USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, 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 15 CYS SG : rot 180:sc= 0.458 USER MOD Set 1.2: A 18 CYS SG : rot 129:sc= 0.371 USER MOD Single : A 6 TYR OH : rot -119:sc= 0.163 USER MOD Single : A 7 SER OG : rot -97:sc= 1.25 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 148:sc= -0.57 (180deg=-3.39) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0456 X(o=-0.046,f=-0.5) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.804 X(o=-0.8,f=-0.36) USER MOD Single : A 34 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.18) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00496) USER MOD Single : A 50 ASN : amide:sc= -1.03 K(o=-1,f=-0.26) USER MOD Single : A 55 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.44) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.48) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 1.900 -2.826 11.611 1.00 0.56 N ATOM 34 CA ARG A 5 2.507 -2.417 10.371 1.00 0.56 C ATOM 35 C ARG A 5 2.651 -3.666 9.518 1.00 0.34 C ATOM 36 O ARG A 5 3.349 -4.624 9.852 1.00 0.42 O ATOM 37 CB ARG A 5 3.785 -1.605 10.608 1.00 0.89 C ATOM 38 CG ARG A 5 5.087 -2.380 10.442 1.00 0.95 C ATOM 39 CD ARG A 5 5.440 -2.669 8.964 1.00 0.57 C ATOM 40 NE ARG A 5 6.797 -2.161 8.676 1.00 1.30 N ATOM 41 CZ ARG A 5 7.806 -2.810 8.069 1.00 1.55 C ATOM 42 NH1 ARG A 5 7.583 -3.939 7.392 1.00 2.68 N ATOM 43 NH2 ARG A 5 9.048 -2.319 8.143 1.00 2.14 N ATOM 0 HA ARG A 5 1.887 -1.713 9.816 1.00 0.56 H new ATOM 0 HB2 ARG A 5 3.793 -0.761 9.918 1.00 0.89 H new ATOM 0 HB3 ARG A 5 3.752 -1.193 11.616 1.00 0.89 H new ATOM 0 HG2 ARG A 5 5.899 -1.815 10.899 1.00 0.95 H new ATOM 0 HG3 ARG A 5 5.012 -3.324 10.982 1.00 0.95 H new ATOM 0 HD2 ARG A 5 5.392 -3.740 8.770 1.00 0.57 H new ATOM 0 HD3 ARG A 5 4.714 -2.193 8.305 1.00 0.57 H new ATOM 0 HE ARG A 5 6.991 -1.205 8.973 1.00 1.30 H new ATOM 0 HH11 ARG A 5 6.638 -4.319 7.331 1.00 2.68 H new ATOM 0 HH12 ARG A 5 8.357 -4.422 6.936 1.00 2.68 H new ATOM 0 HH21 ARG A 5 9.226 -1.457 8.658 1.00 2.14 H new ATOM 0 HH22 ARG A 5 9.817 -2.807 7.685 1.00 2.14 H new ATOM 57 N TYR A 6 1.938 -3.648 8.407 1.00 0.46 N ATOM 58 CA TYR A 6 2.072 -4.599 7.327 1.00 0.32 C ATOM 59 C TYR A 6 2.927 -3.972 6.223 1.00 0.30 C ATOM 60 O TYR A 6 3.085 -2.750 6.206 1.00 0.54 O ATOM 61 CB TYR A 6 0.674 -4.864 6.801 1.00 0.43 C ATOM 62 CG TYR A 6 -0.352 -5.324 7.813 1.00 0.63 C ATOM 63 CD1 TYR A 6 -0.159 -6.514 8.537 1.00 2.01 C ATOM 64 CD2 TYR A 6 -1.567 -4.626 7.927 1.00 1.76 C ATOM 65 CE1 TYR A 6 -1.207 -7.038 9.311 1.00 2.09 C ATOM 66 CE2 TYR A 6 -2.619 -5.158 8.686 1.00 1.82 C ATOM 67 CZ TYR A 6 -2.439 -6.367 9.384 1.00 1.01 C ATOM 68 OH TYR A 6 -3.467 -6.950 10.060 1.00 1.27 O ATOM 0 H TYR A 6 1.223 -2.942 8.229 1.00 0.46 H new ATOM 0 HA TYR A 6 2.544 -5.524 7.659 1.00 0.32 H new ATOM 0 HB2 TYR A 6 0.306 -3.950 6.334 1.00 0.43 H new ATOM 0 HB3 TYR A 6 0.742 -5.618 6.017 1.00 0.43 H new ATOM 0 HD1 TYR A 6 0.792 -7.023 8.498 1.00 2.01 H new ATOM 0 HD2 TYR A 6 -1.691 -3.676 7.428 1.00 1.76 H new ATOM 0 HE1 TYR A 6 -1.065 -7.961 9.853 1.00 2.09 H new ATOM 0 HE2 TYR A 6 -3.566 -4.641 8.735 1.00 1.82 H new ATOM 0 HH TYR A 6 -4.216 -7.104 9.447 1.00 1.27 H new ATOM 78 N SER A 7 3.470 -4.779 5.303 1.00 0.23 N ATOM 79 CA SER A 7 4.230 -4.294 4.155 1.00 0.18 C ATOM 80 C SER A 7 3.893 -5.092 2.906 1.00 0.13 C ATOM 81 O SER A 7 3.386 -6.208 2.985 1.00 0.20 O ATOM 82 CB SER A 7 5.730 -4.361 4.501 1.00 0.27 C ATOM 83 OG SER A 7 6.598 -3.943 3.463 1.00 1.59 O ATOM 0 H SER A 7 3.391 -5.795 5.339 1.00 0.23 H new ATOM 0 HA SER A 7 3.965 -3.259 3.938 1.00 0.18 H new ATOM 0 HB2 SER A 7 5.914 -3.743 5.380 1.00 0.27 H new ATOM 0 HB3 SER A 7 5.980 -5.386 4.774 1.00 0.27 H new ATOM 0 HG SER A 7 6.929 -4.727 2.977 1.00 1.59 H new ATOM 89 N TRP A 8 4.158 -4.484 1.751 1.00 0.12 N ATOM 90 CA TRP A 8 4.077 -5.101 0.452 1.00 0.18 C ATOM 91 C TRP A 8 5.241 -4.663 -0.409 1.00 0.20 C ATOM 92 O TRP A 8 5.688 -3.520 -0.308 1.00 0.25 O ATOM 93 CB TRP A 8 2.764 -4.745 -0.225 1.00 0.25 C ATOM 94 CG TRP A 8 1.602 -5.174 0.586 1.00 0.25 C ATOM 95 CD1 TRP A 8 1.267 -6.451 0.816 1.00 0.41 C ATOM 96 CD2 TRP A 8 0.795 -4.455 1.530 1.00 0.27 C ATOM 97 NE1 TRP A 8 0.519 -6.498 1.991 1.00 0.31 N ATOM 98 CE2 TRP A 8 0.629 -5.277 2.655 1.00 0.26 C ATOM 99 CE3 TRP A 8 0.162 -3.223 1.661 1.00 0.40 C ATOM 100 CZ2 TRP A 8 0.269 -4.630 3.872 1.00 0.34 C ATOM 101 CZ3 TRP A 8 -0.984 -3.258 2.508 1.00 0.44 C ATOM 102 CH2 TRP A 8 -0.722 -3.651 3.796 1.00 0.38 C ATOM 0 H TRP A 8 4.446 -3.507 1.706 1.00 0.12 H new ATOM 0 HA TRP A 8 4.121 -6.183 0.580 1.00 0.18 H new ATOM 0 HB2 TRP A 8 2.718 -3.668 -0.388 1.00 0.25 H new ATOM 0 HB3 TRP A 8 2.719 -5.218 -1.206 1.00 0.25 H new ATOM 0 HD1 TRP A 8 1.531 -7.297 0.198 1.00 0.41 H new ATOM 0 HE1 TRP A 8 -0.023 -7.299 2.314 1.00 0.31 H new ATOM 0 HE3 TRP A 8 0.506 -2.326 1.168 1.00 0.40 H new ATOM 0 HZ2 TRP A 8 0.741 -4.885 4.809 1.00 0.34 H new ATOM 0 HZ3 TRP A 8 -1.974 -2.997 2.165 1.00 0.44 H new ATOM 0 HH2 TRP A 8 -1.229 -3.246 4.659 1.00 0.38 H new ATOM 113 N LYS A 9 5.685 -5.573 -1.274 1.00 0.22 N ATOM 114 CA LYS A 9 6.767 -5.367 -2.223 1.00 0.29 C ATOM 115 C LYS A 9 6.098 -5.056 -3.555 1.00 0.41 C ATOM 116 O LYS A 9 5.329 -5.893 -4.017 1.00 0.53 O ATOM 117 CB LYS A 9 7.578 -6.662 -2.342 1.00 0.31 C ATOM 118 CG LYS A 9 8.015 -7.198 -0.975 1.00 2.07 C ATOM 119 CD LYS A 9 8.513 -8.640 -1.090 1.00 1.42 C ATOM 120 CE LYS A 9 9.775 -8.724 -1.955 1.00 1.86 C ATOM 121 NZ LYS A 9 10.775 -9.611 -1.334 1.00 2.41 N ATOM 0 H LYS A 9 5.283 -6.508 -1.332 1.00 0.22 H new ATOM 0 HA LYS A 9 7.438 -4.565 -1.916 1.00 0.29 H new ATOM 0 HB2 LYS A 9 6.981 -7.417 -2.853 1.00 0.31 H new ATOM 0 HB3 LYS A 9 8.459 -6.482 -2.958 1.00 0.31 H new ATOM 0 HG2 LYS A 9 8.805 -6.567 -0.568 1.00 2.07 H new ATOM 0 HG3 LYS A 9 7.179 -7.152 -0.277 1.00 2.07 H new ATOM 0 HD2 LYS A 9 8.723 -9.035 -0.096 1.00 1.42 H new ATOM 0 HD3 LYS A 9 7.731 -9.264 -1.522 1.00 1.42 H new ATOM 0 HE2 LYS A 9 9.518 -9.096 -2.947 1.00 1.86 H new ATOM 0 HE3 LYS A 9 10.198 -7.728 -2.088 1.00 1.86 H new ATOM 0 HZ1 LYS A 9 11.622 -9.654 -1.936 1.00 2.41 H new ATOM 0 HZ2 LYS A 9 11.034 -9.240 -0.398 1.00 2.41 H new ATOM 0 HZ3 LYS A 9 10.375 -10.566 -1.230 1.00 2.41 H new ATOM 135 N VAL A 10 6.300 -3.867 -4.127 1.00 0.59 N ATOM 136 CA VAL A 10 5.481 -3.354 -5.226 1.00 0.81 C ATOM 137 C VAL A 10 6.291 -3.091 -6.496 1.00 0.99 C ATOM 138 O VAL A 10 6.855 -2.014 -6.692 1.00 2.06 O ATOM 139 CB VAL A 10 4.604 -2.184 -4.752 1.00 0.94 C ATOM 140 CG1 VAL A 10 5.377 -1.078 -4.024 1.00 1.60 C ATOM 141 CG2 VAL A 10 3.771 -1.625 -5.913 1.00 1.59 C ATOM 0 H VAL A 10 7.042 -3.229 -3.838 1.00 0.59 H new ATOM 0 HA VAL A 10 4.785 -4.135 -5.533 1.00 0.81 H new ATOM 0 HB VAL A 10 3.929 -2.596 -4.002 1.00 0.94 H new ATOM 0 HG11 VAL A 10 4.687 -0.290 -3.722 1.00 1.60 H new ATOM 0 HG12 VAL A 10 5.862 -1.494 -3.141 1.00 1.60 H new ATOM 0 HG13 VAL A 10 6.133 -0.663 -4.691 1.00 1.60 H new ATOM 0 HG21 VAL A 10 3.158 -0.798 -5.556 1.00 1.59 H new ATOM 0 HG22 VAL A 10 4.436 -1.270 -6.700 1.00 1.59 H new ATOM 0 HG23 VAL A 10 3.127 -2.410 -6.309 1.00 1.59 H new ATOM 151 N SER A 11 6.296 -4.077 -7.399 1.00 0.66 N ATOM 152 CA SER A 11 7.063 -3.993 -8.632 1.00 0.62 C ATOM 153 C SER A 11 6.287 -3.145 -9.639 1.00 0.61 C ATOM 154 O SER A 11 5.579 -3.671 -10.496 1.00 1.08 O ATOM 155 CB SER A 11 7.398 -5.399 -9.144 1.00 0.87 C ATOM 156 OG SER A 11 8.371 -5.324 -10.171 1.00 1.75 O ATOM 0 H SER A 11 5.772 -4.945 -7.292 1.00 0.66 H new ATOM 0 HA SER A 11 8.021 -3.501 -8.462 1.00 0.62 H new ATOM 0 HB2 SER A 11 7.770 -6.014 -8.324 1.00 0.87 H new ATOM 0 HB3 SER A 11 6.496 -5.882 -9.521 1.00 0.87 H new ATOM 0 HG SER A 11 8.580 -6.227 -10.491 1.00 1.75 H new ATOM 162 N GLY A 12 6.390 -1.820 -9.508 1.00 0.60 N ATOM 163 CA GLY A 12 5.759 -0.896 -10.441 1.00 0.61 C ATOM 164 C GLY A 12 5.935 0.565 -10.035 1.00 0.71 C ATOM 165 O GLY A 12 6.225 1.409 -10.876 1.00 1.43 O ATOM 0 H GLY A 12 6.910 -1.365 -8.757 1.00 0.60 H new ATOM 0 HA2 GLY A 12 6.181 -1.046 -11.435 1.00 0.61 H new ATOM 0 HA3 GLY A 12 4.695 -1.124 -10.508 1.00 0.61 H new ATOM 169 N MET A 13 5.720 0.873 -8.754 1.00 0.43 N ATOM 170 CA MET A 13 5.662 2.243 -8.261 1.00 0.37 C ATOM 171 C MET A 13 6.980 2.999 -8.468 1.00 0.39 C ATOM 172 O MET A 13 8.016 2.618 -7.926 1.00 0.57 O ATOM 173 CB MET A 13 5.274 2.221 -6.787 1.00 0.42 C ATOM 174 CG MET A 13 3.771 1.986 -6.646 1.00 1.20 C ATOM 175 SD MET A 13 3.191 1.846 -4.946 1.00 1.79 S ATOM 176 CE MET A 13 3.876 3.379 -4.307 1.00 2.54 C ATOM 0 H MET A 13 5.581 0.171 -8.028 1.00 0.43 H new ATOM 0 HA MET A 13 4.910 2.782 -8.837 1.00 0.37 H new ATOM 0 HB2 MET A 13 5.824 1.435 -6.269 1.00 0.42 H new ATOM 0 HB3 MET A 13 5.549 3.165 -6.316 1.00 0.42 H new ATOM 0 HG2 MET A 13 3.241 2.806 -7.131 1.00 1.20 H new ATOM 0 HG3 MET A 13 3.507 1.075 -7.183 1.00 1.20 H new ATOM 0 HE1 MET A 13 3.224 3.772 -3.527 1.00 2.54 H new ATOM 0 HE2 MET A 13 4.866 3.190 -3.891 1.00 2.54 H new ATOM 0 HE3 MET A 13 3.955 4.107 -5.115 1.00 2.54 H new ATOM 186 N ASP A 14 6.903 4.101 -9.215 1.00 0.38 N ATOM 187 CA ASP A 14 8.001 4.741 -9.923 1.00 0.43 C ATOM 188 C ASP A 14 8.001 6.275 -9.808 1.00 0.42 C ATOM 189 O ASP A 14 9.037 6.886 -10.070 1.00 0.51 O ATOM 190 CB ASP A 14 7.872 4.342 -11.401 1.00 0.55 C ATOM 191 CG ASP A 14 6.525 4.740 -12.017 1.00 0.62 C ATOM 192 OD1 ASP A 14 5.570 4.989 -11.251 1.00 1.25 O ATOM 193 OD2 ASP A 14 6.462 4.804 -13.262 1.00 1.03 O ATOM 0 H ASP A 14 6.020 4.595 -9.347 1.00 0.38 H new ATOM 0 HA ASP A 14 8.938 4.409 -9.476 1.00 0.43 H new ATOM 0 HB2 ASP A 14 8.677 4.809 -11.969 1.00 0.55 H new ATOM 0 HB3 ASP A 14 8.002 3.264 -11.493 1.00 0.55 H new ATOM 198 N CYS A 15 6.884 6.902 -9.412 1.00 0.39 N ATOM 199 CA CYS A 15 6.726 8.350 -9.349 1.00 0.38 C ATOM 200 C CYS A 15 6.104 8.736 -8.013 1.00 0.31 C ATOM 201 O CYS A 15 5.311 7.984 -7.447 1.00 0.29 O ATOM 202 CB CYS A 15 5.806 8.876 -10.465 1.00 0.43 C ATOM 203 SG CYS A 15 6.023 8.043 -12.057 1.00 0.60 S ATOM 0 H CYS A 15 6.047 6.397 -9.120 1.00 0.39 H new ATOM 0 HA CYS A 15 7.716 8.789 -9.469 1.00 0.38 H new ATOM 0 HB2 CYS A 15 4.769 8.766 -10.148 1.00 0.43 H new ATOM 0 HB3 CYS A 15 5.987 9.943 -10.598 1.00 0.43 H new ATOM 0 HG CYS A 15 5.205 8.553 -12.929 1.00 0.60 H new ATOM 208 N ALA A 16 6.382 9.959 -7.561 1.00 0.30 N ATOM 209 CA ALA A 16 5.773 10.499 -6.356 1.00 0.28 C ATOM 210 C ALA A 16 4.263 10.687 -6.540 1.00 0.22 C ATOM 211 O ALA A 16 3.503 10.558 -5.588 1.00 0.22 O ATOM 212 CB ALA A 16 6.440 11.826 -5.989 1.00 0.34 C ATOM 0 H ALA A 16 7.033 10.596 -8.020 1.00 0.30 H new ATOM 0 HA ALA A 16 5.923 9.789 -5.543 1.00 0.28 H new ATOM 0 HB1 ALA A 16 5.980 12.227 -5.086 1.00 0.34 H new ATOM 0 HB2 ALA A 16 7.503 11.662 -5.813 1.00 0.34 H new ATOM 0 HB3 ALA A 16 6.312 12.536 -6.806 1.00 0.34 H new ATOM 218 N ALA A 17 3.810 11.004 -7.757 1.00 0.22 N ATOM 219 CA ALA A 17 2.383 11.118 -8.042 1.00 0.23 C ATOM 220 C ALA A 17 1.700 9.758 -7.872 1.00 0.22 C ATOM 221 O ALA A 17 0.660 9.654 -7.219 1.00 0.24 O ATOM 222 CB ALA A 17 2.176 11.671 -9.453 1.00 0.27 C ATOM 0 H ALA A 17 4.414 11.186 -8.559 1.00 0.22 H new ATOM 0 HA ALA A 17 1.928 11.812 -7.335 1.00 0.23 H new ATOM 0 HB1 ALA A 17 1.109 11.753 -9.659 1.00 0.27 H new ATOM 0 HB2 ALA A 17 2.637 12.656 -9.529 1.00 0.27 H new ATOM 0 HB3 ALA A 17 2.634 10.999 -10.178 1.00 0.27 H new ATOM 228 N CYS A 18 2.307 8.721 -8.459 1.00 0.24 N ATOM 229 CA CYS A 18 1.892 7.336 -8.316 1.00 0.25 C ATOM 230 C CYS A 18 1.825 7.011 -6.822 1.00 0.21 C ATOM 231 O CYS A 18 0.771 6.620 -6.321 1.00 0.23 O ATOM 232 CB CYS A 18 2.843 6.425 -9.122 1.00 0.31 C ATOM 233 SG CYS A 18 2.836 6.969 -10.866 1.00 0.45 S ATOM 0 H CYS A 18 3.122 8.833 -9.062 1.00 0.24 H new ATOM 0 HA CYS A 18 0.898 7.161 -8.728 1.00 0.25 H new ATOM 0 HB2 CYS A 18 3.852 6.477 -8.714 1.00 0.31 H new ATOM 0 HB3 CYS A 18 2.523 5.386 -9.049 1.00 0.31 H new ATOM 0 HG CYS A 18 4.059 7.140 -11.272 1.00 0.45 H new ATOM 238 N ALA A 19 2.918 7.263 -6.093 1.00 0.20 N ATOM 239 CA ALA A 19 2.942 7.132 -4.642 1.00 0.22 C ATOM 240 C ALA A 19 1.744 7.814 -3.988 1.00 0.20 C ATOM 241 O ALA A 19 0.994 7.161 -3.272 1.00 0.24 O ATOM 242 CB ALA A 19 4.261 7.655 -4.073 1.00 0.25 C ATOM 0 H ALA A 19 3.806 7.562 -6.496 1.00 0.20 H new ATOM 0 HA ALA A 19 2.868 6.070 -4.406 1.00 0.22 H new ATOM 0 HB1 ALA A 19 4.257 7.548 -2.988 1.00 0.25 H new ATOM 0 HB2 ALA A 19 5.090 7.084 -4.491 1.00 0.25 H new ATOM 0 HB3 ALA A 19 4.378 8.707 -4.333 1.00 0.25 H new ATOM 248 N ARG A 20 1.530 9.108 -4.234 1.00 0.20 N ATOM 249 CA ARG A 20 0.451 9.835 -3.583 1.00 0.23 C ATOM 250 C ARG A 20 -0.914 9.218 -3.895 1.00 0.25 C ATOM 251 O ARG A 20 -1.790 9.132 -3.034 1.00 0.30 O ATOM 252 CB ARG A 20 0.474 11.325 -3.940 1.00 0.29 C ATOM 253 CG ARG A 20 0.639 12.155 -2.663 1.00 0.62 C ATOM 254 CD ARG A 20 0.413 13.642 -2.938 1.00 0.67 C ATOM 255 NE ARG A 20 0.744 14.436 -1.747 1.00 1.67 N ATOM 256 CZ ARG A 20 0.564 15.761 -1.634 1.00 2.51 C ATOM 257 NH1 ARG A 20 -0.046 16.432 -2.619 1.00 2.77 N ATOM 258 NH2 ARG A 20 0.994 16.408 -0.546 1.00 3.54 N ATOM 0 H ARG A 20 2.090 9.668 -4.877 1.00 0.20 H new ATOM 0 HA ARG A 20 0.615 9.751 -2.509 1.00 0.23 H new ATOM 0 HB2 ARG A 20 1.293 11.532 -4.629 1.00 0.29 H new ATOM 0 HB3 ARG A 20 -0.449 11.602 -4.449 1.00 0.29 H new ATOM 0 HG2 ARG A 20 -0.068 11.810 -1.908 1.00 0.62 H new ATOM 0 HG3 ARG A 20 1.639 12.006 -2.255 1.00 0.62 H new ATOM 0 HD2 ARG A 20 1.029 13.961 -3.779 1.00 0.67 H new ATOM 0 HD3 ARG A 20 -0.626 13.813 -3.220 1.00 0.67 H new ATOM 0 HE ARG A 20 1.140 13.943 -0.946 1.00 1.67 H new ATOM 0 HH11 ARG A 20 -0.371 15.936 -3.449 1.00 2.77 H new ATOM 0 HH12 ARG A 20 -0.186 17.439 -2.539 1.00 2.77 H new ATOM 0 HH21 ARG A 20 1.461 15.894 0.202 1.00 3.54 H new ATOM 0 HH22 ARG A 20 0.855 17.415 -0.464 1.00 3.54 H new ATOM 272 N LYS A 21 -1.123 8.792 -5.141 1.00 0.25 N ATOM 273 CA LYS A 21 -2.362 8.151 -5.508 1.00 0.31 C ATOM 274 C LYS A 21 -2.509 6.827 -4.762 1.00 0.27 C ATOM 275 O LYS A 21 -3.599 6.519 -4.289 1.00 0.30 O ATOM 276 CB LYS A 21 -2.415 7.997 -7.027 1.00 0.39 C ATOM 277 CG LYS A 21 -2.910 9.310 -7.647 1.00 1.16 C ATOM 278 CD LYS A 21 -2.952 9.279 -9.180 1.00 1.84 C ATOM 279 CE LYS A 21 -3.856 8.154 -9.707 1.00 1.91 C ATOM 280 NZ LYS A 21 -4.087 8.261 -11.162 1.00 2.57 N ATOM 0 H LYS A 21 -0.448 8.883 -5.901 1.00 0.25 H new ATOM 0 HA LYS A 21 -3.214 8.764 -5.214 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.427 7.747 -7.414 1.00 0.39 H new ATOM 0 HB3 LYS A 21 -3.081 7.178 -7.299 1.00 0.39 H new ATOM 0 HG2 LYS A 21 -3.908 9.529 -7.267 1.00 1.16 H new ATOM 0 HG3 LYS A 21 -2.260 10.124 -7.325 1.00 1.16 H new ATOM 0 HD2 LYS A 21 -3.312 10.238 -9.553 1.00 1.84 H new ATOM 0 HD3 LYS A 21 -1.942 9.145 -9.568 1.00 1.84 H new ATOM 0 HE2 LYS A 21 -3.401 7.189 -9.483 1.00 1.91 H new ATOM 0 HE3 LYS A 21 -4.813 8.184 -9.185 1.00 1.91 H new ATOM 0 HZ1 LYS A 21 -4.702 7.482 -11.474 1.00 2.57 H new ATOM 0 HZ2 LYS A 21 -4.545 9.170 -11.375 1.00 2.57 H new ATOM 0 HZ3 LYS A 21 -3.177 8.206 -11.663 1.00 2.57 H new ATOM 294 N VAL A 22 -1.433 6.053 -4.625 1.00 0.23 N ATOM 295 CA VAL A 22 -1.483 4.789 -3.913 1.00 0.26 C ATOM 296 C VAL A 22 -1.765 5.038 -2.433 1.00 0.21 C ATOM 297 O VAL A 22 -2.695 4.448 -1.880 1.00 0.26 O ATOM 298 CB VAL A 22 -0.191 3.999 -4.160 1.00 0.31 C ATOM 299 CG1 VAL A 22 -0.160 2.719 -3.324 1.00 0.38 C ATOM 300 CG2 VAL A 22 -0.146 3.580 -5.633 1.00 0.55 C ATOM 0 H VAL A 22 -0.514 6.286 -5.002 1.00 0.23 H new ATOM 0 HA VAL A 22 -2.301 4.175 -4.289 1.00 0.26 H new ATOM 0 HB VAL A 22 0.653 4.634 -3.890 1.00 0.31 H new ATOM 0 HG11 VAL A 22 0.767 2.179 -3.519 1.00 0.38 H new ATOM 0 HG12 VAL A 22 -0.215 2.974 -2.266 1.00 0.38 H new ATOM 0 HG13 VAL A 22 -1.009 2.090 -3.590 1.00 0.38 H new ATOM 0 HG21 VAL A 22 0.768 3.017 -5.823 1.00 0.55 H new ATOM 0 HG22 VAL A 22 -1.010 2.956 -5.860 1.00 0.55 H new ATOM 0 HG23 VAL A 22 -0.163 4.468 -6.265 1.00 0.55 H new ATOM 310 N GLU A 23 -0.979 5.902 -1.782 1.00 0.18 N ATOM 311 CA GLU A 23 -1.133 6.151 -0.360 1.00 0.23 C ATOM 312 C GLU A 23 -2.558 6.630 -0.077 1.00 0.26 C ATOM 313 O GLU A 23 -3.190 6.168 0.866 1.00 0.29 O ATOM 314 CB GLU A 23 -0.042 7.081 0.200 1.00 0.34 C ATOM 315 CG GLU A 23 -0.293 8.553 -0.116 1.00 0.36 C ATOM 316 CD GLU A 23 0.872 9.475 0.231 1.00 0.72 C ATOM 317 OE1 GLU A 23 2.001 8.957 0.357 1.00 2.26 O ATOM 318 OE2 GLU A 23 0.605 10.692 0.345 1.00 1.44 O ATOM 0 H GLU A 23 -0.232 6.437 -2.225 1.00 0.18 H new ATOM 0 HA GLU A 23 -0.987 5.216 0.180 1.00 0.23 H new ATOM 0 HB2 GLU A 23 0.018 6.952 1.281 1.00 0.34 H new ATOM 0 HB3 GLU A 23 0.924 6.787 -0.210 1.00 0.34 H new ATOM 0 HG2 GLU A 23 -0.516 8.652 -1.178 1.00 0.36 H new ATOM 0 HG3 GLU A 23 -1.178 8.884 0.428 1.00 0.36 H new ATOM 325 N ASN A 24 -3.087 7.514 -0.927 1.00 0.32 N ATOM 326 CA ASN A 24 -4.471 7.954 -0.846 1.00 0.40 C ATOM 327 C ASN A 24 -5.427 6.772 -1.017 1.00 0.42 C ATOM 328 O ASN A 24 -6.302 6.560 -0.180 1.00 0.51 O ATOM 329 CB ASN A 24 -4.751 9.021 -1.906 1.00 0.45 C ATOM 330 CG ASN A 24 -6.156 9.588 -1.733 1.00 1.36 C ATOM 331 OD1 ASN A 24 -7.140 8.975 -2.136 1.00 2.76 O ATOM 332 ND2 ASN A 24 -6.260 10.766 -1.122 1.00 1.67 N ATOM 0 H ASN A 24 -2.562 7.942 -1.690 1.00 0.32 H new ATOM 0 HA ASN A 24 -4.636 8.387 0.141 1.00 0.40 H new ATOM 0 HB2 ASN A 24 -4.016 9.822 -1.827 1.00 0.45 H new ATOM 0 HB3 ASN A 24 -4.646 8.590 -2.902 1.00 0.45 H new ATOM 0 HD21 ASN A 24 -7.178 11.186 -0.976 1.00 1.67 H new ATOM 0 HD22 ASN A 24 -5.422 11.249 -0.799 1.00 1.67 H new ATOM 339 N ALA A 25 -5.255 6.010 -2.103 1.00 0.39 N ATOM 340 CA ALA A 25 -6.112 4.894 -2.479 1.00 0.46 C ATOM 341 C ALA A 25 -6.208 3.848 -1.371 1.00 0.35 C ATOM 342 O ALA A 25 -7.268 3.256 -1.185 1.00 0.41 O ATOM 343 CB ALA A 25 -5.628 4.260 -3.785 1.00 0.55 C ATOM 0 H ALA A 25 -4.490 6.163 -2.761 1.00 0.39 H new ATOM 0 HA ALA A 25 -7.115 5.291 -2.634 1.00 0.46 H new ATOM 0 HB1 ALA A 25 -6.281 3.428 -4.049 1.00 0.55 H new ATOM 0 HB2 ALA A 25 -5.649 5.005 -4.581 1.00 0.55 H new ATOM 0 HB3 ALA A 25 -4.609 3.895 -3.656 1.00 0.55 H new ATOM 349 N VAL A 26 -5.125 3.619 -0.624 1.00 0.24 N ATOM 350 CA VAL A 26 -5.209 2.779 0.561 1.00 0.24 C ATOM 351 C VAL A 26 -5.796 3.569 1.732 1.00 0.22 C ATOM 352 O VAL A 26 -6.684 3.070 2.418 1.00 0.24 O ATOM 353 CB VAL A 26 -3.876 2.088 0.881 1.00 0.36 C ATOM 354 CG1 VAL A 26 -3.368 1.343 -0.354 1.00 1.80 C ATOM 355 CG2 VAL A 26 -2.770 3.010 1.385 1.00 1.59 C ATOM 0 H VAL A 26 -4.198 3.998 -0.818 1.00 0.24 H new ATOM 0 HA VAL A 26 -5.899 1.960 0.358 1.00 0.24 H new ATOM 0 HB VAL A 26 -4.102 1.408 1.703 1.00 0.36 H new ATOM 0 HG11 VAL A 26 -2.422 0.855 -0.121 1.00 1.80 H new ATOM 0 HG12 VAL A 26 -4.100 0.592 -0.653 1.00 1.80 H new ATOM 0 HG13 VAL A 26 -3.220 2.050 -1.170 1.00 1.80 H new ATOM 0 HG21 VAL A 26 -1.871 2.426 1.582 1.00 1.59 H new ATOM 0 HG22 VAL A 26 -2.554 3.765 0.630 1.00 1.59 H new ATOM 0 HG23 VAL A 26 -3.094 3.498 2.304 1.00 1.59 H new ATOM 365 N ARG A 27 -5.331 4.799 1.975 1.00 0.23 N ATOM 366 CA ARG A 27 -5.749 5.585 3.134 1.00 0.25 C ATOM 367 C ARG A 27 -7.273 5.713 3.214 1.00 0.29 C ATOM 368 O ARG A 27 -7.842 5.663 4.300 1.00 0.33 O ATOM 369 CB ARG A 27 -5.058 6.950 3.106 1.00 0.26 C ATOM 370 CG ARG A 27 -5.424 7.833 4.303 1.00 0.31 C ATOM 371 CD ARG A 27 -4.576 9.107 4.258 1.00 0.39 C ATOM 372 NE ARG A 27 -5.005 10.064 5.287 1.00 0.61 N ATOM 373 CZ ARG A 27 -4.554 11.324 5.386 1.00 1.13 C ATOM 374 NH1 ARG A 27 -3.575 11.744 4.575 1.00 1.73 N ATOM 375 NH2 ARG A 27 -5.088 12.158 6.286 1.00 1.35 N ATOM 0 H ARG A 27 -4.657 5.274 1.374 1.00 0.23 H new ATOM 0 HA ARG A 27 -5.442 5.063 4.040 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -3.978 6.804 3.087 1.00 0.26 H new ATOM 0 HB3 ARG A 27 -5.326 7.467 2.185 1.00 0.26 H new ATOM 0 HG2 ARG A 27 -6.484 8.085 4.275 1.00 0.31 H new ATOM 0 HG3 ARG A 27 -5.248 7.296 5.235 1.00 0.31 H new ATOM 0 HD2 ARG A 27 -3.526 8.854 4.407 1.00 0.39 H new ATOM 0 HD3 ARG A 27 -4.657 9.567 3.273 1.00 0.39 H new ATOM 0 HE ARG A 27 -5.692 9.749 5.972 1.00 0.61 H new ATOM 0 HH11 ARG A 27 -3.175 11.107 3.886 1.00 1.73 H new ATOM 0 HH12 ARG A 27 -3.229 12.701 4.646 1.00 1.73 H new ATOM 0 HH21 ARG A 27 -5.838 11.836 6.897 1.00 1.35 H new ATOM 0 HH22 ARG A 27 -4.745 13.116 6.361 1.00 1.35 H new ATOM 389 N GLN A 28 -7.935 5.860 2.064 1.00 0.33 N ATOM 390 CA GLN A 28 -9.388 5.954 1.993 1.00 0.38 C ATOM 391 C GLN A 28 -10.125 4.739 2.579 1.00 0.35 C ATOM 392 O GLN A 28 -11.321 4.850 2.828 1.00 0.40 O ATOM 393 CB GLN A 28 -9.867 6.300 0.578 1.00 0.48 C ATOM 394 CG GLN A 28 -9.422 5.240 -0.420 1.00 0.47 C ATOM 395 CD GLN A 28 -9.998 5.461 -1.812 1.00 0.62 C ATOM 396 OE1 GLN A 28 -10.808 4.673 -2.290 1.00 0.77 O ATOM 397 NE2 GLN A 28 -9.586 6.532 -2.486 1.00 0.81 N ATOM 0 H GLN A 28 -7.474 5.917 1.156 1.00 0.33 H new ATOM 0 HA GLN A 28 -9.659 6.785 2.644 1.00 0.38 H new ATOM 0 HB2 GLN A 28 -10.954 6.382 0.567 1.00 0.48 H new ATOM 0 HB3 GLN A 28 -9.471 7.272 0.283 1.00 0.48 H new ATOM 0 HG2 GLN A 28 -8.334 5.237 -0.479 1.00 0.47 H new ATOM 0 HG3 GLN A 28 -9.725 4.257 -0.058 1.00 0.47 H new ATOM 0 HE21 GLN A 28 -8.912 7.171 -2.065 1.00 0.81 H new ATOM 0 HE22 GLN A 28 -9.945 6.714 -3.423 1.00 0.81 H new ATOM 406 N LEU A 29 -9.468 3.581 2.752 1.00 0.29 N ATOM 407 CA LEU A 29 -10.148 2.357 3.166 1.00 0.30 C ATOM 408 C LEU A 29 -10.846 2.519 4.523 1.00 0.31 C ATOM 409 O LEU A 29 -12.072 2.556 4.565 1.00 0.36 O ATOM 410 CB LEU A 29 -9.169 1.176 3.162 1.00 0.27 C ATOM 411 CG LEU A 29 -8.660 0.834 1.752 1.00 0.30 C ATOM 412 CD1 LEU A 29 -7.468 -0.118 1.873 1.00 0.32 C ATOM 413 CD2 LEU A 29 -9.742 0.196 0.878 1.00 0.40 C ATOM 0 H LEU A 29 -8.464 3.473 2.609 1.00 0.29 H new ATOM 0 HA LEU A 29 -10.934 2.146 2.441 1.00 0.30 H new ATOM 0 HB2 LEU A 29 -8.320 1.411 3.804 1.00 0.27 H new ATOM 0 HB3 LEU A 29 -9.659 0.301 3.589 1.00 0.27 H new ATOM 0 HG LEU A 29 -8.365 1.765 1.268 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -7.099 -0.367 0.878 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -6.674 0.363 2.444 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -7.780 -1.029 2.383 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -9.330 -0.026 -0.107 1.00 0.40 H new ATOM 0 HD22 LEU A 29 -10.088 -0.727 1.343 1.00 0.40 H new ATOM 0 HD23 LEU A 29 -10.580 0.886 0.774 1.00 0.40 H new ATOM 425 N ALA A 30 -10.069 2.564 5.615 1.00 0.28 N ATOM 426 CA ALA A 30 -10.501 2.724 7.004 1.00 0.33 C ATOM 427 C ALA A 30 -9.389 2.289 7.968 1.00 0.31 C ATOM 428 O ALA A 30 -8.853 3.105 8.707 1.00 0.33 O ATOM 429 CB ALA A 30 -11.749 1.890 7.278 1.00 0.39 C ATOM 0 H ALA A 30 -9.055 2.484 5.542 1.00 0.28 H new ATOM 0 HA ALA A 30 -10.728 3.778 7.163 1.00 0.33 H new ATOM 0 HB1 ALA A 30 -12.054 2.022 8.316 1.00 0.39 H new ATOM 0 HB2 ALA A 30 -12.555 2.213 6.619 1.00 0.39 H new ATOM 0 HB3 ALA A 30 -11.531 0.838 7.095 1.00 0.39 H new ATOM 435 N GLY A 31 -9.072 0.987 7.965 1.00 0.31 N ATOM 436 CA GLY A 31 -8.101 0.333 8.846 1.00 0.32 C ATOM 437 C GLY A 31 -6.804 1.125 9.021 1.00 0.31 C ATOM 438 O GLY A 31 -6.258 1.207 10.119 1.00 0.35 O ATOM 0 H GLY A 31 -9.508 0.332 7.316 1.00 0.31 H new ATOM 0 HA2 GLY A 31 -8.557 0.177 9.824 1.00 0.32 H new ATOM 0 HA3 GLY A 31 -7.864 -0.652 8.444 1.00 0.32 H new ATOM 442 N VAL A 32 -6.282 1.617 7.895 1.00 0.27 N ATOM 443 CA VAL A 32 -4.998 2.264 7.762 1.00 0.25 C ATOM 444 C VAL A 32 -4.981 3.618 8.460 1.00 0.28 C ATOM 445 O VAL A 32 -5.755 4.513 8.126 1.00 0.35 O ATOM 446 CB VAL A 32 -4.581 2.319 6.290 1.00 0.26 C ATOM 447 CG1 VAL A 32 -5.736 2.508 5.322 1.00 0.26 C ATOM 448 CG2 VAL A 32 -3.534 3.387 5.993 1.00 0.32 C ATOM 0 H VAL A 32 -6.782 1.566 7.007 1.00 0.27 H new ATOM 0 HA VAL A 32 -4.242 1.669 8.275 1.00 0.25 H new ATOM 0 HB VAL A 32 -4.148 1.332 6.128 1.00 0.26 H new ATOM 0 HG11 VAL A 32 -5.354 2.536 4.301 1.00 0.26 H new ATOM 0 HG12 VAL A 32 -6.436 1.679 5.425 1.00 0.26 H new ATOM 0 HG13 VAL A 32 -6.247 3.445 5.544 1.00 0.26 H new ATOM 0 HG21 VAL A 32 -3.286 3.368 4.932 1.00 0.32 H new ATOM 0 HG22 VAL A 32 -3.930 4.368 6.256 1.00 0.32 H new ATOM 0 HG23 VAL A 32 -2.636 3.189 6.579 1.00 0.32 H new ATOM 458 N ASN A 33 -4.051 3.760 9.403 1.00 0.26 N ATOM 459 CA ASN A 33 -3.831 4.965 10.178 1.00 0.34 C ATOM 460 C ASN A 33 -2.659 5.725 9.585 1.00 0.36 C ATOM 461 O ASN A 33 -2.807 6.868 9.159 1.00 0.53 O ATOM 462 CB ASN A 33 -3.536 4.569 11.626 1.00 0.36 C ATOM 463 CG ASN A 33 -4.799 4.012 12.260 1.00 0.74 C ATOM 464 OD1 ASN A 33 -5.827 4.681 12.293 1.00 1.09 O ATOM 465 ND2 ASN A 33 -4.762 2.783 12.745 1.00 1.00 N ATOM 0 H ASN A 33 -3.410 3.007 9.652 1.00 0.26 H new ATOM 0 HA ASN A 33 -4.713 5.604 10.155 1.00 0.34 H new ATOM 0 HB2 ASN A 33 -2.741 3.824 11.657 1.00 0.36 H new ATOM 0 HB3 ASN A 33 -3.184 5.434 12.188 1.00 0.36 H new ATOM 0 HD21 ASN A 33 -5.599 2.372 13.158 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -3.896 2.245 12.707 1.00 1.00 H new ATOM 472 N GLN A 34 -1.490 5.081 9.566 1.00 0.31 N ATOM 473 CA GLN A 34 -0.260 5.671 9.072 1.00 0.44 C ATOM 474 C GLN A 34 0.156 4.885 7.836 1.00 0.47 C ATOM 475 O GLN A 34 0.577 3.734 7.935 1.00 0.82 O ATOM 476 CB GLN A 34 0.798 5.658 10.185 1.00 0.53 C ATOM 477 CG GLN A 34 2.074 6.411 9.786 1.00 0.67 C ATOM 478 CD GLN A 34 1.834 7.915 9.693 1.00 0.73 C ATOM 479 OE1 GLN A 34 1.618 8.450 8.612 1.00 1.23 O ATOM 480 NE2 GLN A 34 1.855 8.607 10.828 1.00 1.99 N ATOM 0 H GLN A 34 -1.378 4.123 9.899 1.00 0.31 H new ATOM 0 HA GLN A 34 -0.388 6.715 8.788 1.00 0.44 H new ATOM 0 HB2 GLN A 34 0.380 6.108 11.085 1.00 0.53 H new ATOM 0 HB3 GLN A 34 1.050 4.627 10.432 1.00 0.53 H new ATOM 0 HG2 GLN A 34 2.858 6.212 10.517 1.00 0.67 H new ATOM 0 HG3 GLN A 34 2.431 6.039 8.826 1.00 0.67 H new ATOM 0 HE21 GLN A 34 2.038 8.132 11.712 1.00 1.99 H new ATOM 0 HE22 GLN A 34 1.688 9.613 10.815 1.00 1.99 H new ATOM 489 N VAL A 35 0.007 5.492 6.661 1.00 0.31 N ATOM 490 CA VAL A 35 0.428 4.901 5.404 1.00 0.34 C ATOM 491 C VAL A 35 1.838 5.394 5.071 1.00 0.25 C ATOM 492 O VAL A 35 2.150 6.561 5.294 1.00 0.36 O ATOM 493 CB VAL A 35 -0.605 5.219 4.311 1.00 0.62 C ATOM 494 CG1 VAL A 35 -0.846 6.718 4.086 1.00 1.22 C ATOM 495 CG2 VAL A 35 -0.184 4.559 3.001 1.00 2.07 C ATOM 0 H VAL A 35 -0.414 6.416 6.559 1.00 0.31 H new ATOM 0 HA VAL A 35 0.475 3.814 5.477 1.00 0.34 H new ATOM 0 HB VAL A 35 -1.554 4.814 4.664 1.00 0.62 H new ATOM 0 HG11 VAL A 35 -1.588 6.853 3.299 1.00 1.22 H new ATOM 0 HG12 VAL A 35 -1.209 7.171 5.009 1.00 1.22 H new ATOM 0 HG13 VAL A 35 0.088 7.196 3.790 1.00 1.22 H new ATOM 0 HG21 VAL A 35 -0.918 4.786 2.227 1.00 2.07 H new ATOM 0 HG22 VAL A 35 0.792 4.940 2.699 1.00 2.07 H new ATOM 0 HG23 VAL A 35 -0.125 3.480 3.140 1.00 2.07 H new ATOM 505 N GLN A 36 2.688 4.510 4.540 1.00 0.21 N ATOM 506 CA GLN A 36 4.025 4.844 4.079 1.00 0.24 C ATOM 507 C GLN A 36 4.314 4.031 2.816 1.00 0.24 C ATOM 508 O GLN A 36 4.843 2.924 2.900 1.00 0.26 O ATOM 509 CB GLN A 36 5.039 4.527 5.188 1.00 0.28 C ATOM 510 CG GLN A 36 6.488 4.843 4.771 1.00 0.41 C ATOM 511 CD GLN A 36 7.462 3.799 5.306 1.00 0.98 C ATOM 512 OE1 GLN A 36 8.149 3.118 4.548 1.00 2.61 O ATOM 513 NE2 GLN A 36 7.530 3.644 6.624 1.00 0.54 N ATOM 0 H GLN A 36 2.454 3.524 4.419 1.00 0.21 H new ATOM 0 HA GLN A 36 4.103 5.906 3.845 1.00 0.24 H new ATOM 0 HB2 GLN A 36 4.788 5.101 6.080 1.00 0.28 H new ATOM 0 HB3 GLN A 36 4.963 3.473 5.455 1.00 0.28 H new ATOM 0 HG2 GLN A 36 6.555 4.882 3.684 1.00 0.41 H new ATOM 0 HG3 GLN A 36 6.768 5.829 5.143 1.00 0.41 H new ATOM 0 HE21 GLN A 36 6.951 4.219 7.236 1.00 0.54 H new ATOM 0 HE22 GLN A 36 8.161 2.950 7.024 1.00 0.54 H new ATOM 522 N VAL A 37 4.019 4.589 1.642 1.00 0.28 N ATOM 523 CA VAL A 37 4.353 3.970 0.375 1.00 0.30 C ATOM 524 C VAL A 37 5.684 4.551 -0.115 1.00 0.29 C ATOM 525 O VAL A 37 5.788 5.748 -0.371 1.00 0.41 O ATOM 526 CB VAL A 37 3.189 4.098 -0.622 1.00 0.53 C ATOM 527 CG1 VAL A 37 1.829 3.901 0.055 1.00 1.69 C ATOM 528 CG2 VAL A 37 3.145 5.421 -1.385 1.00 1.28 C ATOM 0 H VAL A 37 3.541 5.485 1.551 1.00 0.28 H new ATOM 0 HA VAL A 37 4.497 2.895 0.488 1.00 0.30 H new ATOM 0 HB VAL A 37 3.383 3.302 -1.341 1.00 0.53 H new ATOM 0 HG11 VAL A 37 1.036 4.000 -0.686 1.00 1.69 H new ATOM 0 HG12 VAL A 37 1.786 2.908 0.502 1.00 1.69 H new ATOM 0 HG13 VAL A 37 1.696 4.655 0.831 1.00 1.69 H new ATOM 0 HG21 VAL A 37 2.292 5.421 -2.064 1.00 1.28 H new ATOM 0 HG22 VAL A 37 3.047 6.245 -0.679 1.00 1.28 H new ATOM 0 HG23 VAL A 37 4.065 5.542 -1.958 1.00 1.28 H new ATOM 538 N LEU A 38 6.723 3.717 -0.199 1.00 0.29 N ATOM 539 CA LEU A 38 8.040 4.109 -0.662 1.00 0.32 C ATOM 540 C LEU A 38 8.247 3.526 -2.063 1.00 0.31 C ATOM 541 O LEU A 38 8.791 2.435 -2.252 1.00 0.31 O ATOM 542 CB LEU A 38 9.100 3.685 0.360 1.00 0.33 C ATOM 543 CG LEU A 38 10.491 4.202 -0.027 1.00 0.38 C ATOM 544 CD1 LEU A 38 10.619 5.729 0.061 1.00 0.51 C ATOM 545 CD2 LEU A 38 11.543 3.560 0.883 1.00 0.44 C ATOM 0 H LEU A 38 6.663 2.732 0.060 1.00 0.29 H new ATOM 0 HA LEU A 38 8.135 5.192 -0.745 1.00 0.32 H new ATOM 0 HB2 LEU A 38 8.830 4.066 1.345 1.00 0.33 H new ATOM 0 HB3 LEU A 38 9.122 2.598 0.433 1.00 0.33 H new ATOM 0 HG LEU A 38 10.649 3.927 -1.070 1.00 0.38 H new ATOM 0 HD11 LEU A 38 11.628 6.027 -0.226 1.00 0.51 H new ATOM 0 HD12 LEU A 38 9.898 6.194 -0.612 1.00 0.51 H new ATOM 0 HD13 LEU A 38 10.422 6.052 1.083 1.00 0.51 H new ATOM 0 HD21 LEU A 38 12.533 3.926 0.610 1.00 0.44 H new ATOM 0 HD22 LEU A 38 11.334 3.820 1.921 1.00 0.44 H new ATOM 0 HD23 LEU A 38 11.512 2.477 0.767 1.00 0.44 H new ATOM 557 N PHE A 39 7.776 4.291 -3.048 1.00 0.33 N ATOM 558 CA PHE A 39 7.990 4.021 -4.460 1.00 0.35 C ATOM 559 C PHE A 39 9.484 4.042 -4.794 1.00 0.36 C ATOM 560 O PHE A 39 10.294 4.479 -3.976 1.00 0.36 O ATOM 561 CB PHE A 39 7.229 5.064 -5.281 1.00 0.43 C ATOM 562 CG PHE A 39 7.911 6.407 -5.413 1.00 0.27 C ATOM 563 CD1 PHE A 39 7.781 7.395 -4.419 1.00 1.70 C ATOM 564 CD2 PHE A 39 8.662 6.675 -6.569 1.00 1.81 C ATOM 565 CE1 PHE A 39 8.300 8.681 -4.644 1.00 1.80 C ATOM 566 CE2 PHE A 39 9.154 7.964 -6.808 1.00 1.78 C ATOM 567 CZ PHE A 39 8.943 8.976 -5.859 1.00 0.55 C ATOM 0 H PHE A 39 7.224 5.132 -2.877 1.00 0.33 H new ATOM 0 HA PHE A 39 7.616 3.027 -4.705 1.00 0.35 H new ATOM 0 HB2 PHE A 39 7.059 4.662 -6.280 1.00 0.43 H new ATOM 0 HB3 PHE A 39 6.250 5.216 -4.827 1.00 0.43 H new ATOM 0 HD1 PHE A 39 7.285 7.166 -3.488 1.00 1.70 H new ATOM 0 HD2 PHE A 39 8.861 5.884 -7.277 1.00 1.81 H new ATOM 0 HE1 PHE A 39 8.205 9.443 -3.884 1.00 1.80 H new ATOM 0 HE2 PHE A 39 9.693 8.178 -7.719 1.00 1.78 H new ATOM 0 HZ PHE A 39 9.275 9.983 -6.062 1.00 0.55 H new ATOM 577 N ALA A 40 9.843 3.563 -5.990 1.00 0.40 N ATOM 578 CA ALA A 40 11.213 3.401 -6.474 1.00 0.41 C ATOM 579 C ALA A 40 11.910 2.268 -5.717 1.00 0.38 C ATOM 580 O ALA A 40 12.336 1.285 -6.316 1.00 0.57 O ATOM 581 CB ALA A 40 12.000 4.719 -6.449 1.00 0.45 C ATOM 0 H ALA A 40 9.151 3.264 -6.677 1.00 0.40 H new ATOM 0 HA ALA A 40 11.174 3.115 -7.525 1.00 0.41 H new ATOM 0 HB1 ALA A 40 13.011 4.546 -6.818 1.00 0.45 H new ATOM 0 HB2 ALA A 40 11.503 5.452 -7.084 1.00 0.45 H new ATOM 0 HB3 ALA A 40 12.046 5.096 -5.427 1.00 0.45 H new ATOM 587 N THR A 41 11.953 2.364 -4.388 1.00 0.32 N ATOM 588 CA THR A 41 12.440 1.337 -3.480 1.00 0.30 C ATOM 589 C THR A 41 11.505 0.117 -3.410 1.00 0.37 C ATOM 590 O THR A 41 11.782 -0.813 -2.657 1.00 0.78 O ATOM 591 CB THR A 41 12.630 1.976 -2.101 1.00 0.45 C ATOM 592 OG1 THR A 41 13.125 3.287 -2.292 1.00 0.98 O ATOM 593 CG2 THR A 41 13.618 1.208 -1.214 1.00 0.76 C ATOM 0 H THR A 41 11.634 3.199 -3.898 1.00 0.32 H new ATOM 0 HA THR A 41 13.390 0.954 -3.853 1.00 0.30 H new ATOM 0 HB THR A 41 11.665 1.966 -1.594 1.00 0.45 H new ATOM 0 HG1 THR A 41 13.253 3.718 -1.421 1.00 0.98 H new ATOM 0 HG21 THR A 41 13.709 1.711 -0.251 1.00 0.76 H new ATOM 0 HG22 THR A 41 13.255 0.192 -1.060 1.00 0.76 H new ATOM 0 HG23 THR A 41 14.593 1.175 -1.700 1.00 0.76 H new ATOM 601 N GLU A 42 10.403 0.105 -4.175 1.00 0.37 N ATOM 602 CA GLU A 42 9.589 -1.081 -4.407 1.00 0.50 C ATOM 603 C GLU A 42 8.916 -1.575 -3.116 1.00 0.41 C ATOM 604 O GLU A 42 8.684 -2.774 -2.987 1.00 0.54 O ATOM 605 CB GLU A 42 10.473 -2.170 -5.066 1.00 0.84 C ATOM 606 CG GLU A 42 9.723 -3.347 -5.719 1.00 1.34 C ATOM 607 CD GLU A 42 10.388 -4.696 -5.451 1.00 2.88 C ATOM 608 OE1 GLU A 42 11.633 -4.754 -5.557 1.00 3.50 O ATOM 609 OE2 GLU A 42 9.641 -5.653 -5.152 1.00 4.12 O ATOM 0 H GLU A 42 10.054 0.935 -4.654 1.00 0.37 H new ATOM 0 HA GLU A 42 8.772 -0.833 -5.085 1.00 0.50 H new ATOM 0 HB2 GLU A 42 11.094 -1.695 -5.826 1.00 0.84 H new ATOM 0 HB3 GLU A 42 11.147 -2.570 -4.308 1.00 0.84 H new ATOM 0 HG2 GLU A 42 8.699 -3.371 -5.345 1.00 1.34 H new ATOM 0 HG3 GLU A 42 9.666 -3.183 -6.795 1.00 1.34 H new ATOM 616 N LYS A 43 8.543 -0.705 -2.162 1.00 0.28 N ATOM 617 CA LYS A 43 7.875 -1.214 -0.966 1.00 0.30 C ATOM 618 C LYS A 43 6.942 -0.200 -0.347 1.00 0.32 C ATOM 619 O LYS A 43 7.215 0.996 -0.307 1.00 0.46 O ATOM 620 CB LYS A 43 8.880 -1.797 0.042 1.00 0.44 C ATOM 621 CG LYS A 43 8.398 -1.978 1.486 1.00 1.35 C ATOM 622 CD LYS A 43 8.417 -0.651 2.268 1.00 0.69 C ATOM 623 CE LYS A 43 9.044 -0.827 3.656 1.00 1.27 C ATOM 624 NZ LYS A 43 10.507 -1.002 3.571 1.00 2.31 N ATOM 0 H LYS A 43 8.686 0.304 -2.194 1.00 0.28 H new ATOM 0 HA LYS A 43 7.239 -2.040 -1.284 1.00 0.30 H new ATOM 0 HB2 LYS A 43 9.206 -2.768 -0.330 1.00 0.44 H new ATOM 0 HB3 LYS A 43 9.757 -1.150 0.057 1.00 0.44 H new ATOM 0 HG2 LYS A 43 7.386 -2.383 1.483 1.00 1.35 H new ATOM 0 HG3 LYS A 43 9.032 -2.707 1.992 1.00 1.35 H new ATOM 0 HD2 LYS A 43 8.978 0.096 1.706 1.00 0.69 H new ATOM 0 HD3 LYS A 43 7.400 -0.274 2.372 1.00 0.69 H new ATOM 0 HE2 LYS A 43 8.816 0.043 4.272 1.00 1.27 H new ATOM 0 HE3 LYS A 43 8.601 -1.692 4.149 1.00 1.27 H new ATOM 0 HZ1 LYS A 43 10.911 -1.016 4.529 1.00 2.31 H new ATOM 0 HZ2 LYS A 43 10.722 -1.899 3.091 1.00 2.31 H new ATOM 0 HZ3 LYS A 43 10.920 -0.214 3.033 1.00 2.31 H new ATOM 638 N LEU A 44 5.835 -0.711 0.178 1.00 0.26 N ATOM 639 CA LEU A 44 4.814 0.042 0.835 1.00 0.22 C ATOM 640 C LEU A 44 4.575 -0.615 2.182 1.00 0.14 C ATOM 641 O LEU A 44 4.590 -1.831 2.266 1.00 0.32 O ATOM 642 CB LEU A 44 3.647 0.079 -0.146 1.00 0.32 C ATOM 643 CG LEU A 44 2.307 -0.395 0.337 1.00 0.44 C ATOM 644 CD1 LEU A 44 1.831 0.381 1.552 1.00 0.54 C ATOM 645 CD2 LEU A 44 1.363 -0.204 -0.838 1.00 0.72 C ATOM 0 H LEU A 44 5.631 -1.710 0.147 1.00 0.26 H new ATOM 0 HA LEU A 44 5.045 1.080 1.074 1.00 0.22 H new ATOM 0 HB2 LEU A 44 3.533 1.106 -0.492 1.00 0.32 H new ATOM 0 HB3 LEU A 44 3.921 -0.521 -1.014 1.00 0.32 H new ATOM 0 HG LEU A 44 2.353 -1.435 0.659 1.00 0.44 H new ATOM 0 HD11 LEU A 44 0.858 0.004 1.866 1.00 0.54 H new ATOM 0 HD12 LEU A 44 2.547 0.259 2.365 1.00 0.54 H new ATOM 0 HD13 LEU A 44 1.746 1.438 1.298 1.00 0.54 H new ATOM 0 HD21 LEU A 44 0.362 -0.531 -0.557 1.00 0.72 H new ATOM 0 HD22 LEU A 44 1.336 0.850 -1.116 1.00 0.72 H new ATOM 0 HD23 LEU A 44 1.713 -0.794 -1.685 1.00 0.72 H new ATOM 657 N VAL A 45 4.425 0.194 3.225 1.00 0.20 N ATOM 658 CA VAL A 45 4.138 -0.144 4.596 1.00 0.16 C ATOM 659 C VAL A 45 2.853 0.583 4.970 1.00 0.16 C ATOM 660 O VAL A 45 2.602 1.703 4.520 1.00 0.19 O ATOM 661 CB VAL A 45 5.330 0.239 5.493 1.00 0.25 C ATOM 662 CG1 VAL A 45 4.926 0.709 6.896 1.00 0.24 C ATOM 663 CG2 VAL A 45 6.226 -0.989 5.635 1.00 0.41 C ATOM 0 H VAL A 45 4.512 1.204 3.108 1.00 0.20 H new ATOM 0 HA VAL A 45 3.994 -1.216 4.734 1.00 0.16 H new ATOM 0 HB VAL A 45 5.836 1.078 5.015 1.00 0.25 H new ATOM 0 HG11 VAL A 45 5.820 0.960 7.467 1.00 0.24 H new ATOM 0 HG12 VAL A 45 4.288 1.589 6.815 1.00 0.24 H new ATOM 0 HG13 VAL A 45 4.383 -0.088 7.404 1.00 0.24 H new ATOM 0 HG21 VAL A 45 7.080 -0.745 6.267 1.00 0.41 H new ATOM 0 HG22 VAL A 45 5.659 -1.802 6.089 1.00 0.41 H new ATOM 0 HG23 VAL A 45 6.579 -1.298 4.651 1.00 0.41 H new ATOM 673 N VAL A 46 2.032 -0.086 5.769 1.00 0.21 N ATOM 674 CA VAL A 46 0.701 0.347 6.140 1.00 0.18 C ATOM 675 C VAL A 46 0.547 -0.005 7.613 1.00 0.26 C ATOM 676 O VAL A 46 0.613 -1.189 7.941 1.00 0.48 O ATOM 677 CB VAL A 46 -0.284 -0.398 5.221 1.00 0.38 C ATOM 678 CG1 VAL A 46 -1.614 -0.764 5.870 1.00 0.82 C ATOM 679 CG2 VAL A 46 -0.591 0.440 3.975 1.00 0.31 C ATOM 0 H VAL A 46 2.290 -0.979 6.190 1.00 0.21 H new ATOM 0 HA VAL A 46 0.514 1.414 6.020 1.00 0.18 H new ATOM 0 HB VAL A 46 0.226 -1.329 4.974 1.00 0.38 H new ATOM 0 HG11 VAL A 46 -2.241 -1.285 5.146 1.00 0.82 H new ATOM 0 HG12 VAL A 46 -1.434 -1.412 6.728 1.00 0.82 H new ATOM 0 HG13 VAL A 46 -2.119 0.143 6.201 1.00 0.82 H new ATOM 0 HG21 VAL A 46 -1.289 -0.101 3.336 1.00 0.31 H new ATOM 0 HG22 VAL A 46 -1.035 1.389 4.275 1.00 0.31 H new ATOM 0 HG23 VAL A 46 0.332 0.628 3.427 1.00 0.31 H new ATOM 689 N ASP A 47 0.371 0.999 8.481 1.00 0.17 N ATOM 690 CA ASP A 47 0.134 0.796 9.898 1.00 0.22 C ATOM 691 C ASP A 47 -1.360 0.923 10.079 1.00 0.20 C ATOM 692 O ASP A 47 -1.919 2.008 9.885 1.00 0.26 O ATOM 693 CB ASP A 47 0.914 1.785 10.773 1.00 0.35 C ATOM 694 CG ASP A 47 1.872 1.054 11.703 1.00 1.42 C ATOM 695 OD1 ASP A 47 1.372 0.232 12.503 1.00 2.73 O ATOM 696 OD2 ASP A 47 3.089 1.310 11.579 1.00 1.88 O ATOM 0 H ASP A 47 0.391 1.981 8.207 1.00 0.17 H new ATOM 0 HA ASP A 47 0.491 -0.182 10.220 1.00 0.22 H new ATOM 0 HB2 ASP A 47 1.472 2.475 10.140 1.00 0.35 H new ATOM 0 HB3 ASP A 47 0.218 2.384 11.360 1.00 0.35 H new ATOM 701 N ALA A 48 -1.999 -0.217 10.332 1.00 0.22 N ATOM 702 CA ALA A 48 -3.442 -0.335 10.334 1.00 0.29 C ATOM 703 C ALA A 48 -3.904 -1.002 11.612 1.00 0.44 C ATOM 704 O ALA A 48 -3.543 -2.148 11.874 1.00 0.73 O ATOM 705 CB ALA A 48 -3.903 -1.153 9.132 1.00 0.35 C ATOM 0 H ALA A 48 -1.517 -1.091 10.543 1.00 0.22 H new ATOM 0 HA ALA A 48 -3.876 0.663 10.273 1.00 0.29 H new ATOM 0 HB1 ALA A 48 -4.990 -1.236 9.143 1.00 0.35 H new ATOM 0 HB2 ALA A 48 -3.586 -0.660 8.213 1.00 0.35 H new ATOM 0 HB3 ALA A 48 -3.463 -2.149 9.179 1.00 0.35 H new ATOM 711 N ASP A 49 -4.759 -0.318 12.368 1.00 0.45 N ATOM 712 CA ASP A 49 -5.202 -0.816 13.664 1.00 0.59 C ATOM 713 C ASP A 49 -6.585 -1.427 13.459 1.00 0.60 C ATOM 714 O ASP A 49 -7.555 -1.074 14.126 1.00 0.68 O ATOM 715 CB ASP A 49 -5.197 0.283 14.743 1.00 0.76 C ATOM 716 CG ASP A 49 -3.839 0.937 15.015 1.00 1.40 C ATOM 717 OD1 ASP A 49 -3.104 1.206 14.034 1.00 2.52 O ATOM 718 OD2 ASP A 49 -3.566 1.194 16.207 1.00 2.39 O ATOM 0 H ASP A 49 -5.158 0.583 12.104 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.511 -1.572 14.037 1.00 0.59 H new ATOM 0 HB2 ASP A 49 -5.902 1.060 14.448 1.00 0.76 H new ATOM 0 HB3 ASP A 49 -5.567 -0.146 15.674 1.00 0.76 H new ATOM 723 N ASN A 50 -6.655 -2.373 12.522 1.00 0.55 N ATOM 724 CA ASN A 50 -7.815 -3.216 12.278 1.00 0.49 C ATOM 725 C ASN A 50 -7.272 -4.405 11.498 1.00 0.44 C ATOM 726 O ASN A 50 -6.618 -5.266 12.078 1.00 0.82 O ATOM 727 CB ASN A 50 -8.921 -2.431 11.545 1.00 0.66 C ATOM 728 CG ASN A 50 -10.112 -3.311 11.154 1.00 1.67 C ATOM 729 OD1 ASN A 50 -10.879 -3.729 12.012 1.00 2.36 O ATOM 730 ND2 ASN A 50 -10.294 -3.610 9.865 1.00 2.45 N ATOM 0 H ASN A 50 -5.878 -2.576 11.894 1.00 0.55 H new ATOM 0 HA ASN A 50 -8.301 -3.559 13.191 1.00 0.49 H new ATOM 0 HB2 ASN A 50 -9.269 -1.619 12.184 1.00 0.66 H new ATOM 0 HB3 ASN A 50 -8.503 -1.974 10.648 1.00 0.66 H new ATOM 0 HD21 ASN A 50 -11.081 -4.194 9.583 1.00 2.45 H new ATOM 0 HD22 ASN A 50 -9.646 -3.254 9.162 1.00 2.45 H new ATOM 737 N ASP A 51 -7.456 -4.388 10.179 1.00 0.40 N ATOM 738 CA ASP A 51 -6.940 -5.328 9.212 1.00 0.45 C ATOM 739 C ASP A 51 -7.471 -4.884 7.857 1.00 0.42 C ATOM 740 O ASP A 51 -8.670 -4.971 7.593 1.00 0.74 O ATOM 741 CB ASP A 51 -7.408 -6.753 9.491 1.00 0.63 C ATOM 742 CG ASP A 51 -6.665 -7.754 8.609 1.00 0.95 C ATOM 743 OD1 ASP A 51 -5.718 -7.339 7.905 1.00 2.35 O ATOM 744 OD2 ASP A 51 -6.988 -8.959 8.673 1.00 1.78 O ATOM 0 H ASP A 51 -8.013 -3.658 9.735 1.00 0.40 H new ATOM 0 HA ASP A 51 -5.851 -5.337 9.253 1.00 0.45 H new ATOM 0 HB2 ASP A 51 -7.243 -6.995 10.541 1.00 0.63 H new ATOM 0 HB3 ASP A 51 -8.480 -6.830 9.311 1.00 0.63 H new ATOM 749 N ILE A 52 -6.599 -4.306 7.039 1.00 0.43 N ATOM 750 CA ILE A 52 -6.957 -3.862 5.703 1.00 0.38 C ATOM 751 C ILE A 52 -5.935 -4.247 4.660 1.00 0.42 C ATOM 752 O ILE A 52 -6.226 -4.057 3.500 1.00 0.27 O ATOM 753 CB ILE A 52 -7.196 -2.353 5.636 1.00 0.36 C ATOM 754 CG1 ILE A 52 -6.064 -1.558 6.287 1.00 0.46 C ATOM 755 CG2 ILE A 52 -8.535 -1.953 6.228 1.00 0.38 C ATOM 756 CD1 ILE A 52 -4.886 -1.433 5.339 1.00 0.49 C ATOM 0 H ILE A 52 -5.625 -4.133 7.286 1.00 0.43 H new ATOM 0 HA ILE A 52 -7.889 -4.380 5.478 1.00 0.38 H new ATOM 0 HB ILE A 52 -7.214 -2.102 4.575 1.00 0.36 H new ATOM 0 HG12 ILE A 52 -6.421 -0.566 6.564 1.00 0.46 H new ATOM 0 HG13 ILE A 52 -5.748 -2.051 7.206 1.00 0.46 H new ATOM 0 HG21 ILE A 52 -8.656 -0.872 6.156 1.00 0.38 H new ATOM 0 HG22 ILE A 52 -9.337 -2.445 5.679 1.00 0.38 H new ATOM 0 HG23 ILE A 52 -8.574 -2.254 7.275 1.00 0.38 H new ATOM 0 HD11 ILE A 52 -4.090 -0.864 5.820 1.00 0.49 H new ATOM 0 HD12 ILE A 52 -4.518 -2.427 5.083 1.00 0.49 H new ATOM 0 HD13 ILE A 52 -5.202 -0.918 4.432 1.00 0.49 H new ATOM 768 N ARG A 53 -4.755 -4.756 4.995 1.00 0.75 N ATOM 769 CA ARG A 53 -3.818 -5.263 3.996 1.00 0.50 C ATOM 770 C ARG A 53 -4.499 -6.034 2.868 1.00 0.30 C ATOM 771 O ARG A 53 -4.247 -5.756 1.707 1.00 0.24 O ATOM 772 CB ARG A 53 -2.769 -6.166 4.638 1.00 0.52 C ATOM 773 CG ARG A 53 -3.458 -6.980 5.721 1.00 0.77 C ATOM 774 CD ARG A 53 -3.174 -8.458 5.678 1.00 1.60 C ATOM 775 NE ARG A 53 -4.021 -9.079 6.716 1.00 1.97 N ATOM 776 CZ ARG A 53 -4.350 -10.371 6.814 1.00 2.61 C ATOM 777 NH1 ARG A 53 -3.717 -11.269 6.053 1.00 2.98 N ATOM 778 NH2 ARG A 53 -5.316 -10.754 7.654 1.00 3.07 N ATOM 0 H ARG A 53 -4.422 -4.829 5.956 1.00 0.75 H new ATOM 0 HA ARG A 53 -3.347 -4.380 3.565 1.00 0.50 H new ATOM 0 HB2 ARG A 53 -2.322 -6.823 3.892 1.00 0.52 H new ATOM 0 HB3 ARG A 53 -1.961 -5.571 5.063 1.00 0.52 H new ATOM 0 HG2 ARG A 53 -3.154 -6.594 6.694 1.00 0.77 H new ATOM 0 HG3 ARG A 53 -4.534 -6.829 5.640 1.00 0.77 H new ATOM 0 HD2 ARG A 53 -3.403 -8.868 4.694 1.00 1.60 H new ATOM 0 HD3 ARG A 53 -2.119 -8.656 5.869 1.00 1.60 H new ATOM 0 HE ARG A 53 -4.394 -8.457 7.433 1.00 1.97 H new ATOM 0 HH11 ARG A 53 -2.990 -10.966 5.405 1.00 2.98 H new ATOM 0 HH12 ARG A 53 -3.961 -12.257 6.121 1.00 2.98 H new ATOM 0 HH21 ARG A 53 -5.803 -10.060 8.221 1.00 3.07 H new ATOM 0 HH22 ARG A 53 -5.566 -11.740 7.728 1.00 3.07 H new ATOM 792 N ALA A 54 -5.400 -6.959 3.198 1.00 0.39 N ATOM 793 CA ALA A 54 -6.112 -7.735 2.203 1.00 0.38 C ATOM 794 C ALA A 54 -7.021 -6.846 1.333 1.00 0.31 C ATOM 795 O ALA A 54 -7.236 -7.118 0.151 1.00 0.49 O ATOM 796 CB ALA A 54 -6.795 -8.898 2.903 1.00 0.57 C ATOM 0 H ALA A 54 -5.651 -7.185 4.160 1.00 0.39 H new ATOM 0 HA ALA A 54 -5.427 -8.169 1.475 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -7.337 -9.496 2.170 1.00 0.57 H new ATOM 0 HB2 ALA A 54 -6.045 -9.518 3.394 1.00 0.57 H new ATOM 0 HB3 ALA A 54 -7.493 -8.515 3.648 1.00 0.57 H new ATOM 802 N GLN A 55 -7.489 -5.726 1.891 1.00 0.22 N ATOM 803 CA GLN A 55 -8.078 -4.639 1.132 1.00 0.18 C ATOM 804 C GLN A 55 -7.029 -3.906 0.299 1.00 0.21 C ATOM 805 O GLN A 55 -7.263 -3.681 -0.882 1.00 0.30 O ATOM 806 CB GLN A 55 -8.889 -3.671 2.003 1.00 0.34 C ATOM 807 CG GLN A 55 -10.257 -4.235 2.421 1.00 0.61 C ATOM 808 CD GLN A 55 -10.161 -5.284 3.526 1.00 1.63 C ATOM 809 OE1 GLN A 55 -9.950 -6.463 3.265 1.00 3.38 O ATOM 810 NE2 GLN A 55 -10.326 -4.865 4.777 1.00 1.21 N ATOM 0 H GLN A 55 -7.465 -5.555 2.896 1.00 0.22 H new ATOM 0 HA GLN A 55 -8.790 -5.095 0.444 1.00 0.18 H new ATOM 0 HB2 GLN A 55 -8.315 -3.428 2.897 1.00 0.34 H new ATOM 0 HB3 GLN A 55 -9.038 -2.739 1.457 1.00 0.34 H new ATOM 0 HG2 GLN A 55 -10.892 -3.417 2.760 1.00 0.61 H new ATOM 0 HG3 GLN A 55 -10.742 -4.676 1.551 1.00 0.61 H new ATOM 0 HE21 GLN A 55 -10.500 -3.878 4.965 1.00 1.21 H new ATOM 0 HE22 GLN A 55 -10.278 -5.531 5.548 1.00 1.21 H new ATOM 819 N VAL A 56 -5.893 -3.522 0.883 1.00 0.20 N ATOM 820 CA VAL A 56 -4.843 -2.791 0.197 1.00 0.25 C ATOM 821 C VAL A 56 -4.441 -3.549 -1.056 1.00 0.24 C ATOM 822 O VAL A 56 -4.385 -2.978 -2.135 1.00 0.29 O ATOM 823 CB VAL A 56 -3.602 -2.594 1.052 1.00 0.32 C ATOM 824 CG1 VAL A 56 -2.478 -1.946 0.231 1.00 0.37 C ATOM 825 CG2 VAL A 56 -3.934 -1.749 2.271 1.00 0.37 C ATOM 0 H VAL A 56 -5.680 -3.716 1.861 1.00 0.20 H new ATOM 0 HA VAL A 56 -5.247 -1.807 -0.040 1.00 0.25 H new ATOM 0 HB VAL A 56 -3.254 -3.569 1.392 1.00 0.32 H new ATOM 0 HG11 VAL A 56 -1.598 -1.813 0.860 1.00 0.37 H new ATOM 0 HG12 VAL A 56 -2.227 -2.589 -0.613 1.00 0.37 H new ATOM 0 HG13 VAL A 56 -2.810 -0.976 -0.138 1.00 0.37 H new ATOM 0 HG21 VAL A 56 -3.037 -1.615 2.876 1.00 0.37 H new ATOM 0 HG22 VAL A 56 -4.304 -0.775 1.949 1.00 0.37 H new ATOM 0 HG23 VAL A 56 -4.700 -2.250 2.863 1.00 0.37 H new ATOM 835 N GLU A 57 -4.118 -4.830 -0.904 1.00 0.24 N ATOM 836 CA GLU A 57 -3.541 -5.618 -1.965 1.00 0.28 C ATOM 837 C GLU A 57 -4.537 -5.741 -3.112 1.00 0.32 C ATOM 838 O GLU A 57 -4.224 -5.393 -4.252 1.00 0.34 O ATOM 839 CB GLU A 57 -2.997 -6.935 -1.378 1.00 0.33 C ATOM 840 CG GLU A 57 -4.036 -7.867 -0.763 1.00 0.78 C ATOM 841 CD GLU A 57 -3.388 -8.906 0.156 1.00 1.80 C ATOM 842 OE1 GLU A 57 -2.582 -8.497 1.023 1.00 3.24 O ATOM 843 OE2 GLU A 57 -3.741 -10.093 -0.002 1.00 2.50 O ATOM 0 H GLU A 57 -4.254 -5.344 -0.034 1.00 0.24 H new ATOM 0 HA GLU A 57 -2.673 -5.136 -2.416 1.00 0.28 H new ATOM 0 HB2 GLU A 57 -2.475 -7.475 -2.168 1.00 0.33 H new ATOM 0 HB3 GLU A 57 -2.257 -6.693 -0.615 1.00 0.33 H new ATOM 0 HG2 GLU A 57 -4.761 -7.282 -0.197 1.00 0.78 H new ATOM 0 HG3 GLU A 57 -4.585 -8.374 -1.556 1.00 0.78 H new ATOM 850 N SER A 58 -5.774 -6.115 -2.777 1.00 0.36 N ATOM 851 CA SER A 58 -6.903 -6.039 -3.689 1.00 0.41 C ATOM 852 C SER A 58 -6.971 -4.652 -4.346 1.00 0.42 C ATOM 853 O SER A 58 -7.111 -4.542 -5.560 1.00 0.49 O ATOM 854 CB SER A 58 -8.190 -6.380 -2.922 1.00 0.44 C ATOM 855 OG SER A 58 -9.295 -6.510 -3.800 1.00 0.87 O ATOM 0 H SER A 58 -6.016 -6.481 -1.856 1.00 0.36 H new ATOM 0 HA SER A 58 -6.782 -6.763 -4.494 1.00 0.41 H new ATOM 0 HB2 SER A 58 -8.051 -7.309 -2.369 1.00 0.44 H new ATOM 0 HB3 SER A 58 -8.396 -5.601 -2.188 1.00 0.44 H new ATOM 0 HG SER A 58 -10.099 -6.729 -3.284 1.00 0.87 H new ATOM 861 N ALA A 59 -6.861 -3.586 -3.552 1.00 0.40 N ATOM 862 CA ALA A 59 -7.093 -2.215 -3.992 1.00 0.44 C ATOM 863 C ALA A 59 -6.027 -1.767 -4.988 1.00 0.37 C ATOM 864 O ALA A 59 -6.350 -1.205 -6.028 1.00 0.37 O ATOM 865 CB ALA A 59 -7.150 -1.259 -2.796 1.00 0.48 C ATOM 0 H ALA A 59 -6.603 -3.656 -2.568 1.00 0.40 H new ATOM 0 HA ALA A 59 -8.058 -2.188 -4.498 1.00 0.44 H new ATOM 0 HB1 ALA A 59 -7.324 -0.243 -3.150 1.00 0.48 H new ATOM 0 HB2 ALA A 59 -7.962 -1.555 -2.132 1.00 0.48 H new ATOM 0 HB3 ALA A 59 -6.205 -1.298 -2.254 1.00 0.48 H new ATOM 871 N LEU A 60 -4.757 -2.016 -4.679 1.00 0.32 N ATOM 872 CA LEU A 60 -3.634 -1.750 -5.560 1.00 0.28 C ATOM 873 C LEU A 60 -3.787 -2.566 -6.834 1.00 0.29 C ATOM 874 O LEU A 60 -3.609 -2.043 -7.932 1.00 0.32 O ATOM 875 CB LEU A 60 -2.315 -2.095 -4.853 1.00 0.24 C ATOM 876 CG LEU A 60 -1.621 -0.824 -4.335 1.00 0.30 C ATOM 877 CD1 LEU A 60 -2.455 -0.171 -3.229 1.00 0.33 C ATOM 878 CD2 LEU A 60 -0.214 -1.116 -3.812 1.00 0.48 C ATOM 0 H LEU A 60 -4.478 -2.419 -3.784 1.00 0.32 H new ATOM 0 HA LEU A 60 -3.617 -0.691 -5.817 1.00 0.28 H new ATOM 0 HB2 LEU A 60 -2.510 -2.772 -4.022 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -1.654 -2.619 -5.543 1.00 0.24 H new ATOM 0 HG LEU A 60 -1.533 -0.139 -5.178 1.00 0.30 H new ATOM 0 HD11 LEU A 60 -1.949 0.727 -2.874 1.00 0.33 H new ATOM 0 HD12 LEU A 60 -3.436 0.096 -3.623 1.00 0.33 H new ATOM 0 HD13 LEU A 60 -2.575 -0.871 -2.402 1.00 0.33 H new ATOM 0 HD21 LEU A 60 0.241 -0.192 -3.456 1.00 0.48 H new ATOM 0 HD22 LEU A 60 -0.272 -1.832 -2.992 1.00 0.48 H new ATOM 0 HD23 LEU A 60 0.393 -1.533 -4.615 1.00 0.48 H new ATOM 890 N GLN A 61 -4.120 -3.850 -6.701 1.00 0.29 N ATOM 891 CA GLN A 61 -4.319 -4.685 -7.873 1.00 0.35 C ATOM 892 C GLN A 61 -5.406 -4.062 -8.758 1.00 0.39 C ATOM 893 O GLN A 61 -5.193 -3.842 -9.946 1.00 0.43 O ATOM 894 CB GLN A 61 -4.614 -6.127 -7.440 1.00 0.43 C ATOM 895 CG GLN A 61 -4.219 -7.143 -8.516 1.00 0.76 C ATOM 896 CD GLN A 61 -5.063 -7.029 -9.779 1.00 2.46 C ATOM 897 OE1 GLN A 61 -6.256 -7.313 -9.761 1.00 2.91 O ATOM 898 NE2 GLN A 61 -4.457 -6.599 -10.880 1.00 4.16 N ATOM 0 H GLN A 61 -4.254 -4.323 -5.807 1.00 0.29 H new ATOM 0 HA GLN A 61 -3.414 -4.734 -8.479 1.00 0.35 H new ATOM 0 HB2 GLN A 61 -4.074 -6.346 -6.519 1.00 0.43 H new ATOM 0 HB3 GLN A 61 -5.676 -6.229 -7.218 1.00 0.43 H new ATOM 0 HG2 GLN A 61 -3.169 -7.002 -8.773 1.00 0.76 H new ATOM 0 HG3 GLN A 61 -4.316 -8.150 -8.110 1.00 0.76 H new ATOM 0 HE21 GLN A 61 -3.463 -6.372 -10.859 1.00 4.16 H new ATOM 0 HE22 GLN A 61 -4.986 -6.496 -11.746 1.00 4.16 H new ATOM 907 N LYS A 62 -6.540 -3.707 -8.153 1.00 0.46 N ATOM 908 CA LYS A 62 -7.650 -3.044 -8.829 1.00 0.53 C ATOM 909 C LYS A 62 -7.213 -1.726 -9.482 1.00 0.54 C ATOM 910 O LYS A 62 -7.570 -1.452 -10.625 1.00 0.61 O ATOM 911 CB LYS A 62 -8.802 -2.839 -7.844 1.00 0.63 C ATOM 912 CG LYS A 62 -9.686 -4.094 -7.810 1.00 1.15 C ATOM 913 CD LYS A 62 -10.291 -4.245 -6.415 1.00 1.50 C ATOM 914 CE LYS A 62 -11.541 -5.138 -6.388 1.00 2.21 C ATOM 915 NZ LYS A 62 -12.650 -4.493 -5.655 1.00 2.76 N ATOM 0 H LYS A 62 -6.714 -3.876 -7.162 1.00 0.46 H new ATOM 0 HA LYS A 62 -7.998 -3.684 -9.640 1.00 0.53 H new ATOM 0 HB2 LYS A 62 -8.409 -2.633 -6.848 1.00 0.63 H new ATOM 0 HB3 LYS A 62 -9.395 -1.973 -8.139 1.00 0.63 H new ATOM 0 HG2 LYS A 62 -10.477 -4.017 -8.556 1.00 1.15 H new ATOM 0 HG3 LYS A 62 -9.096 -4.976 -8.061 1.00 1.15 H new ATOM 0 HD2 LYS A 62 -9.540 -4.663 -5.744 1.00 1.50 H new ATOM 0 HD3 LYS A 62 -10.549 -3.259 -6.030 1.00 1.50 H new ATOM 0 HE2 LYS A 62 -11.856 -5.356 -7.408 1.00 2.21 H new ATOM 0 HE3 LYS A 62 -11.299 -6.091 -5.918 1.00 2.21 H new ATOM 0 HZ1 LYS A 62 -13.478 -5.122 -5.655 1.00 2.76 H new ATOM 0 HZ2 LYS A 62 -12.357 -4.307 -4.675 1.00 2.76 H new ATOM 0 HZ3 LYS A 62 -12.897 -3.595 -6.118 1.00 2.76 H new ATOM 929 N ALA A 63 -6.452 -0.906 -8.755 1.00 0.50 N ATOM 930 CA ALA A 63 -5.922 0.359 -9.244 1.00 0.53 C ATOM 931 C ALA A 63 -4.942 0.139 -10.401 1.00 0.47 C ATOM 932 O ALA A 63 -4.815 1.002 -11.266 1.00 0.49 O ATOM 933 CB ALA A 63 -5.266 1.126 -8.092 1.00 0.55 C ATOM 0 H ALA A 63 -6.184 -1.110 -7.792 1.00 0.50 H new ATOM 0 HA ALA A 63 -6.746 0.957 -9.633 1.00 0.53 H new ATOM 0 HB1 ALA A 63 -4.871 2.072 -8.463 1.00 0.55 H new ATOM 0 HB2 ALA A 63 -6.007 1.321 -7.317 1.00 0.55 H new ATOM 0 HB3 ALA A 63 -4.453 0.532 -7.676 1.00 0.55 H new ATOM 939 N GLY A 64 -4.262 -1.012 -10.414 1.00 0.47 N ATOM 940 CA GLY A 64 -3.442 -1.477 -11.522 1.00 0.44 C ATOM 941 C GLY A 64 -1.975 -1.589 -11.120 1.00 0.40 C ATOM 942 O GLY A 64 -1.103 -1.114 -11.844 1.00 0.54 O ATOM 0 H GLY A 64 -4.272 -1.661 -9.627 1.00 0.47 H new ATOM 0 HA2 GLY A 64 -3.803 -2.448 -11.861 1.00 0.44 H new ATOM 0 HA3 GLY A 64 -3.539 -0.789 -12.362 1.00 0.44 H new ATOM 946 N TYR A 65 -1.696 -2.225 -9.979 1.00 0.34 N ATOM 947 CA TYR A 65 -0.352 -2.489 -9.500 1.00 0.32 C ATOM 948 C TYR A 65 -0.175 -3.990 -9.277 1.00 0.34 C ATOM 949 O TYR A 65 -1.116 -4.768 -9.425 1.00 0.63 O ATOM 950 CB TYR A 65 -0.147 -1.709 -8.200 1.00 0.36 C ATOM 951 CG TYR A 65 -0.068 -0.210 -8.390 1.00 0.38 C ATOM 952 CD1 TYR A 65 1.133 0.378 -8.823 1.00 1.60 C ATOM 953 CD2 TYR A 65 -1.211 0.586 -8.202 1.00 1.87 C ATOM 954 CE1 TYR A 65 1.197 1.765 -9.042 1.00 1.64 C ATOM 955 CE2 TYR A 65 -1.148 1.972 -8.426 1.00 1.85 C ATOM 956 CZ TYR A 65 0.061 2.563 -8.833 1.00 0.50 C ATOM 957 OH TYR A 65 0.152 3.913 -8.985 1.00 0.61 O ATOM 0 H TYR A 65 -2.421 -2.576 -9.354 1.00 0.34 H new ATOM 0 HA TYR A 65 0.391 -2.170 -10.231 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -0.967 -1.936 -7.518 1.00 0.36 H new ATOM 0 HB3 TYR A 65 0.770 -2.054 -7.722 1.00 0.36 H new ATOM 0 HD1 TYR A 65 2.006 -0.236 -8.987 1.00 1.60 H new ATOM 0 HD2 TYR A 65 -2.138 0.132 -7.885 1.00 1.87 H new ATOM 0 HE1 TYR A 65 2.121 2.217 -9.371 1.00 1.64 H new ATOM 0 HE2 TYR A 65 -2.028 2.583 -8.286 1.00 1.85 H new ATOM 0 HH TYR A 65 -0.720 4.322 -8.806 1.00 0.61 H new ATOM 967 N SER A 66 1.044 -4.388 -8.909 1.00 0.38 N ATOM 968 CA SER A 66 1.384 -5.755 -8.559 1.00 0.52 C ATOM 969 C SER A 66 2.270 -5.699 -7.315 1.00 0.71 C ATOM 970 O SER A 66 3.499 -5.647 -7.415 1.00 1.12 O ATOM 971 CB SER A 66 2.053 -6.442 -9.754 1.00 0.61 C ATOM 972 OG SER A 66 2.086 -7.843 -9.559 1.00 2.20 O ATOM 0 H SER A 66 1.836 -3.748 -8.847 1.00 0.38 H new ATOM 0 HA SER A 66 0.503 -6.352 -8.326 1.00 0.52 H new ATOM 0 HB2 SER A 66 1.508 -6.208 -10.669 1.00 0.61 H new ATOM 0 HB3 SER A 66 3.067 -6.061 -9.880 1.00 0.61 H new ATOM 0 HG SER A 66 2.514 -8.271 -10.330 1.00 2.20 H new ATOM 978 N LEU A 67 1.624 -5.642 -6.146 1.00 0.51 N ATOM 979 CA LEU A 67 2.294 -5.830 -4.867 1.00 0.54 C ATOM 980 C LEU A 67 2.418 -7.312 -4.520 1.00 0.55 C ATOM 981 O LEU A 67 1.751 -8.149 -5.127 1.00 0.57 O ATOM 982 CB LEU A 67 1.790 -4.898 -3.752 1.00 0.53 C ATOM 983 CG LEU A 67 0.654 -5.390 -2.864 1.00 0.72 C ATOM 984 CD1 LEU A 67 0.047 -4.218 -2.108 1.00 1.77 C ATOM 985 CD2 LEU A 67 -0.411 -6.051 -3.696 1.00 1.48 C ATOM 0 H LEU A 67 0.623 -5.464 -6.066 1.00 0.51 H new ATOM 0 HA LEU A 67 3.323 -5.487 -4.974 1.00 0.54 H new ATOM 0 HB2 LEU A 67 2.637 -4.660 -3.109 1.00 0.53 H new ATOM 0 HB3 LEU A 67 1.470 -3.965 -4.216 1.00 0.53 H new ATOM 0 HG LEU A 67 1.055 -6.115 -2.156 1.00 0.72 H new ATOM 0 HD11 LEU A 67 -0.765 -4.575 -1.474 1.00 1.77 H new ATOM 0 HD12 LEU A 67 0.812 -3.749 -1.488 1.00 1.77 H new ATOM 0 HD13 LEU A 67 -0.341 -3.488 -2.819 1.00 1.77 H new ATOM 0 HD21 LEU A 67 -1.216 -6.397 -3.048 1.00 1.48 H new ATOM 0 HD22 LEU A 67 -0.807 -5.335 -4.416 1.00 1.48 H new ATOM 0 HD23 LEU A 67 0.018 -6.900 -4.228 1.00 1.48 H new ATOM 997 N ARG A 68 3.272 -7.634 -3.552 1.00 0.61 N ATOM 998 CA ARG A 68 3.408 -8.972 -3.005 1.00 0.79 C ATOM 999 C ARG A 68 3.354 -8.873 -1.485 1.00 0.46 C ATOM 1000 O ARG A 68 3.988 -7.984 -0.913 1.00 0.36 O ATOM 1001 CB ARG A 68 4.717 -9.590 -3.497 1.00 1.22 C ATOM 1002 CG ARG A 68 4.716 -11.109 -3.311 1.00 1.41 C ATOM 1003 CD ARG A 68 6.000 -11.688 -3.907 1.00 3.01 C ATOM 1004 NE ARG A 68 5.986 -13.156 -3.850 1.00 3.23 N ATOM 1005 CZ ARG A 68 6.889 -13.948 -4.450 1.00 4.44 C ATOM 1006 NH1 ARG A 68 7.910 -13.399 -5.119 1.00 5.59 N ATOM 1007 NH2 ARG A 68 6.769 -15.278 -4.381 1.00 4.89 N ATOM 0 H ARG A 68 3.899 -6.955 -3.120 1.00 0.61 H new ATOM 0 HA ARG A 68 2.598 -9.621 -3.338 1.00 0.79 H new ATOM 0 HB2 ARG A 68 4.862 -9.350 -4.550 1.00 1.22 H new ATOM 0 HB3 ARG A 68 5.555 -9.155 -2.952 1.00 1.22 H new ATOM 0 HG2 ARG A 68 4.648 -11.358 -2.252 1.00 1.41 H new ATOM 0 HG3 ARG A 68 3.845 -11.547 -3.798 1.00 1.41 H new ATOM 0 HD2 ARG A 68 6.106 -11.361 -4.941 1.00 3.01 H new ATOM 0 HD3 ARG A 68 6.863 -11.307 -3.362 1.00 3.01 H new ATOM 0 HE ARG A 68 5.240 -13.604 -3.318 1.00 3.23 H new ATOM 0 HH11 ARG A 68 7.999 -12.384 -5.171 1.00 5.59 H new ATOM 0 HH12 ARG A 68 8.599 -13.995 -5.577 1.00 5.59 H new ATOM 0 HH21 ARG A 68 5.990 -15.694 -3.871 1.00 4.89 H new ATOM 0 HH22 ARG A 68 7.457 -15.877 -4.838 1.00 4.89 H new ATOM 1021 N ASP A 69 2.580 -9.771 -0.874 1.00 0.60 N ATOM 1022 CA ASP A 69 2.351 -9.971 0.548 1.00 0.70 C ATOM 1023 C ASP A 69 3.652 -9.936 1.355 1.00 0.51 C ATOM 1024 O ASP A 69 4.498 -10.814 1.214 1.00 0.66 O ATOM 1025 CB ASP A 69 1.569 -11.283 0.740 1.00 1.20 C ATOM 1026 CG ASP A 69 2.167 -12.485 0.011 1.00 3.41 C ATOM 1027 OD1 ASP A 69 2.351 -12.364 -1.225 1.00 5.04 O ATOM 1028 OD2 ASP A 69 2.387 -13.511 0.689 1.00 4.12 O ATOM 0 H ASP A 69 2.045 -10.443 -1.425 1.00 0.60 H new ATOM 0 HA ASP A 69 1.755 -9.145 0.937 1.00 0.70 H new ATOM 0 HB2 ASP A 69 1.517 -11.508 1.805 1.00 1.20 H new ATOM 0 HB3 ASP A 69 0.546 -11.136 0.395 1.00 1.20 H new ATOM 1033 N GLU A 70 3.794 -8.923 2.222 1.00 0.68 N ATOM 1034 CA GLU A 70 4.878 -8.806 3.186 1.00 0.89 C ATOM 1035 C GLU A 70 4.259 -8.456 4.553 1.00 1.31 C ATOM 1036 O GLU A 70 4.586 -7.459 5.204 1.00 1.59 O ATOM 1037 CB GLU A 70 5.887 -7.763 2.672 1.00 0.80 C ATOM 1038 CG GLU A 70 7.315 -8.298 2.589 1.00 1.34 C ATOM 1039 CD GLU A 70 8.330 -7.197 2.278 1.00 1.43 C ATOM 1040 OE1 GLU A 70 8.007 -6.014 2.545 1.00 2.45 O ATOM 1041 OE2 GLU A 70 9.407 -7.558 1.753 1.00 2.11 O ATOM 0 H GLU A 70 3.136 -8.145 2.267 1.00 0.68 H new ATOM 0 HA GLU A 70 5.432 -9.736 3.309 1.00 0.89 H new ATOM 0 HB2 GLU A 70 5.576 -7.422 1.685 1.00 0.80 H new ATOM 0 HB3 GLU A 70 5.869 -6.894 3.330 1.00 0.80 H new ATOM 0 HG2 GLU A 70 7.577 -8.775 3.533 1.00 1.34 H new ATOM 0 HG3 GLU A 70 7.368 -9.067 1.818 1.00 1.34 H new