 1.00 0.36 C ATOM 543 CG LEU A 38 10.537 4.067 -0.099 1.00 0.42 C ATOM 544 CD1 LEU A 38 10.733 5.586 -0.076 1.00 0.56 C ATOM 545 CD2 LEU A 38 11.555 3.401 0.829 1.00 0.47 C ATOM 0 H LEU A 38 6.677 2.841 0.145 1.00 0.28 H new ATOM 0 HA LEU A 38 8.220 5.194 -0.795 1.00 0.33 H new ATOM 0 HB2 LEU A 38 8.887 4.030 1.288 1.00 0.36 H new ATOM 0 HB3 LEU A 38 9.082 2.547 0.376 1.00 0.36 H new ATOM 0 HG LEU A 38 10.689 3.747 -1.130 1.00 0.42 H new ATOM 0 HD11 LEU A 38 11.755 5.825 -0.369 1.00 0.56 H new ATOM 0 HD12 LEU A 38 10.037 6.053 -0.773 1.00 0.56 H new ATOM 0 HD13 LEU A 38 10.547 5.962 0.930 1.00 0.56 H new ATOM 0 HD21 LEU A 38 12.562 3.708 0.545 1.00 0.47 H new ATOM 0 HD22 LEU A 38 11.360 3.702 1.858 1.00 0.47 H new ATOM 0 HD23 LEU A 38 11.469 2.318 0.745 1.00 0.47 H new ATOM 557 N PHE A 39 7.711 4.274 -3.075 1.00 0.37 N ATOM 558 CA PHE A 39 7.924 4.048 -4.493 1.00 0.37 C ATOM 559 C PHE A 39 9.420 4.033 -4.826 1.00 0.39 C ATOM 560 O PHE A 39 10.245 4.462 -4.017 1.00 0.39 O ATOM 561 CB PHE A 39 7.200 5.145 -5.276 1.00 0.41 C ATOM 562 CG PHE A 39 7.908 6.481 -5.284 1.00 0.22 C ATOM 563 CD1 PHE A 39 7.728 7.416 -4.249 1.00 1.82 C ATOM 564 CD2 PHE A 39 8.738 6.798 -6.370 1.00 1.67 C ATOM 565 CE1 PHE A 39 8.234 8.718 -4.393 1.00 1.98 C ATOM 566 CE2 PHE A 39 9.215 8.104 -6.534 1.00 1.60 C ATOM 567 CZ PHE A 39 8.937 9.073 -5.558 1.00 0.63 C ATOM 0 H PHE A 39 7.105 5.071 -2.882 1.00 0.37 H new ATOM 0 HA PHE A 39 7.522 3.074 -4.773 1.00 0.37 H new ATOM 0 HB2 PHE A 39 7.068 4.812 -6.305 1.00 0.41 H new ATOM 0 HB3 PHE A 39 6.204 5.278 -4.854 1.00 0.41 H new ATOM 0 HD1 PHE A 39 7.203 7.134 -3.348 1.00 1.82 H new ATOM 0 HD2 PHE A 39 9.010 6.032 -7.081 1.00 1.67 H new ATOM 0 HE1 PHE A 39 8.083 9.446 -3.610 1.00 1.98 H new ATOM 0 HE2 PHE A 39 9.794 8.364 -7.408 1.00 1.60 H new ATOM 0 HZ PHE A 39 9.263 10.092 -5.702 1.00 0.63 H new ATOM 577 N ALA A 40 9.774 3.516 -6.007 1.00 0.43 N ATOM 578 CA ALA A 40 11.137 3.351 -6.514 1.00 0.45 C ATOM 579 C ALA A 40 11.885 2.241 -5.769 1.00 0.41 C ATOM 580 O ALA A 40 12.465 1.358 -6.392 1.00 0.55 O ATOM 581 CB ALA A 40 11.912 4.675 -6.538 1.00 0.52 C ATOM 0 H ALA A 40 9.076 3.183 -6.672 1.00 0.43 H new ATOM 0 HA ALA A 40 11.058 3.032 -7.553 1.00 0.45 H new ATOM 0 HB1 ALA A 40 12.917 4.501 -6.922 1.00 0.52 H new ATOM 0 HB2 ALA A 40 11.396 5.387 -7.182 1.00 0.52 H new ATOM 0 HB3 ALA A 40 11.974 5.079 -5.527 1.00 0.52 H new ATOM 587 N THR A 41 11.811 2.242 -4.436 1.00 0.40 N ATOM 588 CA THR A 41 12.303 1.170 -3.580 1.00 0.36 C ATOM 589 C THR A 41 11.331 -0.023 -3.573 1.00 0.45 C ATOM 590 O THR A 41 11.551 -0.979 -2.836 1.00 0.82 O ATOM 591 CB THR A 41 12.523 1.728 -2.163 1.00 0.48 C ATOM 592 OG1 THR A 41 13.209 2.967 -2.221 1.00 0.92 O ATOM 593 CG2 THR A 41 13.348 0.812 -1.252 1.00 0.89 C ATOM 0 H THR A 41 11.395 3.012 -3.912 1.00 0.40 H new ATOM 0 HA THR A 41 13.252 0.799 -3.968 1.00 0.36 H new ATOM 0 HB THR A 41 11.521 1.826 -1.744 1.00 0.48 H new ATOM 0 HG1 THR A 41 13.618 3.155 -1.351 1.00 0.92 H new ATOM 0 HG21 THR A 41 13.458 1.277 -0.272 1.00 0.89 H new ATOM 0 HG22 THR A 41 12.841 -0.147 -1.144 1.00 0.89 H new ATOM 0 HG23 THR A 41 14.333 0.654 -1.691 1.00 0.89 H new ATOM 601 N GLU A 42 10.258 0.016 -4.376 1.00 0.45 N ATOM 602 CA GLU A 42 9.390 -1.130 -4.603 1.00 0.51 C ATOM 603 C GLU A 42 8.683 -1.567 -3.318 1.00 0.39 C ATOM 604 O GLU A 42 8.358 -2.747 -3.199 1.00 0.50 O ATOM 605 CB GLU A 42 10.227 -2.284 -5.206 1.00 0.75 C ATOM 606 CG GLU A 42 9.398 -3.312 -5.991 1.00 1.39 C ATOM 607 CD GLU A 42 9.932 -4.736 -5.868 1.00 2.84 C ATOM 608 OE1 GLU A 42 11.171 -4.890 -5.914 1.00 3.40 O ATOM 609 OE2 GLU A 42 9.086 -5.650 -5.738 1.00 4.10 O ATOM 0 H GLU A 42 9.973 0.852 -4.886 1.00 0.45 H new ATOM 0 HA GLU A 42 8.607 -0.847 -5.306 1.00 0.51 H new ATOM 0 HB2 GLU A 42 10.985 -1.863 -5.867 1.00 0.75 H new ATOM 0 HB3 GLU A 42 10.754 -2.796 -4.401 1.00 0.75 H new ATOM 0 HG2 GLU A 42 8.368 -3.285 -5.636 1.00 1.39 H new ATOM 0 HG3 GLU A 42 9.380 -3.027 -7.043 1.00 1.39 H new ATOM 616 N LYS A 43 8.386 -0.667 -2.362 1.00 0.29 N ATOM 617 CA LYS A 43 7.639 -1.115 -1.197 1.00 0.33 C ATOM 618 C LYS A 43 6.644 -0.117 -0.652 1.00 0.35 C ATOM 619 O LYS A 43 6.840 1.094 -0.710 1.00 0.50 O ATOM 620 CB LYS A 43 8.542 -1.732 -0.125 1.00 0.47 C ATOM 621 CG LYS A 43 9.286 -0.788 0.821 1.00 1.00 C ATOM 622 CD LYS A 43 8.400 -0.126 1.887 1.00 0.81 C ATOM 623 CE LYS A 43 9.188 0.171 3.168 1.00 1.38 C ATOM 624 NZ LYS A 43 9.554 -1.072 3.880 1.00 2.05 N ATOM 0 H LYS A 43 8.640 0.321 -2.377 1.00 0.29 H new ATOM 0 HA LYS A 43 7.005 -1.921 -1.567 1.00 0.33 H new ATOM 0 HB2 LYS A 43 7.930 -2.399 0.483 1.00 0.47 H new ATOM 0 HB3 LYS A 43 9.284 -2.351 -0.630 1.00 0.47 H new ATOM 0 HG2 LYS A 43 10.079 -1.345 1.320 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.767 -0.008 0.231 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.984 0.801 1.491 1.00 0.81 H new ATOM 0 HD3 LYS A 43 7.559 -0.779 2.119 1.00 0.81 H new ATOM 0 HE2 LYS A 43 10.091 0.729 2.920 1.00 1.38 H new ATOM 0 HE3 LYS A 43 8.592 0.805 3.824 1.00 1.38 H new ATOM 0 HZ1 LYS A 43 9.739 -0.857 4.881 1.00 2.05 H new ATOM 0 HZ2 LYS A 43 8.772 -1.754 3.811 1.00 2.05 H new ATOM 0 HZ3 LYS A 43 10.408 -1.480 3.450 1.00 2.05 H new ATOM 638 N LEU A 44 5.579 -0.658 -0.066 1.00 0.26 N ATOM 639 CA LEU A 44 4.605 0.093 0.682 1.00 0.20 C ATOM 640 C LEU A 44 4.563 -0.508 2.074 1.00 0.18 C ATOM 641 O LEU A 44 4.767 -1.714 2.216 1.00 0.26 O ATOM 642 CB LEU A 44 3.295 0.139 -0.108 1.00 0.30 C ATOM 643 CG LEU A 44 2.107 -0.596 0.469 1.00 0.43 C ATOM 644 CD1 LEU A 44 1.629 0.070 1.744 1.00 0.76 C ATOM 645 CD2 LEU A 44 0.995 -0.552 -0.561 1.00 0.56 C ATOM 0 H LEU A 44 5.375 -1.657 -0.106 1.00 0.26 H new ATOM 0 HA LEU A 44 4.850 1.146 0.822 1.00 0.20 H new ATOM 0 HB2 LEU A 44 3.015 1.185 -0.234 1.00 0.30 H new ATOM 0 HB3 LEU A 44 3.488 -0.262 -1.103 1.00 0.30 H new ATOM 0 HG LEU A 44 2.389 -1.622 0.705 1.00 0.43 H new ATOM 0 HD11 LEU A 44 0.773 -0.476 2.141 1.00 0.76 H new ATOM 0 HD12 LEU A 44 2.434 0.068 2.479 1.00 0.76 H new ATOM 0 HD13 LEU A 44 1.336 1.098 1.530 1.00 0.76 H new ATOM 0 HD21 LEU A 44 0.120 -1.075 -0.175 1.00 0.56 H new ATOM 0 HD22 LEU A 44 0.734 0.485 -0.771 1.00 0.56 H new ATOM 0 HD23 LEU A 44 1.330 -1.034 -1.479 1.00 0.56 H new ATOM 657 N VAL A 45 4.376 0.347 3.079 1.00 0.24 N ATOM 658 CA VAL A 45 4.185 0.047 4.472 1.00 0.25 C ATOM 659 C VAL A 45 2.876 0.732 4.852 1.00 0.23 C ATOM 660 O VAL A 45 2.612 1.862 4.430 1.00 0.25 O ATOM 661 CB VAL A 45 5.369 0.569 5.303 1.00 0.32 C ATOM 662 CG1 VAL A 45 4.950 0.923 6.730 1.00 0.31 C ATOM 663 CG2 VAL A 45 6.478 -0.479 5.375 1.00 0.44 C ATOM 0 H VAL A 45 4.355 1.353 2.909 1.00 0.24 H new ATOM 0 HA VAL A 45 4.137 -1.025 4.665 1.00 0.25 H new ATOM 0 HB VAL A 45 5.729 1.469 4.804 1.00 0.32 H new ATOM 0 HG11 VAL A 45 5.815 1.288 7.283 1.00 0.31 H new ATOM 0 HG12 VAL A 45 4.184 1.698 6.703 1.00 0.31 H new ATOM 0 HG13 VAL A 45 4.552 0.036 7.223 1.00 0.31 H new ATOM 0 HG21 VAL A 45 7.307 -0.091 5.967 1.00 0.44 H new ATOM 0 HG22 VAL A 45 6.092 -1.386 5.841 1.00 0.44 H new ATOM 0 HG23 VAL A 45 6.827 -0.709 4.368 1.00 0.44 H new ATOM 673 N VAL A 46 2.068 0.023 5.631 1.00 0.24 N ATOM 674 CA VAL A 46 0.799 0.482 6.157 1.00 0.19 C ATOM 675 C VAL A 46 0.775 0.165 7.645 1.00 0.19 C ATOM 676 O VAL A 46 1.110 -0.959 8.030 1.00 0.31 O ATOM 677 CB VAL A 46 -0.317 -0.241 5.386 1.00 0.28 C ATOM 678 CG1 VAL A 46 -1.600 -0.468 6.182 1.00 0.59 C ATOM 679 CG2 VAL A 46 -0.686 0.547 4.128 1.00 0.33 C ATOM 0 H VAL A 46 2.294 -0.928 5.923 1.00 0.24 H new ATOM 0 HA VAL A 46 0.654 1.555 6.035 1.00 0.19 H new ATOM 0 HB VAL A 46 0.099 -1.221 5.151 1.00 0.28 H new ATOM 0 HG11 VAL A 46 -2.329 -0.984 5.557 1.00 0.59 H new ATOM 0 HG12 VAL A 46 -1.381 -1.075 7.060 1.00 0.59 H new ATOM 0 HG13 VAL A 46 -2.007 0.493 6.497 1.00 0.59 H new ATOM 0 HG21 VAL A 46 -1.477 0.025 3.591 1.00 0.33 H new ATOM 0 HG22 VAL A 46 -1.034 1.541 4.410 1.00 0.33 H new ATOM 0 HG23 VAL A 46 0.190 0.638 3.486 1.00 0.33 H new ATOM 689 N ASP A 47 0.333 1.129 8.456 1.00 0.16 N ATOM 690 CA ASP A 47 0.061 0.920 9.864 1.00 0.21 C ATOM 691 C ASP A 47 -1.453 0.955 9.992 1.00 0.26 C ATOM 692 O ASP A 47 -2.063 2.008 9.794 1.00 0.34 O ATOM 693 CB ASP A 47 0.726 1.998 10.729 1.00 0.32 C ATOM 694 CG ASP A 47 2.252 1.915 10.770 1.00 0.83 C ATOM 695 OD1 ASP A 47 2.867 1.873 9.681 1.00 1.82 O ATOM 696 OD2 ASP A 47 2.789 1.925 11.900 1.00 1.71 O ATOM 0 H ASP A 47 0.155 2.083 8.142 1.00 0.16 H new ATOM 0 HA ASP A 47 0.469 -0.027 10.216 1.00 0.21 H new ATOM 0 HB2 ASP A 47 0.437 2.979 10.353 1.00 0.32 H new ATOM 0 HB3 ASP A 47 0.342 1.920 11.746 1.00 0.32 H new ATOM 701 N ALA A 48 -2.051 -0.211 10.240 1.00 0.28 N ATOM 702 CA ALA A 48 -3.491 -0.407 10.286 1.00 0.35 C ATOM 703 C ALA A 48 -3.878 -1.174 11.537 1.00 0.49 C ATOM 704 O ALA A 48 -3.528 -2.345 11.680 1.00 0.83 O ATOM 705 CB ALA A 48 -3.954 -1.202 9.067 1.00 0.40 C ATOM 0 H ALA A 48 -1.526 -1.067 10.419 1.00 0.28 H new ATOM 0 HA ALA A 48 -3.967 0.574 10.292 1.00 0.35 H new ATOM 0 HB1 ALA A 48 -5.034 -1.342 9.113 1.00 0.40 H new ATOM 0 HB2 ALA A 48 -3.697 -0.657 8.158 1.00 0.40 H new ATOM 0 HB3 ALA A 48 -3.462 -2.175 9.059 1.00 0.40 H new ATOM 711 N ASP A 49 -4.667 -0.534 12.395 1.00 0.40 N ATOM 712 CA ASP A 49 -5.104 -1.103 13.659 1.00 0.53 C ATOM 713 C ASP A 49 -6.509 -1.659 13.459 1.00 0.55 C ATOM 714 O ASP A 49 -7.468 -1.246 14.107 1.00 0.64 O ATOM 715 CB ASP A 49 -5.038 -0.063 14.781 1.00 0.65 C ATOM 716 CG ASP A 49 -3.625 0.446 15.039 1.00 1.21 C ATOM 717 OD1 ASP A 49 -3.073 1.119 14.134 1.00 2.53 O ATOM 718 OD2 ASP A 49 -3.123 0.154 16.145 1.00 1.80 O ATOM 0 H ASP A 49 -5.024 0.407 12.227 1.00 0.40 H new ATOM 0 HA ASP A 49 -4.441 -1.912 13.966 1.00 0.53 H new ATOM 0 HB2 ASP A 49 -5.681 0.780 14.526 1.00 0.65 H new ATOM 0 HB3 ASP A 49 -5.434 -0.500 15.698 1.00 0.65 H new ATOM 723 N ASN A 50 -6.614 -2.601 12.523 1.00 0.52 N ATOM 724 CA ASN A 50 -7.834 -3.336 12.239 1.00 0.50 C ATOM 725 C ASN A 50 -7.429 -4.636 11.554 1.00 0.50 C ATOM 726 O ASN A 50 -7.169 -5.619 12.240 1.00 1.07 O ATOM 727 CB ASN A 50 -8.815 -2.481 11.414 1.00 0.74 C ATOM 728 CG ASN A 50 -10.101 -3.230 11.057 1.00 1.66 C ATOM 729 OD1 ASN A 50 -11.073 -3.174 11.802 1.00 2.16 O ATOM 730 ND2 ASN A 50 -10.155 -3.914 9.915 1.00 2.50 N ATOM 0 H ASN A 50 -5.831 -2.877 11.930 1.00 0.52 H new ATOM 0 HA ASN A 50 -8.377 -3.577 13.153 1.00 0.50 H new ATOM 0 HB2 ASN A 50 -9.068 -1.582 11.977 1.00 0.74 H new ATOM 0 HB3 ASN A 50 -8.323 -2.155 10.497 1.00 0.74 H new ATOM 0 HD21 ASN A 50 -11.013 -4.399 9.651 1.00 2.50 H new ATOM 0 HD22 ASN A 50 -9.339 -3.952 9.304 1.00 2.50 H new ATOM 737 N ASP A 51 -7.331 -4.605 10.221 1.00 0.47 N ATOM 738 CA ASP A 51 -7.291 -5.744 9.312 1.00 0.59 C ATOM 739 C ASP A 51 -7.758 -5.224 7.956 1.00 0.50 C ATOM 740 O ASP A 51 -8.958 -5.059 7.744 1.00 0.77 O ATOM 741 CB ASP A 51 -8.254 -6.859 9.744 1.00 0.86 C ATOM 742 CG ASP A 51 -8.189 -8.061 8.801 1.00 1.62 C ATOM 743 OD1 ASP A 51 -7.517 -7.943 7.750 1.00 2.14 O ATOM 744 OD2 ASP A 51 -8.792 -9.092 9.168 1.00 3.05 O ATOM 0 H ASP A 51 -7.274 -3.719 9.719 1.00 0.47 H new ATOM 0 HA ASP A 51 -6.283 -6.159 9.295 1.00 0.59 H new ATOM 0 HB2 ASP A 51 -8.010 -7.178 10.757 1.00 0.86 H new ATOM 0 HB3 ASP A 51 -9.272 -6.471 9.769 1.00 0.86 H new ATOM 749 N ILE A 52 -6.834 -4.841 7.084 1.00 0.45 N ATOM 750 CA ILE A 52 -7.197 -4.294 5.787 1.00 0.38 C ATOM 751 C ILE A 52 -6.199 -4.681 4.711 1.00 0.36 C ATOM 752 O ILE A 52 -6.294 -4.172 3.604 1.00 0.26 O ATOM 753 CB ILE A 52 -7.328 -2.761 5.851 1.00 0.39 C ATOM 754 CG1 ILE A 52 -6.119 -2.086 6.518 1.00 0.40 C ATOM 755 CG2 ILE A 52 -8.608 -2.317 6.548 1.00 0.44 C ATOM 756 CD1 ILE A 52 -5.020 -1.790 5.508 1.00 0.39 C ATOM 0 H ILE A 52 -5.830 -4.900 7.253 1.00 0.45 H new ATOM 0 HA ILE A 52 -8.164 -4.722 5.523 1.00 0.38 H new ATOM 0 HB ILE A 52 -7.367 -2.437 4.811 1.00 0.39 H new ATOM 0 HG12 ILE A 52 -6.436 -1.159 6.995 1.00 0.40 H new ATOM 0 HG13 ILE A 52 -5.728 -2.732 7.304 1.00 0.40 H new ATOM 0 HG21 ILE A 52 -8.653 -1.228 6.567 1.00 0.44 H new ATOM 0 HG22 ILE A 52 -9.471 -2.706 6.007 1.00 0.44 H new ATOM 0 HG23 ILE A 52 -8.617 -2.699 7.569 1.00 0.44 H new ATOM 0 HD11 ILE A 52 -4.180 -1.313 6.013 1.00 0.39 H new ATOM 0 HD12 ILE A 52 -4.686 -2.721 5.050 1.00 0.39 H new ATOM 0 HD13 ILE A 52 -5.405 -1.124 4.736 1.00 0.39 H new ATOM 768 N ARG A 53 -5.228 -5.554 4.974 1.00 0.58 N ATOM 769 CA ARG A 53 -4.177 -5.757 3.982 1.00 0.48 C ATOM 770 C ARG A 53 -4.764 -6.344 2.716 1.00 0.42 C ATOM 771 O ARG A 53 -4.503 -5.854 1.627 1.00 0.43 O ATOM 772 CB ARG A 53 -3.097 -6.696 4.471 1.00 0.59 C ATOM 773 CG ARG A 53 -2.621 -6.309 5.859 1.00 0.85 C ATOM 774 CD ARG A 53 -1.499 -7.280 6.204 1.00 1.34 C ATOM 775 NE ARG A 53 -0.314 -7.176 5.342 1.00 3.92 N ATOM 776 CZ ARG A 53 0.873 -7.724 5.646 1.00 5.21 C ATOM 777 NH1 ARG A 53 0.963 -8.521 6.709 1.00 4.25 N ATOM 778 NH2 ARG A 53 1.986 -7.464 4.948 1.00 7.77 N ATOM 0 H ARG A 53 -5.147 -6.109 5.826 1.00 0.58 H new ATOM 0 HA ARG A 53 -3.734 -4.779 3.794 1.00 0.48 H new ATOM 0 HB2 ARG A 53 -3.478 -7.717 4.486 1.00 0.59 H new ATOM 0 HB3 ARG A 53 -2.256 -6.680 3.778 1.00 0.59 H new ATOM 0 HG2 ARG A 53 -2.265 -5.279 5.876 1.00 0.85 H new ATOM 0 HG3 ARG A 53 -3.433 -6.378 6.583 1.00 0.85 H new ATOM 0 HD2 ARG A 53 -1.196 -7.112 7.238 1.00 1.34 H new ATOM 0 HD3 ARG A 53 -1.886 -8.297 6.146 1.00 1.34 H new ATOM 0 HE ARG A 53 -0.398 -6.660 4.466 1.00 3.92 H new ATOM 0 HH11 ARG A 53 0.137 -8.707 7.278 1.00 4.25 H new ATOM 0 HH12 ARG A 53 1.858 -8.945 6.954 1.00 4.25 H new ATOM 0 HH21 ARG A 53 1.951 -6.828 4.151 1.00 7.77 H new ATOM 0 HH22 ARG A 53 2.868 -7.902 5.213 1.00 7.77 H new ATOM 792 N ALA A 54 -5.601 -7.363 2.898 1.00 0.44 N ATOM 793 CA ALA A 54 -6.373 -7.990 1.843 1.00 0.46 C ATOM 794 C ALA A 54 -7.282 -6.978 1.121 1.00 0.47 C ATOM 795 O ALA A 54 -7.708 -7.203 -0.005 1.00 0.81 O ATOM 796 CB ALA A 54 -7.109 -9.170 2.456 1.00 0.49 C ATOM 0 H ALA A 54 -5.761 -7.783 3.814 1.00 0.44 H new ATOM 0 HA ALA A 54 -5.725 -8.365 1.051 1.00 0.46 H new ATOM 0 HB1 ALA A 54 -7.702 -9.667 1.689 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -6.387 -9.874 2.870 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -7.766 -8.816 3.250 1.00 0.49 H new ATOM 802 N GLN A 55 -7.557 -5.839 1.760 1.00 0.24 N ATOM 803 CA GLN A 55 -8.213 -4.686 1.169 1.00 0.23 C ATOM 804 C GLN A 55 -7.214 -3.832 0.373 1.00 0.24 C ATOM 805 O GLN A 55 -7.475 -3.476 -0.773 1.00 0.27 O ATOM 806 CB GLN A 55 -8.916 -3.905 2.287 1.00 0.30 C ATOM 807 CG GLN A 55 -10.433 -3.840 2.091 1.00 0.78 C ATOM 808 CD GLN A 55 -11.111 -3.234 3.316 1.00 1.67 C ATOM 809 OE1 GLN A 55 -11.505 -2.073 3.312 1.00 3.22 O ATOM 810 NE2 GLN A 55 -11.244 -4.013 4.386 1.00 1.19 N ATOM 0 H GLN A 55 -7.317 -5.696 2.741 1.00 0.24 H new ATOM 0 HA GLN A 55 -8.966 -5.003 0.447 1.00 0.23 H new ATOM 0 HB2 GLN A 55 -8.696 -4.373 3.247 1.00 0.30 H new ATOM 0 HB3 GLN A 55 -8.514 -2.893 2.327 1.00 0.30 H new ATOM 0 HG2 GLN A 55 -10.665 -3.244 1.209 1.00 0.78 H new ATOM 0 HG3 GLN A 55 -10.824 -4.841 1.911 1.00 0.78 H new ATOM 0 HE21 GLN A 55 -10.907 -4.975 4.361 1.00 1.19 H new ATOM 0 HE22 GLN A 55 -11.683 -3.648 5.231 1.00 1.19 H new ATOM 819 N VAL A 56 -6.066 -3.503 0.971 1.00 0.24 N ATOM 820 CA VAL A 56 -5.008 -2.715 0.350 1.00 0.24 C ATOM 821 C VAL A 56 -4.585 -3.364 -0.951 1.00 0.25 C ATOM 822 O VAL A 56 -4.402 -2.698 -1.965 1.00 0.23 O ATOM 823 CB VAL A 56 -3.776 -2.594 1.243 1.00 0.26 C ATOM 824 CG1 VAL A 56 -2.628 -1.920 0.478 1.00 0.29 C ATOM 825 CG2 VAL A 56 -4.108 -1.773 2.476 1.00 0.34 C ATOM 0 H VAL A 56 -5.845 -3.787 1.925 1.00 0.24 H new ATOM 0 HA VAL A 56 -5.413 -1.717 0.180 1.00 0.24 H new ATOM 0 HB VAL A 56 -3.467 -3.595 1.544 1.00 0.26 H new ATOM 0 HG11 VAL A 56 -1.756 -1.840 1.127 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -2.375 -2.517 -0.398 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -2.937 -0.924 0.162 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -3.224 -1.692 3.108 1.00 0.34 H new ATOM 0 HG22 VAL A 56 -4.431 -0.777 2.174 1.00 0.34 H new ATOM 0 HG23 VAL A 56 -4.908 -2.260 3.033 1.00 0.34 H new ATOM 835 N GLU A 57 -4.358 -4.670 -0.888 1.00 0.36 N ATOM 836 CA GLU A 57 -3.703 -5.387 -1.948 1.00 0.31 C ATOM 837 C GLU A 57 -4.611 -5.376 -3.170 1.00 0.32 C ATOM 838 O GLU A 57 -4.233 -4.891 -4.233 1.00 0.40 O ATOM 839 CB GLU A 57 -3.230 -6.754 -1.420 1.00 0.41 C ATOM 840 CG GLU A 57 -4.308 -7.642 -0.799 1.00 0.92 C ATOM 841 CD GLU A 57 -4.913 -8.664 -1.747 1.00 1.97 C ATOM 842 OE1 GLU A 57 -4.302 -9.744 -1.882 1.00 2.24 O ATOM 843 OE2 GLU A 57 -5.986 -8.338 -2.298 1.00 3.67 O ATOM 0 H GLU A 57 -4.627 -5.253 -0.095 1.00 0.36 H new ATOM 0 HA GLU A 57 -2.782 -4.915 -2.291 1.00 0.31 H new ATOM 0 HB2 GLU A 57 -2.768 -7.299 -2.243 1.00 0.41 H new ATOM 0 HB3 GLU A 57 -2.453 -6.584 -0.674 1.00 0.41 H new ATOM 0 HG2 GLU A 57 -3.879 -8.167 0.054 1.00 0.92 H new ATOM 0 HG3 GLU A 57 -5.106 -7.007 -0.414 1.00 0.92 H new ATOM 850 N SER A 58 -5.860 -5.767 -2.950 1.00 0.37 N ATOM 851 CA SER A 58 -6.983 -5.525 -3.823 1.00 0.43 C ATOM 852 C SER A 58 -7.024 -4.076 -4.323 1.00 0.40 C ATOM 853 O SER A 58 -7.205 -3.855 -5.517 1.00 0.49 O ATOM 854 CB SER A 58 -8.246 -5.919 -3.055 1.00 0.43 C ATOM 855 OG SER A 58 -8.351 -7.328 -3.031 1.00 1.52 O ATOM 0 H SER A 58 -6.122 -6.287 -2.113 1.00 0.37 H new ATOM 0 HA SER A 58 -6.897 -6.127 -4.728 1.00 0.43 H new ATOM 0 HB2 SER A 58 -8.206 -5.527 -2.039 1.00 0.43 H new ATOM 0 HB3 SER A 58 -9.126 -5.484 -3.529 1.00 0.43 H new ATOM 0 HG SER A 58 -7.501 -7.714 -2.735 1.00 1.52 H new ATOM 861 N ALA A 59 -6.863 -3.081 -3.447 1.00 0.34 N ATOM 862 CA ALA A 59 -6.971 -1.675 -3.839 1.00 0.38 C ATOM 863 C ALA A 59 -5.893 -1.314 -4.860 1.00 0.36 C ATOM 864 O ALA A 59 -6.182 -0.760 -5.918 1.00 0.41 O ATOM 865 CB ALA A 59 -6.907 -0.750 -2.618 1.00 0.38 C ATOM 0 H ALA A 59 -6.657 -3.225 -2.458 1.00 0.34 H new ATOM 0 HA ALA A 59 -7.944 -1.532 -4.308 1.00 0.38 H new ATOM 0 HB1 ALA A 59 -6.990 0.287 -2.943 1.00 0.38 H new ATOM 0 HB2 ALA A 59 -7.728 -0.985 -1.940 1.00 0.38 H new ATOM 0 HB3 ALA A 59 -5.958 -0.894 -2.102 1.00 0.38 H new ATOM 871 N LEU A 60 -4.643 -1.648 -4.552 1.00 0.30 N ATOM 872 CA LEU A 60 -3.500 -1.443 -5.429 1.00 0.29 C ATOM 873 C LEU A 60 -3.663 -2.223 -6.729 1.00 0.33 C ATOM 874 O LEU A 60 -3.391 -1.709 -7.812 1.00 0.37 O ATOM 875 CB LEU A 60 -2.228 -1.871 -4.693 1.00 0.23 C ATOM 876 CG LEU A 60 -1.485 -0.646 -4.153 1.00 0.26 C ATOM 877 CD1 LEU A 60 -2.340 0.171 -3.195 1.00 0.39 C ATOM 878 CD2 LEU A 60 -0.302 -1.073 -3.305 1.00 0.42 C ATOM 0 H LEU A 60 -4.393 -2.080 -3.662 1.00 0.30 H new ATOM 0 HA LEU A 60 -3.431 -0.387 -5.691 1.00 0.29 H new ATOM 0 HB2 LEU A 60 -2.483 -2.540 -3.872 1.00 0.23 H new ATOM 0 HB3 LEU A 60 -1.580 -2.429 -5.369 1.00 0.23 H new ATOM 0 HG LEU A 60 -1.203 -0.071 -5.035 1.00 0.26 H new ATOM 0 HD11 LEU A 60 -1.769 1.029 -2.839 1.00 0.39 H new ATOM 0 HD12 LEU A 60 -3.234 0.519 -3.712 1.00 0.39 H new ATOM 0 HD13 LEU A 60 -2.630 -0.449 -2.347 1.00 0.39 H new ATOM 0 HD21 LEU A 60 0.214 -0.189 -2.930 1.00 0.42 H new ATOM 0 HD22 LEU A 60 -0.654 -1.672 -2.465 1.00 0.42 H new ATOM 0 HD23 LEU A 60 0.385 -1.665 -3.910 1.00 0.42 H new ATOM 890 N GLN A 61 -4.104 -3.472 -6.628 1.00 0.35 N ATOM 891 CA GLN A 61 -4.352 -4.311 -7.780 1.00 0.42 C ATOM 892 C GLN A 61 -5.403 -3.661 -8.686 1.00 0.49 C ATOM 893 O GLN A 61 -5.225 -3.615 -9.899 1.00 0.52 O ATOM 894 CB GLN A 61 -4.726 -5.710 -7.288 1.00 0.45 C ATOM 895 CG GLN A 61 -4.916 -6.683 -8.448 1.00 0.62 C ATOM 896 CD GLN A 61 -4.901 -8.125 -7.958 1.00 1.04 C ATOM 897 OE1 GLN A 61 -5.933 -8.786 -7.916 1.00 1.49 O ATOM 898 NE2 GLN A 61 -3.725 -8.620 -7.582 1.00 1.33 N ATOM 0 H GLN A 61 -4.299 -3.928 -5.736 1.00 0.35 H new ATOM 0 HA GLN A 61 -3.461 -4.416 -8.399 1.00 0.42 H new ATOM 0 HB2 GLN A 61 -3.946 -6.083 -6.624 1.00 0.45 H new ATOM 0 HB3 GLN A 61 -5.644 -5.657 -6.703 1.00 0.45 H new ATOM 0 HG2 GLN A 61 -5.861 -6.476 -8.950 1.00 0.62 H new ATOM 0 HG3 GLN A 61 -4.125 -6.537 -9.184 1.00 0.62 H new ATOM 0 HE21 GLN A 61 -2.888 -8.039 -7.631 1.00 1.33 H new ATOM 0 HE22 GLN A 61 -3.660 -9.580 -7.244 1.00 1.33 H new ATOM 907 N LYS A 62 -6.472 -3.114 -8.099 1.00 0.53 N ATOM 908 CA LYS A 62 -7.472 -2.348 -8.836 1.00 0.64 C ATOM 909 C LYS A 62 -6.843 -1.099 -9.464 1.00 0.63 C ATOM 910 O LYS A 62 -7.067 -0.822 -10.639 1.00 0.71 O ATOM 911 CB LYS A 62 -8.656 -1.966 -7.927 1.00 0.78 C ATOM 912 CG LYS A 62 -9.851 -2.920 -8.054 1.00 0.99 C ATOM 913 CD LYS A 62 -9.573 -4.310 -7.463 1.00 1.64 C ATOM 914 CE LYS A 62 -10.671 -5.324 -7.810 1.00 2.48 C ATOM 915 NZ LYS A 62 -12.000 -4.914 -7.311 1.00 2.98 N ATOM 0 H LYS A 62 -6.665 -3.192 -7.100 1.00 0.53 H new ATOM 0 HA LYS A 62 -7.855 -2.978 -9.639 1.00 0.64 H new ATOM 0 HB2 LYS A 62 -8.320 -1.952 -6.890 1.00 0.78 H new ATOM 0 HB3 LYS A 62 -8.980 -0.954 -8.170 1.00 0.78 H new ATOM 0 HG2 LYS A 62 -10.713 -2.483 -7.551 1.00 0.99 H new ATOM 0 HG3 LYS A 62 -10.115 -3.025 -9.106 1.00 0.99 H new ATOM 0 HD2 LYS A 62 -8.615 -4.675 -7.834 1.00 1.64 H new ATOM 0 HD3 LYS A 62 -9.485 -4.230 -6.379 1.00 1.64 H new ATOM 0 HE2 LYS A 62 -10.716 -5.450 -8.892 1.00 2.48 H new ATOM 0 HE3 LYS A 62 -10.411 -6.294 -7.387 1.00 2.48 H new ATOM 0 HZ1 LYS A 62 -12.696 -5.656 -7.527 1.00 2.98 H new ATOM 0 HZ2 LYS A 62 -11.955 -4.770 -6.282 1.00 2.98 H new ATOM 0 HZ3 LYS A 62 -12.286 -4.027 -7.772 1.00 2.98 H new ATOM 929 N ALA A 63 -6.086 -0.328 -8.678 1.00 0.57 N ATOM 930 CA ALA A 63 -5.438 0.893 -9.144 1.00 0.60 C ATOM 931 C ALA A 63 -4.503 0.609 -10.324 1.00 0.58 C ATOM 932 O ALA A 63 -4.414 1.421 -11.243 1.00 0.65 O ATOM 933 CB ALA A 63 -4.694 1.565 -7.987 1.00 0.56 C ATOM 0 H ALA A 63 -5.907 -0.538 -7.696 1.00 0.57 H new ATOM 0 HA ALA A 63 -6.205 1.579 -9.503 1.00 0.60 H new ATOM 0 HB1 ALA A 63 -4.213 2.476 -8.344 1.00 0.56 H new ATOM 0 HB2 ALA A 63 -5.401 1.814 -7.196 1.00 0.56 H new ATOM 0 HB3 ALA A 63 -3.937 0.884 -7.597 1.00 0.56 H new ATOM 939 N GLY A 64 -3.829 -0.543 -10.292 1.00 0.53 N ATOM 940 CA GLY A 64 -3.074 -1.098 -11.406 1.00 0.52 C ATOM 941 C GLY A 64 -1.635 -1.421 -11.014 1.00 0.43 C ATOM 942 O GLY A 64 -0.712 -1.118 -11.767 1.00 0.52 O ATOM 0 H GLY A 64 -3.796 -1.131 -9.459 1.00 0.53 H new ATOM 0 HA2 GLY A 64 -3.565 -2.004 -11.762 1.00 0.52 H new ATOM 0 HA3 GLY A 64 -3.074 -0.389 -12.234 1.00 0.52 H new ATOM 946 N TYR A 65 -1.435 -2.037 -9.845 1.00 0.30 N ATOM 947 CA TYR A 65 -0.135 -2.448 -9.349 1.00 0.27 C ATOM 948 C TYR A 65 -0.112 -3.957 -9.092 1.00 0.33 C ATOM 949 O TYR A 65 -1.110 -4.650 -9.278 1.00 0.57 O ATOM 950 CB TYR A 65 0.147 -1.654 -8.073 1.00 0.27 C ATOM 951 CG TYR A 65 0.225 -0.156 -8.287 1.00 0.30 C ATOM 952 CD1 TYR A 65 1.308 0.398 -8.995 1.00 1.85 C ATOM 953 CD2 TYR A 65 -0.824 0.675 -7.855 1.00 1.82 C ATOM 954 CE1 TYR A 65 1.342 1.778 -9.266 1.00 1.86 C ATOM 955 CE2 TYR A 65 -0.790 2.052 -8.126 1.00 1.85 C ATOM 956 CZ TYR A 65 0.287 2.603 -8.841 1.00 0.47 C ATOM 957 OH TYR A 65 0.293 3.936 -9.123 1.00 0.61 O ATOM 0 H TYR A 65 -2.198 -2.266 -9.207 1.00 0.30 H new ATOM 0 HA TYR A 65 0.642 -2.244 -10.086 1.00 0.27 H new ATOM 0 HB2 TYR A 65 -0.635 -1.867 -7.344 1.00 0.27 H new ATOM 0 HB3 TYR A 65 1.087 -1.999 -7.642 1.00 0.27 H new ATOM 0 HD1 TYR A 65 2.114 -0.237 -9.331 1.00 1.85 H new ATOM 0 HD2 TYR A 65 -1.658 0.253 -7.314 1.00 1.82 H new ATOM 0 HE1 TYR A 65 2.179 2.203 -9.800 1.00 1.86 H new ATOM 0 HE2 TYR A 65 -1.593 2.689 -7.785 1.00 1.85 H new ATOM 0 HH TYR A 65 -0.514 4.352 -8.754 1.00 0.61 H new ATOM 967 N SER A 66 1.044 -4.463 -8.657 1.00 0.47 N ATOM 968 CA SER A 66 1.279 -5.861 -8.341 1.00 0.61 C ATOM 969 C SER A 66 2.164 -5.895 -7.096 1.00 0.68 C ATOM 970 O SER A 66 3.387 -6.003 -7.190 1.00 0.91 O ATOM 971 CB SER A 66 1.909 -6.567 -9.550 1.00 0.71 C ATOM 972 OG SER A 66 1.897 -7.969 -9.362 1.00 2.34 O ATOM 0 H SER A 66 1.870 -3.882 -8.512 1.00 0.47 H new ATOM 0 HA SER A 66 0.354 -6.398 -8.129 1.00 0.61 H new ATOM 0 HB2 SER A 66 1.360 -6.310 -10.456 1.00 0.71 H new ATOM 0 HB3 SER A 66 2.933 -6.221 -9.689 1.00 0.71 H new ATOM 0 HG SER A 66 2.300 -8.407 -10.141 1.00 2.34 H new ATOM 978 N LEU A 67 1.524 -5.723 -5.936 1.00 0.59 N ATOM 979 CA LEU A 67 2.120 -5.959 -4.628 1.00 0.61 C ATOM 980 C LEU A 67 1.968 -7.421 -4.213 1.00 0.59 C ATOM 981 O LEU A 67 1.260 -8.188 -4.864 1.00 0.61 O ATOM 982 CB LEU A 67 1.669 -4.924 -3.579 1.00 0.63 C ATOM 983 CG LEU A 67 0.413 -5.287 -2.782 1.00 0.77 C ATOM 984 CD1 LEU A 67 -0.041 -4.138 -1.885 1.00 1.91 C ATOM 985 CD2 LEU A 67 -0.701 -5.625 -3.751 1.00 1.38 C ATOM 0 H LEU A 67 0.555 -5.408 -5.884 1.00 0.59 H new ATOM 0 HA LEU A 67 3.195 -5.793 -4.701 1.00 0.61 H new ATOM 0 HB2 LEU A 67 2.488 -4.765 -2.878 1.00 0.63 H new ATOM 0 HB3 LEU A 67 1.494 -3.975 -4.085 1.00 0.63 H new ATOM 0 HG LEU A 67 0.649 -6.139 -2.145 1.00 0.77 H new ATOM 0 HD11 LEU A 67 -0.935 -4.436 -1.337 1.00 1.91 H new ATOM 0 HD12 LEU A 67 0.752 -3.892 -1.179 1.00 1.91 H new ATOM 0 HD13 LEU A 67 -0.265 -3.265 -2.498 1.00 1.91 H new ATOM 0 HD21 LEU A 67 -1.601 -5.885 -3.194 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -0.904 -4.763 -4.387 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -0.401 -6.470 -4.370 1.00 1.38 H new ATOM 997 N ARG A 68 2.612 -7.808 -3.114 1.00 0.59 N ATOM 998 CA ARG A 68 2.366 -9.077 -2.457 1.00 0.65 C ATOM 999 C ARG A 68 2.803 -8.935 -1.002 1.00 0.51 C ATOM 1000 O ARG A 68 3.701 -8.145 -0.714 1.00 0.47 O ATOM 1001 CB ARG A 68 3.083 -10.197 -3.221 1.00 0.83 C ATOM 1002 CG ARG A 68 3.013 -11.547 -2.502 1.00 0.88 C ATOM 1003 CD ARG A 68 2.973 -12.699 -3.514 1.00 1.11 C ATOM 1004 NE ARG A 68 3.508 -13.945 -2.939 1.00 1.73 N ATOM 1005 CZ ARG A 68 3.359 -15.171 -3.470 1.00 2.42 C ATOM 1006 NH1 ARG A 68 2.483 -15.376 -4.460 1.00 2.93 N ATOM 1007 NH2 ARG A 68 4.099 -16.187 -3.012 1.00 3.45 N ATOM 0 H ARG A 68 3.324 -7.240 -2.655 1.00 0.59 H new ATOM 0 HA ARG A 68 1.310 -9.349 -2.460 1.00 0.65 H new ATOM 0 HB2 ARG A 68 2.640 -10.295 -4.212 1.00 0.83 H new ATOM 0 HB3 ARG A 68 4.128 -9.921 -3.365 1.00 0.83 H new ATOM 0 HG2 ARG A 68 3.877 -11.661 -1.847 1.00 0.88 H new ATOM 0 HG3 ARG A 68 2.127 -11.582 -1.869 1.00 0.88 H new ATOM 0 HD2 ARG A 68 1.946 -12.861 -3.842 1.00 1.11 H new ATOM 0 HD3 ARG A 68 3.551 -12.428 -4.398 1.00 1.11 H new ATOM 0 HE ARG A 68 4.034 -13.872 -2.068 1.00 1.73 H new ATOM 0 HH11 ARG A 68 1.924 -14.600 -4.815 1.00 2.93 H new ATOM 0 HH12 ARG A 68 2.374 -16.308 -4.859 1.00 2.93 H new ATOM 0 HH21 ARG A 68 4.773 -16.030 -2.263 1.00 3.45 H new ATOM 0 HH22 ARG A 68 3.989 -17.119 -3.412 1.00 3.45 H new ATOM 1021 N ASP A 69 2.118 -9.647 -0.102 1.00 0.56 N ATOM 1022 CA ASP A 69 2.299 -9.578 1.340 1.00 0.59 C ATOM 1023 C ASP A 69 3.734 -9.898 1.749 1.00 0.58 C ATOM 1024 O ASP A 69 4.231 -10.979 1.430 1.00 0.87 O ATOM 1025 CB ASP A 69 1.300 -10.531 2.003 1.00 0.82 C ATOM 1026 CG ASP A 69 1.235 -10.281 3.498 1.00 1.90 C ATOM 1027 OD1 ASP A 69 2.255 -10.540 4.172 1.00 2.42 O ATOM 1028 OD2 ASP A 69 0.183 -9.770 3.936 1.00 3.23 O ATOM 0 H ASP A 69 1.395 -10.312 -0.375 1.00 0.56 H new ATOM 0 HA ASP A 69 2.109 -8.559 1.676 1.00 0.59 H new ATOM 0 HB2 ASP A 69 0.312 -10.395 1.563 1.00 0.82 H new ATOM 0 HB3 ASP A 69 1.594 -11.564 1.814 1.00 0.82 H new ATOM 1033 N GLU A 70 4.382 -8.968 2.461 1.00 0.48 N ATOM 1034 CA GLU A 70 5.674 -9.203 3.085 1.00 0.58 C ATOM 1035 C GLU A 70 5.529 -9.300 4.601 1.00 0.73 C ATOM 1036 O GLU A 70 6.166 -8.555 5.343 1.00 0.83 O ATOM 1037 CB GLU A 70 6.652 -8.096 2.687 1.00 0.65 C ATOM 1038 CG GLU A 70 7.196 -8.370 1.284 1.00 0.85 C ATOM 1039 CD GLU A 70 8.341 -7.429 0.948 1.00 1.04 C ATOM 1040 OE1 GLU A 70 8.213 -6.234 1.293 1.00 1.72 O ATOM 1041 OE2 GLU A 70 9.318 -7.935 0.351 1.00 2.40 O ATOM 0 H GLU A 70 4.016 -8.029 2.617 1.00 0.48 H new ATOM 0 HA GLU A 70 6.073 -10.154 2.733 1.00 0.58 H new ATOM 0 HB2 GLU A 70 6.151 -7.128 2.711 1.00 0.65 H new ATOM 0 HB3 GLU A 70 7.473 -8.047 3.403 1.00 0.65 H new ATOM 0 HG2 GLU A 70 7.539 -9.403 1.219 1.00 0.85 H new ATOM 0 HG3 GLU A 70 6.397 -8.252 0.551 1.00 0.85 H new