USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 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= -0.0561 USER MOD Set 1.2: A 18 CYS SG : rot 129:sc= 0.37 USER MOD Single : A 6 TYR OH : rot -132:sc= 2.09 USER MOD Single : A 7 SER OG : rot -142:sc= -0.0482 USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= 1.22 (180deg=1.08) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 164:sc= -6.99! (180deg=-7.36!) USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0188) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.851 K(o=0.85,f=-0.82) USER MOD Single : A 34 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.011) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.414) USER MOD Single : A 50 ASN : amide:sc= -0.0927 X(o=-0.093,f=-0.0069) USER MOD Single : A 55 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) 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 1.928 -3.028 11.939 1.00 0.52 N ATOM 34 CA ARG A 5 2.553 -2.659 10.696 1.00 0.51 C ATOM 35 C ARG A 5 2.493 -3.868 9.768 1.00 0.49 C ATOM 36 O ARG A 5 2.808 -4.989 10.159 1.00 0.72 O ATOM 37 CB ARG A 5 3.984 -2.168 10.951 1.00 0.66 C ATOM 38 CG ARG A 5 4.603 -1.620 9.663 1.00 0.98 C ATOM 39 CD ARG A 5 5.436 -2.642 8.867 1.00 0.58 C ATOM 40 NE ARG A 5 6.727 -2.946 9.507 1.00 0.91 N ATOM 41 CZ ARG A 5 7.623 -3.849 9.064 1.00 1.20 C ATOM 42 NH1 ARG A 5 7.463 -4.451 7.878 1.00 2.64 N ATOM 43 NH2 ARG A 5 8.673 -4.172 9.823 1.00 1.52 N ATOM 0 HA ARG A 5 2.031 -1.830 10.217 1.00 0.51 H new ATOM 0 HB2 ARG A 5 3.977 -1.392 11.716 1.00 0.66 H new ATOM 0 HB3 ARG A 5 4.593 -2.987 11.333 1.00 0.66 H new ATOM 0 HG2 ARG A 5 3.805 -1.244 9.023 1.00 0.98 H new ATOM 0 HG3 ARG A 5 5.238 -0.770 9.913 1.00 0.98 H new ATOM 0 HD2 ARG A 5 4.864 -3.563 8.757 1.00 0.58 H new ATOM 0 HD3 ARG A 5 5.615 -2.256 7.864 1.00 0.58 H new ATOM 0 HE ARG A 5 6.962 -2.431 10.355 1.00 0.91 H new ATOM 0 HH11 ARG A 5 6.655 -4.228 7.298 1.00 2.64 H new ATOM 0 HH12 ARG A 5 8.150 -5.133 7.555 1.00 2.64 H new ATOM 0 HH21 ARG A 5 8.796 -3.735 10.737 1.00 1.52 H new ATOM 0 HH22 ARG A 5 9.353 -4.856 9.489 1.00 1.52 H new ATOM 57 N TYR A 6 2.083 -3.628 8.532 1.00 0.36 N ATOM 58 CA TYR A 6 2.127 -4.561 7.422 1.00 0.27 C ATOM 59 C TYR A 6 2.957 -3.958 6.289 1.00 0.29 C ATOM 60 O TYR A 6 3.244 -2.757 6.296 1.00 0.55 O ATOM 61 CB TYR A 6 0.702 -4.809 6.949 1.00 0.36 C ATOM 62 CG TYR A 6 -0.246 -5.410 7.954 1.00 0.65 C ATOM 63 CD1 TYR A 6 -0.183 -6.792 8.170 1.00 2.26 C ATOM 64 CD2 TYR A 6 -1.377 -4.687 8.373 1.00 1.53 C ATOM 65 CE1 TYR A 6 -1.218 -7.439 8.861 1.00 2.51 C ATOM 66 CE2 TYR A 6 -2.482 -5.364 8.917 1.00 1.55 C ATOM 67 CZ TYR A 6 -2.387 -6.741 9.199 1.00 1.35 C ATOM 68 OH TYR A 6 -3.483 -7.501 9.492 1.00 1.92 O ATOM 0 H TYR A 6 1.689 -2.726 8.264 1.00 0.36 H new ATOM 0 HA TYR A 6 2.583 -5.502 7.731 1.00 0.27 H new ATOM 0 HB2 TYR A 6 0.285 -3.860 6.612 1.00 0.36 H new ATOM 0 HB3 TYR A 6 0.741 -5.467 6.081 1.00 0.36 H new ATOM 0 HD1 TYR A 6 0.661 -7.359 7.805 1.00 2.26 H new ATOM 0 HD2 TYR A 6 -1.397 -3.611 8.277 1.00 1.53 H new ATOM 0 HE1 TYR A 6 -1.115 -8.479 9.134 1.00 2.51 H new ATOM 0 HE2 TYR A 6 -3.400 -4.831 9.118 1.00 1.55 H new ATOM 0 HH TYR A 6 -4.261 -7.154 9.008 1.00 1.92 H new ATOM 78 N SER A 7 3.372 -4.771 5.313 1.00 0.29 N ATOM 79 CA SER A 7 4.184 -4.308 4.191 1.00 0.22 C ATOM 80 C SER A 7 3.919 -5.120 2.929 1.00 0.12 C ATOM 81 O SER A 7 3.567 -6.295 3.013 1.00 0.18 O ATOM 82 CB SER A 7 5.663 -4.402 4.587 1.00 0.33 C ATOM 83 OG SER A 7 5.845 -3.754 5.835 1.00 1.95 O ATOM 0 H SER A 7 3.153 -5.767 5.281 1.00 0.29 H new ATOM 0 HA SER A 7 3.918 -3.275 3.966 1.00 0.22 H new ATOM 0 HB2 SER A 7 5.969 -5.446 4.656 1.00 0.33 H new ATOM 0 HB3 SER A 7 6.288 -3.936 3.825 1.00 0.33 H new ATOM 0 HG SER A 7 6.701 -3.276 5.834 1.00 1.95 H new ATOM 89 N TRP A 8 4.092 -4.476 1.770 1.00 0.12 N ATOM 90 CA TRP A 8 3.986 -5.087 0.456 1.00 0.14 C ATOM 91 C TRP A 8 5.161 -4.618 -0.396 1.00 0.17 C ATOM 92 O TRP A 8 5.537 -3.448 -0.303 1.00 0.20 O ATOM 93 CB TRP A 8 2.644 -4.705 -0.194 1.00 0.19 C ATOM 94 CG TRP A 8 1.471 -5.095 0.645 1.00 0.18 C ATOM 95 CD1 TRP A 8 0.894 -6.313 0.690 1.00 0.26 C ATOM 96 CD2 TRP A 8 0.775 -4.383 1.692 1.00 0.19 C ATOM 97 NE1 TRP A 8 0.250 -6.432 1.924 1.00 0.24 N ATOM 98 CE2 TRP A 8 0.501 -5.302 2.712 1.00 0.22 C ATOM 99 CE3 TRP A 8 0.192 -3.130 1.934 1.00 0.24 C ATOM 100 CZ2 TRP A 8 0.214 -4.737 3.987 1.00 0.27 C ATOM 101 CZ3 TRP A 8 -0.930 -3.125 2.803 1.00 0.27 C ATOM 102 CH2 TRP A 8 -0.695 -3.675 4.028 1.00 0.28 C ATOM 0 H TRP A 8 4.317 -3.482 1.728 1.00 0.12 H new ATOM 0 HA TRP A 8 4.018 -6.173 0.541 1.00 0.14 H new ATOM 0 HB2 TRP A 8 2.621 -3.629 -0.367 1.00 0.19 H new ATOM 0 HB3 TRP A 8 2.566 -5.187 -1.169 1.00 0.19 H new ATOM 0 HD1 TRP A 8 0.924 -7.062 -0.088 1.00 0.26 H new ATOM 0 HE1 TRP A 8 -0.321 -7.227 2.210 1.00 0.24 H new ATOM 0 HE3 TRP A 8 0.574 -2.224 1.486 1.00 0.24 H new ATOM 0 HZ2 TRP A 8 0.679 -5.113 4.886 1.00 0.27 H new ATOM 0 HZ3 TRP A 8 -1.889 -2.719 2.518 1.00 0.27 H new ATOM 0 HH2 TRP A 8 -1.163 -3.326 4.937 1.00 0.28 H new ATOM 113 N LYS A 9 5.692 -5.507 -1.241 1.00 0.25 N ATOM 114 CA LYS A 9 6.666 -5.180 -2.271 1.00 0.31 C ATOM 115 C LYS A 9 5.885 -5.019 -3.562 1.00 0.36 C ATOM 116 O LYS A 9 4.927 -5.764 -3.766 1.00 0.52 O ATOM 117 CB LYS A 9 7.720 -6.285 -2.437 1.00 0.44 C ATOM 118 CG LYS A 9 7.164 -7.611 -2.992 1.00 0.88 C ATOM 119 CD LYS A 9 8.024 -8.831 -2.635 1.00 0.83 C ATOM 120 CE LYS A 9 9.468 -8.743 -3.157 1.00 1.37 C ATOM 121 NZ LYS A 9 10.446 -9.052 -2.095 1.00 2.16 N ATOM 0 H LYS A 9 5.446 -6.497 -1.222 1.00 0.25 H new ATOM 0 HA LYS A 9 7.205 -4.273 -1.999 1.00 0.31 H new ATOM 0 HB2 LYS A 9 8.505 -5.926 -3.103 1.00 0.44 H new ATOM 0 HB3 LYS A 9 8.185 -6.476 -1.470 1.00 0.44 H new ATOM 0 HG2 LYS A 9 6.155 -7.762 -2.608 1.00 0.88 H new ATOM 0 HG3 LYS A 9 7.084 -7.537 -4.077 1.00 0.88 H new ATOM 0 HD2 LYS A 9 8.045 -8.945 -1.551 1.00 0.83 H new ATOM 0 HD3 LYS A 9 7.554 -9.727 -3.041 1.00 0.83 H new ATOM 0 HE2 LYS A 9 9.599 -9.437 -3.987 1.00 1.37 H new ATOM 0 HE3 LYS A 9 9.655 -7.742 -3.546 1.00 1.37 H new ATOM 0 HZ1 LYS A 9 11.387 -8.713 -2.380 1.00 2.16 H new ATOM 0 HZ2 LYS A 9 10.161 -8.581 -1.213 1.00 2.16 H new ATOM 0 HZ3 LYS A 9 10.480 -10.080 -1.943 1.00 2.16 H new ATOM 135 N VAL A 10 6.266 -4.064 -4.409 1.00 0.46 N ATOM 136 CA VAL A 10 5.489 -3.694 -5.580 1.00 0.58 C ATOM 137 C VAL A 10 6.338 -3.405 -6.815 1.00 0.79 C ATOM 138 O VAL A 10 6.976 -2.359 -6.929 1.00 1.83 O ATOM 139 CB VAL A 10 4.535 -2.553 -5.218 1.00 0.65 C ATOM 140 CG1 VAL A 10 5.254 -1.243 -4.865 1.00 1.29 C ATOM 141 CG2 VAL A 10 3.520 -2.402 -6.358 1.00 1.61 C ATOM 0 H VAL A 10 7.126 -3.526 -4.298 1.00 0.46 H new ATOM 0 HA VAL A 10 4.895 -4.558 -5.876 1.00 0.58 H new ATOM 0 HB VAL A 10 4.008 -2.806 -4.298 1.00 0.65 H new ATOM 0 HG11 VAL A 10 4.517 -0.478 -4.619 1.00 1.29 H new ATOM 0 HG12 VAL A 10 5.908 -1.406 -4.008 1.00 1.29 H new ATOM 0 HG13 VAL A 10 5.848 -0.913 -5.717 1.00 1.29 H new ATOM 0 HG21 VAL A 10 2.827 -1.594 -6.124 1.00 1.61 H new ATOM 0 HG22 VAL A 10 4.045 -2.173 -7.285 1.00 1.61 H new ATOM 0 HG23 VAL A 10 2.965 -3.333 -6.476 1.00 1.61 H new ATOM 151 N SER A 11 6.285 -4.315 -7.790 1.00 0.58 N ATOM 152 CA SER A 11 6.972 -4.133 -9.060 1.00 0.54 C ATOM 153 C SER A 11 6.202 -3.125 -9.917 1.00 0.51 C ATOM 154 O SER A 11 5.541 -3.520 -10.875 1.00 0.97 O ATOM 155 CB SER A 11 7.099 -5.495 -9.753 1.00 0.73 C ATOM 156 OG SER A 11 7.827 -6.385 -8.928 1.00 2.17 O ATOM 0 H SER A 11 5.767 -5.191 -7.718 1.00 0.58 H new ATOM 0 HA SER A 11 7.974 -3.734 -8.904 1.00 0.54 H new ATOM 0 HB2 SER A 11 6.109 -5.902 -9.959 1.00 0.73 H new ATOM 0 HB3 SER A 11 7.602 -5.380 -10.713 1.00 0.73 H new ATOM 0 HG SER A 11 7.905 -7.255 -9.373 1.00 2.17 H new ATOM 162 N GLY A 12 6.259 -1.836 -9.565 1.00 0.54 N ATOM 163 CA GLY A 12 5.550 -0.811 -10.321 1.00 0.53 C ATOM 164 C GLY A 12 5.919 0.624 -9.940 1.00 0.68 C ATOM 165 O GLY A 12 6.262 1.416 -10.812 1.00 1.43 O ATOM 0 H GLY A 12 6.786 -1.484 -8.766 1.00 0.54 H new ATOM 0 HA2 GLY A 12 5.751 -0.955 -11.383 1.00 0.53 H new ATOM 0 HA3 GLY A 12 4.478 -0.948 -10.178 1.00 0.53 H new ATOM 169 N MET A 13 5.780 0.990 -8.661 1.00 0.44 N ATOM 170 CA MET A 13 5.756 2.397 -8.260 1.00 0.39 C ATOM 171 C MET A 13 7.078 3.118 -8.537 1.00 0.43 C ATOM 172 O MET A 13 8.118 2.779 -7.972 1.00 0.58 O ATOM 173 CB MET A 13 5.398 2.534 -6.784 1.00 0.53 C ATOM 174 CG MET A 13 4.005 2.025 -6.456 1.00 1.10 C ATOM 175 SD MET A 13 3.727 2.039 -4.679 1.00 1.64 S ATOM 176 CE MET A 13 2.378 0.860 -4.572 1.00 3.01 C ATOM 0 H MET A 13 5.683 0.331 -7.889 1.00 0.44 H new ATOM 0 HA MET A 13 4.989 2.874 -8.870 1.00 0.39 H new ATOM 0 HB2 MET A 13 6.128 1.986 -6.188 1.00 0.53 H new ATOM 0 HB3 MET A 13 5.472 3.582 -6.495 1.00 0.53 H new ATOM 0 HG2 MET A 13 3.259 2.647 -6.951 1.00 1.10 H new ATOM 0 HG3 MET A 13 3.882 1.013 -6.841 1.00 1.10 H new ATOM 0 HE1 MET A 13 2.264 0.530 -3.539 1.00 3.01 H new ATOM 0 HE2 MET A 13 1.454 1.333 -4.906 1.00 3.01 H new ATOM 0 HE3 MET A 13 2.595 0.000 -5.206 1.00 3.01 H new ATOM 186 N ASP A 14 6.991 4.154 -9.367 1.00 0.41 N ATOM 187 CA ASP A 14 8.070 4.798 -10.094 1.00 0.48 C ATOM 188 C ASP A 14 8.127 6.319 -9.870 1.00 0.45 C ATOM 189 O ASP A 14 9.191 6.907 -10.052 1.00 0.52 O ATOM 190 CB ASP A 14 7.838 4.497 -11.584 1.00 0.61 C ATOM 191 CG ASP A 14 6.462 4.948 -12.089 1.00 0.67 C ATOM 192 OD1 ASP A 14 5.581 5.238 -11.253 1.00 1.18 O ATOM 193 OD2 ASP A 14 6.295 5.018 -13.324 1.00 1.14 O ATOM 0 H ASP A 14 6.092 4.596 -9.560 1.00 0.41 H new ATOM 0 HA ASP A 14 9.023 4.410 -9.735 1.00 0.48 H new ATOM 0 HB2 ASP A 14 8.612 4.990 -12.172 1.00 0.61 H new ATOM 0 HB3 ASP A 14 7.945 3.425 -11.752 1.00 0.61 H new ATOM 198 N CYS A 15 7.016 6.952 -9.466 1.00 0.42 N ATOM 199 CA CYS A 15 6.874 8.397 -9.337 1.00 0.39 C ATOM 200 C CYS A 15 6.259 8.745 -7.985 1.00 0.32 C ATOM 201 O CYS A 15 5.454 7.989 -7.442 1.00 0.30 O ATOM 202 CB CYS A 15 5.953 8.971 -10.428 1.00 0.47 C ATOM 203 SG CYS A 15 6.157 8.195 -12.053 1.00 0.66 S ATOM 0 H CYS A 15 6.166 6.448 -9.213 1.00 0.42 H new ATOM 0 HA CYS A 15 7.871 8.827 -9.435 1.00 0.39 H new ATOM 0 HB2 CYS A 15 4.917 8.857 -10.110 1.00 0.47 H new ATOM 0 HB3 CYS A 15 6.142 10.040 -10.522 1.00 0.47 H new ATOM 0 HG CYS A 15 5.339 8.743 -12.902 1.00 0.66 H new ATOM 208 N ALA A 16 6.553 9.952 -7.499 1.00 0.33 N ATOM 209 CA ALA A 16 5.936 10.488 -6.295 1.00 0.32 C ATOM 210 C ALA A 16 4.427 10.646 -6.481 1.00 0.27 C ATOM 211 O ALA A 16 3.659 10.402 -5.556 1.00 0.30 O ATOM 212 CB ALA A 16 6.582 11.831 -5.942 1.00 0.38 C ATOM 0 H ALA A 16 7.227 10.583 -7.933 1.00 0.33 H new ATOM 0 HA ALA A 16 6.097 9.789 -5.474 1.00 0.32 H new ATOM 0 HB1 ALA A 16 6.119 12.232 -5.040 1.00 0.38 H new ATOM 0 HB2 ALA A 16 7.649 11.687 -5.769 1.00 0.38 H new ATOM 0 HB3 ALA A 16 6.439 12.531 -6.765 1.00 0.38 H new ATOM 218 N ALA A 17 3.991 11.059 -7.676 1.00 0.28 N ATOM 219 CA ALA A 17 2.572 11.169 -7.992 1.00 0.28 C ATOM 220 C ALA A 17 1.890 9.814 -7.795 1.00 0.27 C ATOM 221 O ALA A 17 0.903 9.710 -7.068 1.00 0.34 O ATOM 222 CB ALA A 17 2.394 11.677 -9.426 1.00 0.31 C ATOM 0 H ALA A 17 4.610 11.323 -8.442 1.00 0.28 H new ATOM 0 HA ALA A 17 2.103 11.887 -7.319 1.00 0.28 H new ATOM 0 HB1 ALA A 17 1.331 11.756 -9.655 1.00 0.31 H new ATOM 0 HB2 ALA A 17 2.861 12.657 -9.525 1.00 0.31 H new ATOM 0 HB3 ALA A 17 2.863 10.980 -10.120 1.00 0.31 H new ATOM 228 N CYS A 18 2.449 8.782 -8.432 1.00 0.25 N ATOM 229 CA CYS A 18 2.016 7.399 -8.316 1.00 0.25 C ATOM 230 C CYS A 18 1.956 7.024 -6.830 1.00 0.21 C ATOM 231 O CYS A 18 0.901 6.631 -6.333 1.00 0.23 O ATOM 232 CB CYS A 18 2.949 6.507 -9.162 1.00 0.32 C ATOM 233 SG CYS A 18 2.940 7.114 -10.887 1.00 0.49 S ATOM 0 H CYS A 18 3.242 8.897 -9.063 1.00 0.25 H new ATOM 0 HA CYS A 18 1.012 7.249 -8.713 1.00 0.25 H new ATOM 0 HB2 CYS A 18 3.961 6.531 -8.759 1.00 0.32 H new ATOM 0 HB3 CYS A 18 2.615 5.470 -9.125 1.00 0.32 H new ATOM 0 HG CYS A 18 4.163 7.285 -11.293 1.00 0.49 H new ATOM 238 N ALA A 19 3.057 7.225 -6.101 1.00 0.21 N ATOM 239 CA ALA A 19 3.126 6.987 -4.665 1.00 0.27 C ATOM 240 C ALA A 19 1.966 7.651 -3.917 1.00 0.29 C ATOM 241 O ALA A 19 1.292 7.007 -3.115 1.00 0.34 O ATOM 242 CB ALA A 19 4.465 7.479 -4.115 1.00 0.34 C ATOM 0 H ALA A 19 3.933 7.561 -6.500 1.00 0.21 H new ATOM 0 HA ALA A 19 3.043 5.912 -4.504 1.00 0.27 H new ATOM 0 HB1 ALA A 19 4.506 7.297 -3.041 1.00 0.34 H new ATOM 0 HB2 ALA A 19 5.278 6.944 -4.606 1.00 0.34 H new ATOM 0 HB3 ALA A 19 4.566 8.547 -4.306 1.00 0.34 H new ATOM 248 N ARG A 20 1.722 8.939 -4.171 1.00 0.30 N ATOM 249 CA ARG A 20 0.652 9.672 -3.527 1.00 0.33 C ATOM 250 C ARG A 20 -0.711 9.074 -3.888 1.00 0.28 C ATOM 251 O ARG A 20 -1.603 8.994 -3.044 1.00 0.30 O ATOM 252 CB ARG A 20 0.702 11.156 -3.915 1.00 0.39 C ATOM 253 CG ARG A 20 1.267 12.061 -2.804 1.00 0.83 C ATOM 254 CD ARG A 20 0.473 13.379 -2.660 1.00 0.75 C ATOM 255 NE ARG A 20 -0.040 13.609 -1.294 1.00 1.60 N ATOM 256 CZ ARG A 20 -0.621 12.695 -0.500 1.00 3.18 C ATOM 257 NH1 ARG A 20 -1.080 11.540 -0.983 1.00 4.63 N ATOM 258 NH2 ARG A 20 -0.699 12.898 0.815 1.00 4.00 N ATOM 0 H ARG A 20 2.266 9.495 -4.831 1.00 0.30 H new ATOM 0 HA ARG A 20 0.789 9.591 -2.449 1.00 0.33 H new ATOM 0 HB2 ARG A 20 1.313 11.269 -4.811 1.00 0.39 H new ATOM 0 HB3 ARG A 20 -0.303 11.491 -4.170 1.00 0.39 H new ATOM 0 HG2 ARG A 20 1.249 11.523 -1.856 1.00 0.83 H new ATOM 0 HG3 ARG A 20 2.310 12.290 -3.021 1.00 0.83 H new ATOM 0 HD2 ARG A 20 1.114 14.213 -2.945 1.00 0.75 H new ATOM 0 HD3 ARG A 20 -0.365 13.368 -3.358 1.00 0.75 H new ATOM 0 HE ARG A 20 0.056 14.552 -0.918 1.00 1.60 H new ATOM 0 HH11 ARG A 20 -0.994 11.333 -1.978 1.00 4.63 H new ATOM 0 HH12 ARG A 20 -1.517 10.863 -0.357 1.00 4.63 H new ATOM 0 HH21 ARG A 20 -0.316 13.751 1.223 1.00 4.00 H new ATOM 0 HH22 ARG A 20 -1.141 12.200 1.413 1.00 4.00 H new ATOM 272 N LYS A 21 -0.896 8.704 -5.156 1.00 0.26 N ATOM 273 CA LYS A 21 -2.143 8.118 -5.615 1.00 0.26 C ATOM 274 C LYS A 21 -2.386 6.817 -4.851 1.00 0.22 C ATOM 275 O LYS A 21 -3.491 6.574 -4.369 1.00 0.29 O ATOM 276 CB LYS A 21 -2.095 7.924 -7.142 1.00 0.36 C ATOM 277 CG LYS A 21 -3.465 8.085 -7.818 1.00 0.79 C ATOM 278 CD LYS A 21 -4.364 6.850 -7.656 1.00 2.28 C ATOM 279 CE LYS A 21 -5.777 7.085 -8.211 1.00 2.73 C ATOM 280 NZ LYS A 21 -6.567 8.004 -7.365 1.00 4.07 N ATOM 0 H LYS A 21 -0.188 8.803 -5.884 1.00 0.26 H new ATOM 0 HA LYS A 21 -2.985 8.779 -5.413 1.00 0.26 H new ATOM 0 HB2 LYS A 21 -1.399 8.645 -7.571 1.00 0.36 H new ATOM 0 HB3 LYS A 21 -1.703 6.931 -7.363 1.00 0.36 H new ATOM 0 HG2 LYS A 21 -3.971 8.954 -7.397 1.00 0.79 H new ATOM 0 HG3 LYS A 21 -3.319 8.284 -8.880 1.00 0.79 H new ATOM 0 HD2 LYS A 21 -3.910 6.002 -8.169 1.00 2.28 H new ATOM 0 HD3 LYS A 21 -4.429 6.586 -6.600 1.00 2.28 H new ATOM 0 HE2 LYS A 21 -5.706 7.494 -9.219 1.00 2.73 H new ATOM 0 HE3 LYS A 21 -6.297 6.130 -8.290 1.00 2.73 H new ATOM 0 HZ1 LYS A 21 -7.547 8.039 -7.712 1.00 4.07 H new ATOM 0 HZ2 LYS A 21 -6.560 7.664 -6.382 1.00 4.07 H new ATOM 0 HZ3 LYS A 21 -6.151 8.956 -7.405 1.00 4.07 H new ATOM 294 N VAL A 22 -1.347 5.996 -4.716 1.00 0.18 N ATOM 295 CA VAL A 22 -1.409 4.737 -3.999 1.00 0.22 C ATOM 296 C VAL A 22 -1.766 5.010 -2.548 1.00 0.22 C ATOM 297 O VAL A 22 -2.736 4.441 -2.042 1.00 0.29 O ATOM 298 CB VAL A 22 -0.061 4.019 -4.095 1.00 0.23 C ATOM 299 CG1 VAL A 22 -0.021 2.758 -3.224 1.00 0.29 C ATOM 300 CG2 VAL A 22 0.230 3.645 -5.549 1.00 0.38 C ATOM 0 H VAL A 22 -0.427 6.195 -5.110 1.00 0.18 H new ATOM 0 HA VAL A 22 -2.172 4.096 -4.440 1.00 0.22 H new ATOM 0 HB VAL A 22 0.702 4.705 -3.728 1.00 0.23 H new ATOM 0 HG11 VAL A 22 0.953 2.279 -3.322 1.00 0.29 H new ATOM 0 HG12 VAL A 22 -0.189 3.030 -2.182 1.00 0.29 H new ATOM 0 HG13 VAL A 22 -0.799 2.067 -3.548 1.00 0.29 H new ATOM 0 HG21 VAL A 22 1.191 3.134 -5.608 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -0.555 2.985 -5.919 1.00 0.38 H new ATOM 0 HG23 VAL A 22 0.261 4.549 -6.158 1.00 0.38 H new ATOM 310 N GLU A 23 -0.972 5.850 -1.868 1.00 0.20 N ATOM 311 CA GLU A 23 -1.180 6.043 -0.445 1.00 0.27 C ATOM 312 C GLU A 23 -2.623 6.487 -0.213 1.00 0.25 C ATOM 313 O GLU A 23 -3.272 6.047 0.725 1.00 0.26 O ATOM 314 CB GLU A 23 -0.156 6.985 0.214 1.00 0.35 C ATOM 315 CG GLU A 23 -0.516 8.453 0.006 1.00 0.42 C ATOM 316 CD GLU A 23 0.273 9.414 0.870 1.00 0.74 C ATOM 317 OE1 GLU A 23 1.492 9.219 1.023 1.00 1.62 O ATOM 318 OE2 GLU A 23 -0.398 10.381 1.309 1.00 1.90 O ATOM 0 H GLU A 23 -0.206 6.387 -2.274 1.00 0.20 H new ATOM 0 HA GLU A 23 -1.011 5.088 0.052 1.00 0.27 H new ATOM 0 HB2 GLU A 23 -0.102 6.772 1.282 1.00 0.35 H new ATOM 0 HB3 GLU A 23 0.834 6.792 -0.200 1.00 0.35 H new ATOM 0 HG2 GLU A 23 -0.357 8.710 -1.041 1.00 0.42 H new ATOM 0 HG3 GLU A 23 -1.578 8.587 0.210 1.00 0.42 H new ATOM 325 N ASN A 24 -3.125 7.357 -1.094 1.00 0.24 N ATOM 326 CA ASN A 24 -4.490 7.850 -1.032 1.00 0.29 C ATOM 327 C ASN A 24 -5.470 6.691 -1.199 1.00 0.30 C ATOM 328 O ASN A 24 -6.354 6.496 -0.366 1.00 0.38 O ATOM 329 CB ASN A 24 -4.704 8.896 -2.125 1.00 0.36 C ATOM 330 CG ASN A 24 -6.041 9.597 -1.949 1.00 1.30 C ATOM 331 OD1 ASN A 24 -7.081 9.076 -2.338 1.00 2.72 O ATOM 332 ND2 ASN A 24 -6.007 10.794 -1.374 1.00 1.55 N ATOM 0 H ASN A 24 -2.587 7.737 -1.872 1.00 0.24 H new ATOM 0 HA ASN A 24 -4.667 8.313 -0.061 1.00 0.29 H new ATOM 0 HB2 ASN A 24 -3.898 9.629 -2.096 1.00 0.36 H new ATOM 0 HB3 ASN A 24 -4.665 8.418 -3.104 1.00 0.36 H new ATOM 0 HD21 ASN A 24 -6.870 11.320 -1.240 1.00 1.55 H new ATOM 0 HD22 ASN A 24 -5.117 11.187 -1.066 1.00 1.55 H new ATOM 339 N ALA A 25 -5.283 5.924 -2.278 1.00 0.29 N ATOM 340 CA ALA A 25 -6.111 4.788 -2.652 1.00 0.37 C ATOM 341 C ALA A 25 -6.218 3.758 -1.528 1.00 0.30 C ATOM 342 O ALA A 25 -7.258 3.119 -1.396 1.00 0.36 O ATOM 343 CB ALA A 25 -5.578 4.152 -3.938 1.00 0.47 C ATOM 0 H ALA A 25 -4.521 6.089 -2.935 1.00 0.29 H new ATOM 0 HA ALA A 25 -7.121 5.156 -2.834 1.00 0.37 H new ATOM 0 HB1 ALA A 25 -6.204 3.302 -4.210 1.00 0.47 H new ATOM 0 HB2 ALA A 25 -5.595 4.888 -4.742 1.00 0.47 H new ATOM 0 HB3 ALA A 25 -4.555 3.812 -3.779 1.00 0.47 H new ATOM 349 N VAL A 26 -5.174 3.600 -0.710 1.00 0.24 N ATOM 350 CA VAL A 26 -5.265 2.758 0.477 1.00 0.26 C ATOM 351 C VAL A 26 -5.825 3.533 1.675 1.00 0.22 C ATOM 352 O VAL A 26 -6.642 3.006 2.422 1.00 0.25 O ATOM 353 CB VAL A 26 -3.935 2.057 0.782 1.00 0.40 C ATOM 354 CG1 VAL A 26 -3.433 1.303 -0.452 1.00 1.87 C ATOM 355 CG2 VAL A 26 -2.820 2.970 1.276 1.00 1.53 C ATOM 0 H VAL A 26 -4.265 4.041 -0.849 1.00 0.24 H new ATOM 0 HA VAL A 26 -5.981 1.963 0.266 1.00 0.26 H new ATOM 0 HB VAL A 26 -4.167 1.378 1.602 1.00 0.40 H new ATOM 0 HG11 VAL A 26 -2.489 0.811 -0.219 1.00 1.87 H new ATOM 0 HG12 VAL A 26 -4.169 0.554 -0.745 1.00 1.87 H new ATOM 0 HG13 VAL A 26 -3.283 2.006 -1.272 1.00 1.87 H new ATOM 0 HG21 VAL A 26 -1.923 2.380 1.463 1.00 1.53 H new ATOM 0 HG22 VAL A 26 -2.606 3.725 0.520 1.00 1.53 H new ATOM 0 HG23 VAL A 26 -3.132 3.459 2.199 1.00 1.53 H new ATOM 365 N ARG A 27 -5.412 4.785 1.882 1.00 0.22 N ATOM 366 CA ARG A 27 -5.808 5.563 3.051 1.00 0.24 C ATOM 367 C ARG A 27 -7.330 5.688 3.138 1.00 0.28 C ATOM 368 O ARG A 27 -7.894 5.680 4.229 1.00 0.31 O ATOM 369 CB ARG A 27 -5.112 6.926 3.030 1.00 0.25 C ATOM 370 CG ARG A 27 -5.371 7.710 4.320 1.00 0.32 C ATOM 371 CD ARG A 27 -4.438 8.922 4.387 1.00 0.43 C ATOM 372 NE ARG A 27 -4.614 9.649 5.654 1.00 0.67 N ATOM 373 CZ ARG A 27 -3.829 10.654 6.074 1.00 1.34 C ATOM 374 NH1 ARG A 27 -2.804 11.061 5.314 1.00 2.01 N ATOM 375 NH2 ARG A 27 -4.075 11.248 7.246 1.00 1.53 N ATOM 0 H ARG A 27 -4.794 5.285 1.243 1.00 0.22 H new ATOM 0 HA ARG A 27 -5.488 5.041 3.953 1.00 0.24 H new ATOM 0 HB2 ARG A 27 -4.039 6.786 2.898 1.00 0.25 H new ATOM 0 HB3 ARG A 27 -5.466 7.503 2.175 1.00 0.25 H new ATOM 0 HG2 ARG A 27 -6.410 8.037 4.355 1.00 0.32 H new ATOM 0 HG3 ARG A 27 -5.210 7.067 5.185 1.00 0.32 H new ATOM 0 HD2 ARG A 27 -3.403 8.595 4.291 1.00 0.43 H new ATOM 0 HD3 ARG A 27 -4.640 9.589 3.549 1.00 0.43 H new ATOM 0 HE ARG A 27 -5.388 9.369 6.257 1.00 0.67 H new ATOM 0 HH11 ARG A 27 -2.621 10.608 4.419 1.00 2.01 H new ATOM 0 HH12 ARG A 27 -2.206 11.824 5.631 1.00 2.01 H new ATOM 0 HH21 ARG A 27 -4.859 10.938 7.821 1.00 1.53 H new ATOM 0 HH22 ARG A 27 -3.479 12.012 7.566 1.00 1.53 H new ATOM 389 N GLN A 28 -7.993 5.768 1.984 1.00 0.31 N ATOM 390 CA GLN A 28 -9.445 5.802 1.897 1.00 0.38 C ATOM 391 C GLN A 28 -10.143 4.582 2.521 1.00 0.36 C ATOM 392 O GLN A 28 -11.352 4.648 2.720 1.00 0.42 O ATOM 393 CB GLN A 28 -9.922 6.079 0.464 1.00 0.48 C ATOM 394 CG GLN A 28 -9.400 5.021 -0.499 1.00 0.46 C ATOM 395 CD GLN A 28 -9.973 5.162 -1.902 1.00 0.66 C ATOM 396 OE1 GLN A 28 -10.710 4.303 -2.375 1.00 0.88 O ATOM 397 NE2 GLN A 28 -9.643 6.251 -2.592 1.00 0.86 N ATOM 0 H GLN A 28 -7.528 5.811 1.077 1.00 0.31 H new ATOM 0 HA GLN A 28 -9.754 6.644 2.516 1.00 0.38 H new ATOM 0 HB2 GLN A 28 -11.012 6.095 0.436 1.00 0.48 H new ATOM 0 HB3 GLN A 28 -9.580 7.064 0.147 1.00 0.48 H new ATOM 0 HG2 GLN A 28 -8.313 5.086 -0.548 1.00 0.46 H new ATOM 0 HG3 GLN A 28 -9.643 4.032 -0.111 1.00 0.46 H new ATOM 0 HE21 GLN A 28 -9.028 6.951 -2.177 1.00 0.86 H new ATOM 0 HE22 GLN A 28 -10.005 6.386 -3.536 1.00 0.86 H new ATOM 406 N LEU A 29 -9.447 3.460 2.768 1.00 0.31 N ATOM 407 CA LEU A 29 -10.109 2.218 3.154 1.00 0.33 C ATOM 408 C LEU A 29 -10.894 2.365 4.462 1.00 0.33 C ATOM 409 O LEU A 29 -12.120 2.326 4.434 1.00 0.42 O ATOM 410 CB LEU A 29 -9.084 1.079 3.219 1.00 0.32 C ATOM 411 CG LEU A 29 -8.530 0.713 1.832 1.00 0.36 C ATOM 412 CD1 LEU A 29 -7.323 -0.212 2.005 1.00 0.39 C ATOM 413 CD2 LEU A 29 -9.600 0.060 0.955 1.00 0.44 C ATOM 0 H LEU A 29 -8.431 3.395 2.706 1.00 0.31 H new ATOM 0 HA LEU A 29 -10.846 1.971 2.390 1.00 0.33 H new ATOM 0 HB2 LEU A 29 -8.261 1.371 3.871 1.00 0.32 H new ATOM 0 HB3 LEU A 29 -9.549 0.200 3.666 1.00 0.32 H new ATOM 0 HG LEU A 29 -8.218 1.625 1.324 1.00 0.36 H new ATOM 0 HD11 LEU A 29 -6.924 -0.476 1.026 1.00 0.39 H new ATOM 0 HD12 LEU A 29 -6.554 0.298 2.585 1.00 0.39 H new ATOM 0 HD13 LEU A 29 -7.631 -1.118 2.528 1.00 0.39 H new ATOM 0 HD21 LEU A 29 -9.173 -0.185 -0.018 1.00 0.44 H new ATOM 0 HD22 LEU A 29 -9.957 -0.851 1.435 1.00 0.44 H new ATOM 0 HD23 LEU A 29 -10.433 0.751 0.822 1.00 0.44 H new ATOM 425 N ALA A 30 -10.187 2.487 5.595 1.00 0.28 N ATOM 426 CA ALA A 30 -10.714 2.601 6.957 1.00 0.31 C ATOM 427 C ALA A 30 -9.626 2.273 7.987 1.00 0.29 C ATOM 428 O ALA A 30 -9.134 3.158 8.678 1.00 0.30 O ATOM 429 CB ALA A 30 -11.893 1.649 7.154 1.00 0.36 C ATOM 0 H ALA A 30 -9.167 2.510 5.580 1.00 0.28 H new ATOM 0 HA ALA A 30 -11.048 3.628 7.102 1.00 0.31 H new ATOM 0 HB1 ALA A 30 -12.273 1.746 8.171 1.00 0.36 H new ATOM 0 HB2 ALA A 30 -12.684 1.898 6.446 1.00 0.36 H new ATOM 0 HB3 ALA A 30 -11.565 0.623 6.986 1.00 0.36 H new ATOM 435 N GLY A 31 -9.270 0.984 8.092 1.00 0.32 N ATOM 436 CA GLY A 31 -8.318 0.419 9.052 1.00 0.35 C ATOM 437 C GLY A 31 -7.011 1.202 9.183 1.00 0.31 C ATOM 438 O GLY A 31 -6.394 1.220 10.246 1.00 0.33 O ATOM 0 H GLY A 31 -9.661 0.272 7.475 1.00 0.32 H new ATOM 0 HA2 GLY A 31 -8.795 0.367 10.030 1.00 0.35 H new ATOM 0 HA3 GLY A 31 -8.086 -0.604 8.756 1.00 0.35 H new ATOM 442 N VAL A 32 -6.534 1.739 8.057 1.00 0.32 N ATOM 443 CA VAL A 32 -5.222 2.322 7.924 1.00 0.26 C ATOM 444 C VAL A 32 -5.121 3.673 8.622 1.00 0.25 C ATOM 445 O VAL A 32 -5.901 4.584 8.354 1.00 0.31 O ATOM 446 CB VAL A 32 -4.788 2.322 6.460 1.00 0.27 C ATOM 447 CG1 VAL A 32 -5.892 2.700 5.493 1.00 0.35 C ATOM 448 CG2 VAL A 32 -3.612 3.255 6.225 1.00 0.33 C ATOM 0 H VAL A 32 -7.077 1.775 7.194 1.00 0.32 H new ATOM 0 HA VAL A 32 -4.499 1.699 8.452 1.00 0.26 H new ATOM 0 HB VAL A 32 -4.502 1.289 6.261 1.00 0.27 H new ATOM 0 HG11 VAL A 32 -5.506 2.677 4.474 1.00 0.35 H new ATOM 0 HG12 VAL A 32 -6.715 1.991 5.585 1.00 0.35 H new ATOM 0 HG13 VAL A 32 -6.250 3.704 5.723 1.00 0.35 H new ATOM 0 HG21 VAL A 32 -3.331 3.228 5.172 1.00 0.33 H new ATOM 0 HG22 VAL A 32 -3.893 4.271 6.500 1.00 0.33 H new ATOM 0 HG23 VAL A 32 -2.766 2.935 6.834 1.00 0.33 H new ATOM 458 N ASN A 33 -4.124 3.789 9.500 1.00 0.24 N ATOM 459 CA ASN A 33 -3.902 4.949 10.344 1.00 0.30 C ATOM 460 C ASN A 33 -2.758 5.779 9.782 1.00 0.32 C ATOM 461 O ASN A 33 -2.946 6.952 9.461 1.00 0.42 O ATOM 462 CB ASN A 33 -3.610 4.465 11.766 1.00 0.35 C ATOM 463 CG ASN A 33 -4.875 3.867 12.379 1.00 0.69 C ATOM 464 OD1 ASN A 33 -5.954 4.441 12.275 1.00 1.01 O ATOM 465 ND2 ASN A 33 -4.778 2.708 13.012 1.00 1.01 N ATOM 0 H ASN A 33 -3.432 3.053 9.643 1.00 0.24 H new ATOM 0 HA ASN A 33 -4.786 5.586 10.368 1.00 0.30 H new ATOM 0 HB2 ASN A 33 -2.815 3.719 11.750 1.00 0.35 H new ATOM 0 HB3 ASN A 33 -3.256 5.295 12.377 1.00 0.35 H new ATOM 0 HD21 ASN A 33 -5.608 2.280 13.422 1.00 1.01 H new ATOM 0 HD22 ASN A 33 -3.873 2.244 13.090 1.00 1.01 H new ATOM 472 N GLN A 34 -1.578 5.167 9.644 1.00 0.29 N ATOM 473 CA GLN A 34 -0.415 5.801 9.040 1.00 0.32 C ATOM 474 C GLN A 34 -0.037 4.957 7.826 1.00 0.33 C ATOM 475 O GLN A 34 0.259 3.774 7.957 1.00 0.58 O ATOM 476 CB GLN A 34 0.722 5.914 10.071 1.00 0.36 C ATOM 477 CG GLN A 34 1.893 6.779 9.586 1.00 0.40 C ATOM 478 CD GLN A 34 1.587 8.265 9.738 1.00 0.64 C ATOM 479 OE1 GLN A 34 1.155 8.919 8.794 1.00 1.03 O ATOM 480 NE2 GLN A 34 1.799 8.810 10.933 1.00 2.06 N ATOM 0 H GLN A 34 -1.408 4.210 9.953 1.00 0.29 H new ATOM 0 HA GLN A 34 -0.624 6.821 8.718 1.00 0.32 H new ATOM 0 HB2 GLN A 34 0.326 6.335 10.995 1.00 0.36 H new ATOM 0 HB3 GLN A 34 1.090 4.916 10.308 1.00 0.36 H new ATOM 0 HG2 GLN A 34 2.790 6.531 10.153 1.00 0.40 H new ATOM 0 HG3 GLN A 34 2.105 6.555 8.541 1.00 0.40 H new ATOM 0 HE21 GLN A 34 2.159 8.239 11.697 1.00 2.06 H new ATOM 0 HE22 GLN A 34 1.602 9.799 11.085 1.00 2.06 H new ATOM 489 N VAL A 35 -0.090 5.549 6.634 1.00 0.29 N ATOM 490 CA VAL A 35 0.343 4.904 5.406 1.00 0.35 C ATOM 491 C VAL A 35 1.734 5.434 5.057 1.00 0.27 C ATOM 492 O VAL A 35 2.016 6.607 5.290 1.00 0.41 O ATOM 493 CB VAL A 35 -0.693 5.150 4.294 1.00 0.68 C ATOM 494 CG1 VAL A 35 -0.948 6.637 4.009 1.00 1.15 C ATOM 495 CG2 VAL A 35 -0.260 4.443 3.009 1.00 2.14 C ATOM 0 H VAL A 35 -0.438 6.498 6.497 1.00 0.29 H new ATOM 0 HA VAL A 35 0.413 3.823 5.526 1.00 0.35 H new ATOM 0 HB VAL A 35 -1.635 4.737 4.656 1.00 0.68 H new ATOM 0 HG11 VAL A 35 -1.688 6.734 3.215 1.00 1.15 H new ATOM 0 HG12 VAL A 35 -1.319 7.122 4.912 1.00 1.15 H new ATOM 0 HG13 VAL A 35 -0.018 7.112 3.698 1.00 1.15 H new ATOM 0 HG21 VAL A 35 -0.999 4.623 2.228 1.00 2.14 H new ATOM 0 HG22 VAL A 35 0.707 4.830 2.689 1.00 2.14 H new ATOM 0 HG23 VAL A 35 -0.179 3.372 3.193 1.00 2.14 H new ATOM 505 N GLN A 36 2.600 4.580 4.504 1.00 0.21 N ATOM 506 CA GLN A 36 3.921 4.972 4.043 1.00 0.29 C ATOM 507 C GLN A 36 4.251 4.186 2.771 1.00 0.27 C ATOM 508 O GLN A 36 4.682 3.032 2.834 1.00 0.32 O ATOM 509 CB GLN A 36 4.933 4.715 5.163 1.00 0.35 C ATOM 510 CG GLN A 36 6.344 5.167 4.753 1.00 0.48 C ATOM 511 CD GLN A 36 7.434 4.743 5.731 1.00 0.76 C ATOM 512 OE1 GLN A 36 7.421 3.489 6.182 1.00 1.74 O flip ATOM 513 NE2 GLN A 36 8.325 5.518 6.051 1.00 0.57 N flip ATOM 0 H GLN A 36 2.395 3.590 4.366 1.00 0.21 H new ATOM 0 HA GLN A 36 3.958 6.034 3.800 1.00 0.29 H new ATOM 0 HB2 GLN A 36 4.625 5.247 6.063 1.00 0.35 H new ATOM 0 HB3 GLN A 36 4.946 3.653 5.408 1.00 0.35 H new ATOM 0 HG2 GLN A 36 6.574 4.760 3.768 1.00 0.48 H new ATOM 0 HG3 GLN A 36 6.355 6.253 4.660 1.00 0.48 H new ATOM 0 HE21 GLN A 36 8.320 6.475 5.697 1.00 0.57 H new ATOM 0 HE22 GLN A 36 9.072 5.207 6.672 1.00 0.57 H new ATOM 522 N VAL A 37 4.083 4.828 1.614 1.00 0.26 N ATOM 523 CA VAL A 37 4.390 4.257 0.311 1.00 0.26 C ATOM 524 C VAL A 37 5.773 4.759 -0.104 1.00 0.27 C ATOM 525 O VAL A 37 5.933 5.949 -0.365 1.00 0.40 O ATOM 526 CB VAL A 37 3.300 4.668 -0.691 1.00 0.44 C ATOM 527 CG1 VAL A 37 3.610 4.125 -2.086 1.00 2.39 C ATOM 528 CG2 VAL A 37 1.938 4.112 -0.261 1.00 1.93 C ATOM 0 H VAL A 37 3.721 5.780 1.561 1.00 0.26 H new ATOM 0 HA VAL A 37 4.407 3.168 0.342 1.00 0.26 H new ATOM 0 HB VAL A 37 3.274 5.757 -0.713 1.00 0.44 H new ATOM 0 HG11 VAL A 37 2.824 4.429 -2.778 1.00 2.39 H new ATOM 0 HG12 VAL A 37 4.567 4.521 -2.426 1.00 2.39 H new ATOM 0 HG13 VAL A 37 3.660 3.037 -2.050 1.00 2.39 H new ATOM 0 HG21 VAL A 37 1.178 4.413 -0.982 1.00 1.93 H new ATOM 0 HG22 VAL A 37 1.986 3.024 -0.218 1.00 1.93 H new ATOM 0 HG23 VAL A 37 1.680 4.503 0.723 1.00 1.93 H new ATOM 538 N LEU A 38 6.773 3.871 -0.154 1.00 0.25 N ATOM 539 CA LEU A 38 8.113 4.203 -0.593 1.00 0.28 C ATOM 540 C LEU A 38 8.296 3.602 -1.986 1.00 0.27 C ATOM 541 O LEU A 38 8.844 2.510 -2.159 1.00 0.27 O ATOM 542 CB LEU A 38 9.138 3.700 0.427 1.00 0.31 C ATOM 543 CG LEU A 38 10.565 4.126 0.059 1.00 0.36 C ATOM 544 CD1 LEU A 38 10.781 5.640 0.199 1.00 0.50 C ATOM 545 CD2 LEU A 38 11.566 3.390 0.954 1.00 0.44 C ATOM 0 H LEU A 38 6.662 2.893 0.115 1.00 0.25 H new ATOM 0 HA LEU A 38 8.267 5.280 -0.658 1.00 0.28 H new ATOM 0 HB2 LEU A 38 8.887 4.086 1.415 1.00 0.31 H new ATOM 0 HB3 LEU A 38 9.087 2.613 0.487 1.00 0.31 H new ATOM 0 HG LEU A 38 10.720 3.866 -0.988 1.00 0.36 H new ATOM 0 HD11 LEU A 38 11.807 5.888 -0.073 1.00 0.50 H new ATOM 0 HD12 LEU A 38 10.093 6.168 -0.461 1.00 0.50 H new ATOM 0 HD13 LEU A 38 10.597 5.940 1.231 1.00 0.50 H new ATOM 0 HD21 LEU A 38 12.580 3.693 0.692 1.00 0.44 H new ATOM 0 HD22 LEU A 38 11.372 3.638 1.998 1.00 0.44 H new ATOM 0 HD23 LEU A 38 11.460 2.315 0.810 1.00 0.44 H new ATOM 557 N PHE A 39 7.810 4.345 -2.978 1.00 0.29 N ATOM 558 CA PHE A 39 8.038 4.038 -4.377 1.00 0.32 C ATOM 559 C PHE A 39 9.536 4.047 -4.693 1.00 0.33 C ATOM 560 O PHE A 39 10.349 4.447 -3.857 1.00 0.33 O ATOM 561 CB PHE A 39 7.295 5.053 -5.246 1.00 0.42 C ATOM 562 CG PHE A 39 7.994 6.381 -5.420 1.00 0.28 C ATOM 563 CD1 PHE A 39 7.917 7.387 -4.441 1.00 1.65 C ATOM 564 CD2 PHE A 39 8.729 6.604 -6.597 1.00 1.86 C ATOM 565 CE1 PHE A 39 8.469 8.652 -4.700 1.00 1.73 C ATOM 566 CE2 PHE A 39 9.266 7.869 -6.862 1.00 1.86 C ATOM 567 CZ PHE A 39 9.101 8.904 -5.931 1.00 0.58 C ATOM 0 H PHE A 39 7.245 5.180 -2.827 1.00 0.29 H new ATOM 0 HA PHE A 39 7.658 3.039 -4.592 1.00 0.32 H new ATOM 0 HB2 PHE A 39 7.131 4.614 -6.230 1.00 0.42 H new ATOM 0 HB3 PHE A 39 6.312 5.232 -4.809 1.00 0.42 H new ATOM 0 HD1 PHE A 39 7.436 7.188 -3.495 1.00 1.65 H new ATOM 0 HD2 PHE A 39 8.880 5.797 -7.299 1.00 1.86 H new ATOM 0 HE1 PHE A 39 8.408 9.431 -3.954 1.00 1.73 H new ATOM 0 HE2 PHE A 39 9.806 8.047 -7.780 1.00 1.86 H new ATOM 0 HZ PHE A 39 9.460 9.897 -6.159 1.00 0.58 H new ATOM 577 N ALA A 40 9.895 3.614 -5.905 1.00 0.36 N ATOM 578 CA ALA A 40 11.267 3.472 -6.378 1.00 0.36 C ATOM 579 C ALA A 40 11.945 2.309 -5.658 1.00 0.35 C ATOM 580 O ALA A 40 12.262 1.304 -6.285 1.00 0.58 O ATOM 581 CB ALA A 40 12.059 4.785 -6.292 1.00 0.41 C ATOM 0 H ALA A 40 9.207 3.343 -6.608 1.00 0.36 H new ATOM 0 HA ALA A 40 11.243 3.234 -7.441 1.00 0.36 H new ATOM 0 HB1 ALA A 40 13.073 4.623 -6.656 1.00 0.41 H new ATOM 0 HB2 ALA A 40 11.571 5.545 -6.903 1.00 0.41 H new ATOM 0 HB3 ALA A 40 12.095 5.121 -5.256 1.00 0.41 H new ATOM 587 N THR A 41 12.073 2.387 -4.330 1.00 0.33 N ATOM 588 CA THR A 41 12.502 1.274 -3.489 1.00 0.31 C ATOM 589 C THR A 41 11.309 0.331 -3.251 1.00 0.40 C ATOM 590 O THR A 41 11.001 0.005 -2.107 1.00 1.19 O ATOM 591 CB THR A 41 13.076 1.824 -2.170 1.00 0.51 C ATOM 592 OG1 THR A 41 13.862 2.981 -2.397 1.00 1.16 O ATOM 593 CG2 THR A 41 13.965 0.796 -1.465 1.00 0.85 C ATOM 0 H THR A 41 11.878 3.239 -3.805 1.00 0.33 H new ATOM 0 HA THR A 41 13.289 0.701 -3.980 1.00 0.31 H new ATOM 0 HB THR A 41 12.217 2.063 -1.543 1.00 0.51 H new ATOM 0 HG1 THR A 41 14.213 3.311 -1.543 1.00 1.16 H new ATOM 0 HG21 THR A 41 14.350 1.222 -0.539 1.00 0.85 H new ATOM 0 HG22 THR A 41 13.381 -0.096 -1.238 1.00 0.85 H new ATOM 0 HG23 THR A 41 14.798 0.528 -2.115 1.00 0.85 H new ATOM 601 N GLU A 42 10.628 -0.032 -4.346 1.00 0.51 N ATOM 602 CA GLU A 42 9.479 -0.916 -4.516 1.00 0.42 C ATOM 603 C GLU A 42 8.764 -1.441 -3.261 1.00 0.35 C ATOM 604 O GLU A 42 8.429 -2.625 -3.238 1.00 0.47 O ATOM 605 CB GLU A 42 9.900 -2.051 -5.462 1.00 0.66 C ATOM 606 CG GLU A 42 11.049 -2.899 -4.909 1.00 1.94 C ATOM 607 CD GLU A 42 12.427 -2.375 -5.296 1.00 3.13 C ATOM 608 OE1 GLU A 42 12.787 -2.575 -6.475 1.00 3.58 O ATOM 609 OE2 GLU A 42 13.090 -1.802 -4.405 1.00 4.36 O ATOM 0 H GLU A 42 10.914 0.341 -5.251 1.00 0.51 H new ATOM 0 HA GLU A 42 8.692 -0.289 -4.935 1.00 0.42 H new ATOM 0 HB2 GLU A 42 9.041 -2.694 -5.653 1.00 0.66 H new ATOM 0 HB3 GLU A 42 10.199 -1.625 -6.420 1.00 0.66 H new ATOM 0 HG2 GLU A 42 10.974 -2.935 -3.822 1.00 1.94 H new ATOM 0 HG3 GLU A 42 10.943 -3.922 -5.270 1.00 1.94 H new ATOM 616 N LYS A 43 8.410 -0.601 -2.274 1.00 0.24 N ATOM 617 CA LYS A 43 7.630 -1.079 -1.140 1.00 0.31 C ATOM 618 C LYS A 43 6.617 -0.081 -0.618 1.00 0.35 C ATOM 619 O LYS A 43 6.724 1.132 -0.791 1.00 0.60 O ATOM 620 CB LYS A 43 8.500 -1.679 -0.020 1.00 0.47 C ATOM 621 CG LYS A 43 9.263 -0.725 0.916 1.00 1.02 C ATOM 622 CD LYS A 43 8.412 0.120 1.881 1.00 0.96 C ATOM 623 CE LYS A 43 9.290 0.737 2.981 1.00 1.78 C ATOM 624 NZ LYS A 43 8.567 1.772 3.751 1.00 3.22 N ATOM 0 H LYS A 43 8.649 0.390 -2.245 1.00 0.24 H new ATOM 0 HA LYS A 43 7.037 -1.900 -1.543 1.00 0.31 H new ATOM 0 HB2 LYS A 43 7.857 -2.304 0.599 1.00 0.47 H new ATOM 0 HB3 LYS A 43 9.231 -2.338 -0.487 1.00 0.47 H new ATOM 0 HG2 LYS A 43 9.963 -1.315 1.507 1.00 1.02 H new ATOM 0 HG3 LYS A 43 9.856 -0.047 0.302 1.00 1.02 H new ATOM 0 HD2 LYS A 43 7.903 0.910 1.329 1.00 0.96 H new ATOM 0 HD3 LYS A 43 7.639 -0.502 2.332 1.00 0.96 H new ATOM 0 HE2 LYS A 43 9.629 -0.048 3.657 1.00 1.78 H new ATOM 0 HE3 LYS A 43 10.180 1.176 2.531 1.00 1.78 H new ATOM 0 HZ1 LYS A 43 9.167 2.616 3.846 1.00 3.22 H new ATOM 0 HZ2 LYS A 43 7.690 2.025 3.253 1.00 3.22 H new ATOM 0 HZ3 LYS A 43 8.335 1.404 4.696 1.00 3.22 H new ATOM 638 N LEU A 44 5.638 -0.626 0.093 1.00 0.19 N ATOM 639 CA LEU A 44 4.619 0.094 0.791 1.00 0.17 C ATOM 640 C LEU A 44 4.551 -0.559 2.171 1.00 0.15 C ATOM 641 O LEU A 44 4.765 -1.764 2.299 1.00 0.25 O ATOM 642 CB LEU A 44 3.363 0.020 -0.088 1.00 0.23 C ATOM 643 CG LEU A 44 2.126 -0.594 0.522 1.00 0.43 C ATOM 644 CD1 LEU A 44 1.662 0.235 1.708 1.00 0.64 C ATOM 645 CD2 LEU A 44 1.031 -0.632 -0.538 1.00 0.58 C ATOM 0 H LEU A 44 5.542 -1.636 0.194 1.00 0.19 H new ATOM 0 HA LEU A 44 4.782 1.158 0.963 1.00 0.17 H new ATOM 0 HB2 LEU A 44 3.115 1.032 -0.407 1.00 0.23 H new ATOM 0 HB3 LEU A 44 3.613 -0.545 -0.986 1.00 0.23 H new ATOM 0 HG LEU A 44 2.348 -1.603 0.869 1.00 0.43 H new ATOM 0 HD11 LEU A 44 0.769 -0.217 2.141 1.00 0.64 H new ATOM 0 HD12 LEU A 44 2.451 0.270 2.459 1.00 0.64 H new ATOM 0 HD13 LEU A 44 1.432 1.248 1.376 1.00 0.64 H new ATOM 0 HD21 LEU A 44 0.129 -1.073 -0.114 1.00 0.58 H new ATOM 0 HD22 LEU A 44 0.815 0.382 -0.875 1.00 0.58 H new ATOM 0 HD23 LEU A 44 1.365 -1.232 -1.385 1.00 0.58 H new ATOM 657 N VAL A 45 4.340 0.262 3.196 1.00 0.17 N ATOM 658 CA VAL A 45 4.220 -0.050 4.594 1.00 0.20 C ATOM 659 C VAL A 45 2.919 0.629 5.004 1.00 0.19 C ATOM 660 O VAL A 45 2.645 1.760 4.597 1.00 0.19 O ATOM 661 CB VAL A 45 5.434 0.510 5.354 1.00 0.29 C ATOM 662 CG1 VAL A 45 5.091 0.888 6.797 1.00 0.32 C ATOM 663 CG2 VAL A 45 6.558 -0.530 5.367 1.00 0.44 C ATOM 0 H VAL A 45 4.240 1.265 3.037 1.00 0.17 H new ATOM 0 HA VAL A 45 4.200 -1.118 4.812 1.00 0.20 H new ATOM 0 HB VAL A 45 5.751 1.414 4.835 1.00 0.29 H new ATOM 0 HG11 VAL A 45 5.980 1.278 7.292 1.00 0.32 H new ATOM 0 HG12 VAL A 45 4.311 1.650 6.798 1.00 0.32 H new ATOM 0 HG13 VAL A 45 4.737 0.006 7.330 1.00 0.32 H new ATOM 0 HG21 VAL A 45 7.417 -0.131 5.906 1.00 0.44 H new ATOM 0 HG22 VAL A 45 6.209 -1.437 5.861 1.00 0.44 H new ATOM 0 HG23 VAL A 45 6.849 -0.764 4.343 1.00 0.44 H new ATOM 673 N VAL A 46 2.110 -0.095 5.760 1.00 0.24 N ATOM 674 CA VAL A 46 0.811 0.336 6.234 1.00 0.19 C ATOM 675 C VAL A 46 0.784 0.064 7.730 1.00 0.19 C ATOM 676 O VAL A 46 1.059 -1.066 8.122 1.00 0.28 O ATOM 677 CB VAL A 46 -0.231 -0.485 5.458 1.00 0.36 C ATOM 678 CG1 VAL A 46 -1.457 -0.882 6.271 1.00 0.86 C ATOM 679 CG2 VAL A 46 -0.706 0.295 4.232 1.00 0.29 C ATOM 0 H VAL A 46 2.353 -1.036 6.071 1.00 0.24 H new ATOM 0 HA VAL A 46 0.601 1.394 6.075 1.00 0.19 H new ATOM 0 HB VAL A 46 0.283 -1.405 5.180 1.00 0.36 H new ATOM 0 HG11 VAL A 46 -2.138 -1.458 5.645 1.00 0.86 H new ATOM 0 HG12 VAL A 46 -1.148 -1.487 7.123 1.00 0.86 H new ATOM 0 HG13 VAL A 46 -1.963 0.015 6.628 1.00 0.86 H new ATOM 0 HG21 VAL A 46 -1.444 -0.295 3.689 1.00 0.29 H new ATOM 0 HG22 VAL A 46 -1.156 1.235 4.551 1.00 0.29 H new ATOM 0 HG23 VAL A 46 0.143 0.502 3.581 1.00 0.29 H new ATOM 689 N ASP A 47 0.425 1.062 8.538 1.00 0.16 N ATOM 690 CA ASP A 47 0.201 0.894 9.958 1.00 0.17 C ATOM 691 C ASP A 47 -1.310 0.989 10.099 1.00 0.17 C ATOM 692 O ASP A 47 -1.893 2.055 9.861 1.00 0.26 O ATOM 693 CB ASP A 47 0.928 1.969 10.769 1.00 0.26 C ATOM 694 CG ASP A 47 2.449 1.957 10.623 1.00 0.90 C ATOM 695 OD1 ASP A 47 2.990 0.964 10.089 1.00 1.84 O ATOM 696 OD2 ASP A 47 3.057 2.957 11.062 1.00 2.13 O ATOM 0 H ASP A 47 0.282 2.018 8.212 1.00 0.16 H new ATOM 0 HA ASP A 47 0.590 -0.049 10.342 1.00 0.17 H new ATOM 0 HB2 ASP A 47 0.555 2.948 10.467 1.00 0.26 H new ATOM 0 HB3 ASP A 47 0.676 1.843 11.822 1.00 0.26 H new ATOM 701 N ALA A 48 -1.949 -0.153 10.355 1.00 0.20 N ATOM 702 CA ALA A 48 -3.390 -0.290 10.263 1.00 0.33 C ATOM 703 C ALA A 48 -3.899 -1.173 11.376 1.00 0.59 C ATOM 704 O ALA A 48 -3.660 -2.381 11.387 1.00 1.05 O ATOM 705 CB ALA A 48 -3.794 -0.902 8.933 1.00 0.49 C ATOM 0 H ALA A 48 -1.472 -1.010 10.633 1.00 0.20 H new ATOM 0 HA ALA A 48 -3.825 0.706 10.346 1.00 0.33 H new ATOM 0 HB1 ALA A 48 -4.879 -0.994 8.889 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -3.451 -0.263 8.119 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -3.342 -1.889 8.834 1.00 0.49 H new ATOM 711 N ASP A 49 -4.654 -0.564 12.278 1.00 0.45 N ATOM 712 CA ASP A 49 -4.960 -1.176 13.554 1.00 0.58 C ATOM 713 C ASP A 49 -6.424 -1.600 13.528 1.00 0.52 C ATOM 714 O ASP A 49 -7.239 -1.206 14.358 1.00 0.58 O ATOM 715 CB ASP A 49 -4.548 -0.218 14.675 1.00 0.80 C ATOM 716 CG ASP A 49 -3.116 0.265 14.458 1.00 1.61 C ATOM 717 OD1 ASP A 49 -2.245 -0.602 14.239 1.00 2.57 O ATOM 718 OD2 ASP A 49 -2.918 1.499 14.423 1.00 2.43 O ATOM 0 H ASP A 49 -5.066 0.359 12.145 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.393 -2.086 13.750 1.00 0.58 H new ATOM 0 HB2 ASP A 49 -5.227 0.635 14.702 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -4.628 -0.720 15.639 1.00 0.80 H new ATOM 723 N ASN A 50 -6.720 -2.437 12.533 1.00 0.54 N ATOM 724 CA ASN A 50 -7.975 -3.152 12.368 1.00 0.53 C ATOM 725 C ASN A 50 -7.618 -4.446 11.656 1.00 0.56 C ATOM 726 O ASN A 50 -7.432 -5.469 12.307 1.00 1.21 O ATOM 727 CB ASN A 50 -8.996 -2.307 11.588 1.00 0.67 C ATOM 728 CG ASN A 50 -10.271 -3.086 11.245 1.00 1.63 C ATOM 729 OD1 ASN A 50 -11.226 -3.063 12.014 1.00 2.16 O ATOM 730 ND2 ASN A 50 -10.341 -3.763 10.095 1.00 2.48 N ATOM 0 H ASN A 50 -6.055 -2.641 11.787 1.00 0.54 H new ATOM 0 HA ASN A 50 -8.456 -3.362 13.323 1.00 0.53 H new ATOM 0 HB2 ASN A 50 -9.259 -1.428 12.177 1.00 0.67 H new ATOM 0 HB3 ASN A 50 -8.536 -1.948 10.667 1.00 0.67 H new ATOM 0 HD21 ASN A 50 -11.194 -4.266 9.851 1.00 2.48 H new ATOM 0 HD22 ASN A 50 -9.542 -3.776 9.462 1.00 2.48 H new ATOM 737 N ASP A 51 -7.462 -4.339 10.331 1.00 0.38 N ATOM 738 CA ASP A 51 -7.155 -5.357 9.342 1.00 0.40 C ATOM 739 C ASP A 51 -7.611 -4.775 8.010 1.00 0.40 C ATOM 740 O ASP A 51 -8.812 -4.609 7.795 1.00 0.79 O ATOM 741 CB ASP A 51 -7.884 -6.696 9.563 1.00 0.63 C ATOM 742 CG ASP A 51 -7.037 -7.899 9.136 1.00 0.88 C ATOM 743 OD1 ASP A 51 -5.892 -7.711 8.656 1.00 1.90 O ATOM 744 OD2 ASP A 51 -7.512 -9.041 9.284 1.00 2.16 O ATOM 0 H ASP A 51 -7.561 -3.428 9.884 1.00 0.38 H new ATOM 0 HA ASP A 51 -6.091 -5.588 9.396 1.00 0.40 H new ATOM 0 HB2 ASP A 51 -8.145 -6.795 10.617 1.00 0.63 H new ATOM 0 HB3 ASP A 51 -8.818 -6.695 9.001 1.00 0.63 H new ATOM 749 N ILE A 52 -6.672 -4.372 7.164 1.00 0.36 N ATOM 750 CA ILE A 52 -6.974 -3.863 5.829 1.00 0.36 C ATOM 751 C ILE A 52 -5.961 -4.280 4.780 1.00 0.38 C ATOM 752 O ILE A 52 -6.220 -4.045 3.615 1.00 0.24 O ATOM 753 CB ILE A 52 -7.107 -2.336 5.797 1.00 0.36 C ATOM 754 CG1 ILE A 52 -5.900 -1.639 6.431 1.00 0.39 C ATOM 755 CG2 ILE A 52 -8.414 -1.850 6.406 1.00 0.39 C ATOM 756 CD1 ILE A 52 -4.799 -1.420 5.404 1.00 0.48 C ATOM 0 H ILE A 52 -5.676 -4.388 7.383 1.00 0.36 H new ATOM 0 HA ILE A 52 -7.934 -4.317 5.583 1.00 0.36 H new ATOM 0 HB ILE A 52 -7.127 -2.057 4.744 1.00 0.36 H new ATOM 0 HG12 ILE A 52 -6.207 -0.681 6.851 1.00 0.39 H new ATOM 0 HG13 ILE A 52 -5.519 -2.241 7.256 1.00 0.39 H new ATOM 0 HG21 ILE A 52 -8.456 -0.762 6.357 1.00 0.39 H new ATOM 0 HG22 ILE A 52 -9.253 -2.271 5.851 1.00 0.39 H new ATOM 0 HG23 ILE A 52 -8.471 -2.169 7.447 1.00 0.39 H new ATOM 0 HD11 ILE A 52 -3.953 -0.923 5.878 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -4.478 -2.382 5.004 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -5.177 -0.798 4.593 1.00 0.48 H new ATOM 768 N ARG A 53 -4.813 -4.865 5.115 1.00 0.65 N ATOM 769 CA ARG A 53 -3.842 -5.286 4.107 1.00 0.46 C ATOM 770 C ARG A 53 -4.490 -6.030 2.941 1.00 0.31 C ATOM 771 O ARG A 53 -4.185 -5.742 1.793 1.00 0.22 O ATOM 772 CB ARG A 53 -2.743 -6.155 4.719 1.00 0.52 C ATOM 773 CG ARG A 53 -3.364 -7.002 5.807 1.00 0.70 C ATOM 774 CD ARG A 53 -2.676 -8.332 5.995 1.00 1.17 C ATOM 775 NE ARG A 53 -3.359 -8.985 7.129 1.00 1.49 N ATOM 776 CZ ARG A 53 -4.090 -10.102 7.109 1.00 2.26 C ATOM 777 NH1 ARG A 53 -3.790 -11.072 6.239 1.00 2.85 N ATOM 778 NH2 ARG A 53 -5.114 -10.214 7.961 1.00 2.69 N ATOM 0 H ARG A 53 -4.532 -5.058 6.076 1.00 0.65 H new ATOM 0 HA ARG A 53 -3.400 -4.369 3.717 1.00 0.46 H new ATOM 0 HB2 ARG A 53 -2.289 -6.788 3.956 1.00 0.52 H new ATOM 0 HB3 ARG A 53 -1.949 -5.531 5.129 1.00 0.52 H new ATOM 0 HG2 ARG A 53 -3.337 -6.451 6.747 1.00 0.70 H new ATOM 0 HG3 ARG A 53 -4.414 -7.174 5.569 1.00 0.70 H new ATOM 0 HD2 ARG A 53 -2.748 -8.940 5.093 1.00 1.17 H new ATOM 0 HD3 ARG A 53 -1.615 -8.197 6.204 1.00 1.17 H new ATOM 0 HE ARG A 53 -3.261 -8.529 8.036 1.00 1.49 H new ATOM 0 HH11 ARG A 53 -3.007 -10.956 5.596 1.00 2.85 H new ATOM 0 HH12 ARG A 53 -4.344 -11.928 6.218 1.00 2.85 H new ATOM 0 HH21 ARG A 53 -5.324 -9.455 8.609 1.00 2.69 H new ATOM 0 HH22 ARG A 53 -5.686 -11.059 7.963 1.00 2.69 H new ATOM 792 N ALA A 54 -5.431 -6.928 3.230 1.00 0.42 N ATOM 793 CA ALA A 54 -6.164 -7.657 2.211 1.00 0.42 C ATOM 794 C ALA A 54 -6.973 -6.695 1.322 1.00 0.31 C ATOM 795 O ALA A 54 -7.071 -6.871 0.107 1.00 0.40 O ATOM 796 CB ALA A 54 -7.002 -8.722 2.903 1.00 0.63 C ATOM 0 H ALA A 54 -5.703 -7.167 4.184 1.00 0.42 H new ATOM 0 HA ALA A 54 -5.486 -8.164 1.524 1.00 0.42 H new ATOM 0 HB1 ALA A 54 -7.563 -9.285 2.157 1.00 0.63 H new ATOM 0 HB2 ALA A 54 -6.348 -9.399 3.452 1.00 0.63 H new ATOM 0 HB3 ALA A 54 -7.696 -8.246 3.596 1.00 0.63 H new ATOM 802 N GLN A 55 -7.513 -5.631 1.923 1.00 0.28 N ATOM 803 CA GLN A 55 -8.080 -4.510 1.193 1.00 0.23 C ATOM 804 C GLN A 55 -7.015 -3.754 0.402 1.00 0.19 C ATOM 805 O GLN A 55 -7.254 -3.412 -0.748 1.00 0.21 O ATOM 806 CB GLN A 55 -8.901 -3.592 2.105 1.00 0.34 C ATOM 807 CG GLN A 55 -10.280 -4.197 2.390 1.00 0.61 C ATOM 808 CD GLN A 55 -11.086 -3.324 3.344 1.00 1.60 C ATOM 809 OE1 GLN A 55 -11.735 -2.373 2.925 1.00 3.07 O ATOM 810 NE2 GLN A 55 -11.058 -3.636 4.636 1.00 1.39 N ATOM 0 H GLN A 55 -7.566 -5.529 2.937 1.00 0.28 H new ATOM 0 HA GLN A 55 -8.777 -4.918 0.461 1.00 0.23 H new ATOM 0 HB2 GLN A 55 -8.368 -3.433 3.043 1.00 0.34 H new ATOM 0 HB3 GLN A 55 -9.018 -2.615 1.635 1.00 0.34 H new ATOM 0 HG2 GLN A 55 -10.827 -4.316 1.455 1.00 0.61 H new ATOM 0 HG3 GLN A 55 -10.161 -5.192 2.819 1.00 0.61 H new ATOM 0 HE21 GLN A 55 -10.509 -4.434 4.956 1.00 1.39 H new ATOM 0 HE22 GLN A 55 -11.586 -3.078 5.307 1.00 1.39 H new ATOM 819 N VAL A 56 -5.846 -3.492 0.982 1.00 0.17 N ATOM 820 CA VAL A 56 -4.773 -2.780 0.308 1.00 0.19 C ATOM 821 C VAL A 56 -4.368 -3.520 -0.959 1.00 0.18 C ATOM 822 O VAL A 56 -4.348 -2.937 -2.036 1.00 0.22 O ATOM 823 CB VAL A 56 -3.566 -2.592 1.202 1.00 0.24 C ATOM 824 CG1 VAL A 56 -2.413 -1.956 0.421 1.00 0.26 C ATOM 825 CG2 VAL A 56 -3.939 -1.722 2.396 1.00 0.33 C ATOM 0 H VAL A 56 -5.620 -3.770 1.937 1.00 0.17 H new ATOM 0 HA VAL A 56 -5.151 -1.791 0.050 1.00 0.19 H new ATOM 0 HB VAL A 56 -3.239 -3.568 1.561 1.00 0.24 H new ATOM 0 HG11 VAL A 56 -1.554 -1.828 1.080 1.00 0.26 H new ATOM 0 HG12 VAL A 56 -2.138 -2.602 -0.413 1.00 0.26 H new ATOM 0 HG13 VAL A 56 -2.725 -0.984 0.039 1.00 0.26 H new ATOM 0 HG21 VAL A 56 -3.067 -1.590 3.036 1.00 0.33 H new ATOM 0 HG22 VAL A 56 -4.282 -0.749 2.044 1.00 0.33 H new ATOM 0 HG23 VAL A 56 -4.735 -2.204 2.963 1.00 0.33 H new ATOM 835 N GLU A 57 -4.020 -4.800 -0.835 1.00 0.20 N ATOM 836 CA GLU A 57 -3.570 -5.599 -1.956 1.00 0.27 C ATOM 837 C GLU A 57 -4.649 -5.646 -3.032 1.00 0.28 C ATOM 838 O GLU A 57 -4.374 -5.348 -4.196 1.00 0.34 O ATOM 839 CB GLU A 57 -3.061 -6.960 -1.464 1.00 0.36 C ATOM 840 CG GLU A 57 -4.066 -7.848 -0.747 1.00 0.79 C ATOM 841 CD GLU A 57 -3.337 -8.973 -0.019 1.00 1.69 C ATOM 842 OE1 GLU A 57 -2.978 -8.751 1.158 1.00 3.15 O ATOM 843 OE2 GLU A 57 -3.124 -10.019 -0.669 1.00 2.17 O ATOM 0 H GLU A 57 -4.045 -5.306 0.050 1.00 0.20 H new ATOM 0 HA GLU A 57 -2.710 -5.140 -2.443 1.00 0.27 H new ATOM 0 HB2 GLU A 57 -2.674 -7.509 -2.323 1.00 0.36 H new ATOM 0 HB3 GLU A 57 -2.221 -6.786 -0.792 1.00 0.36 H new ATOM 0 HG2 GLU A 57 -4.644 -7.258 -0.036 1.00 0.79 H new ATOM 0 HG3 GLU A 57 -4.773 -8.265 -1.464 1.00 0.79 H new ATOM 850 N SER A 58 -5.892 -5.916 -2.626 1.00 0.28 N ATOM 851 CA SER A 58 -7.042 -5.788 -3.509 1.00 0.35 C ATOM 852 C SER A 58 -7.077 -4.399 -4.168 1.00 0.31 C ATOM 853 O SER A 58 -7.313 -4.288 -5.368 1.00 0.38 O ATOM 854 CB SER A 58 -8.329 -6.076 -2.723 1.00 0.43 C ATOM 855 OG SER A 58 -9.444 -6.159 -3.591 1.00 0.99 O ATOM 0 H SER A 58 -6.123 -6.227 -1.682 1.00 0.28 H new ATOM 0 HA SER A 58 -6.959 -6.519 -4.313 1.00 0.35 H new ATOM 0 HB2 SER A 58 -8.222 -7.010 -2.172 1.00 0.43 H new ATOM 0 HB3 SER A 58 -8.494 -5.289 -1.987 1.00 0.43 H new ATOM 0 HG SER A 58 -10.252 -6.345 -3.069 1.00 0.99 H new ATOM 861 N ALA A 59 -6.832 -3.337 -3.398 1.00 0.25 N ATOM 862 CA ALA A 59 -6.986 -1.960 -3.856 1.00 0.28 C ATOM 863 C ALA A 59 -5.929 -1.625 -4.900 1.00 0.27 C ATOM 864 O ALA A 59 -6.252 -1.113 -5.965 1.00 0.30 O ATOM 865 CB ALA A 59 -6.924 -0.976 -2.683 1.00 0.30 C ATOM 0 H ALA A 59 -6.518 -3.412 -2.430 1.00 0.25 H new ATOM 0 HA ALA A 59 -7.969 -1.865 -4.317 1.00 0.28 H new ATOM 0 HB1 ALA A 59 -7.042 0.042 -3.055 1.00 0.30 H new ATOM 0 HB2 ALA A 59 -7.725 -1.199 -1.978 1.00 0.30 H new ATOM 0 HB3 ALA A 59 -5.961 -1.069 -2.180 1.00 0.30 H new ATOM 871 N LEU A 60 -4.665 -1.918 -4.604 1.00 0.22 N ATOM 872 CA LEU A 60 -3.552 -1.741 -5.522 1.00 0.23 C ATOM 873 C LEU A 60 -3.775 -2.569 -6.782 1.00 0.26 C ATOM 874 O LEU A 60 -3.589 -2.078 -7.895 1.00 0.31 O ATOM 875 CB LEU A 60 -2.247 -2.149 -4.830 1.00 0.23 C ATOM 876 CG LEU A 60 -1.528 -0.921 -4.261 1.00 0.27 C ATOM 877 CD1 LEU A 60 -2.343 -0.243 -3.157 1.00 0.33 C ATOM 878 CD2 LEU A 60 -0.195 -1.330 -3.654 1.00 0.45 C ATOM 0 H LEU A 60 -4.384 -2.293 -3.698 1.00 0.22 H new ATOM 0 HA LEU A 60 -3.484 -0.692 -5.811 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -2.460 -2.856 -4.028 1.00 0.23 H new ATOM 0 HB3 LEU A 60 -1.597 -2.660 -5.540 1.00 0.23 H new ATOM 0 HG LEU A 60 -1.390 -0.227 -5.090 1.00 0.27 H new ATOM 0 HD11 LEU A 60 -1.797 0.623 -2.781 1.00 0.33 H new ATOM 0 HD12 LEU A 60 -3.303 0.080 -3.560 1.00 0.33 H new ATOM 0 HD13 LEU A 60 -2.510 -0.948 -2.343 1.00 0.33 H new ATOM 0 HD21 LEU A 60 0.307 -0.450 -3.253 1.00 0.45 H new ATOM 0 HD22 LEU A 60 -0.366 -2.048 -2.852 1.00 0.45 H new ATOM 0 HD23 LEU A 60 0.430 -1.786 -4.422 1.00 0.45 H new ATOM 890 N GLN A 61 -4.171 -3.828 -6.612 1.00 0.27 N ATOM 891 CA GLN A 61 -4.442 -4.704 -7.734 1.00 0.35 C ATOM 892 C GLN A 61 -5.545 -4.110 -8.613 1.00 0.41 C ATOM 893 O GLN A 61 -5.404 -4.045 -9.832 1.00 0.46 O ATOM 894 CB GLN A 61 -4.762 -6.095 -7.183 1.00 0.36 C ATOM 895 CG GLN A 61 -4.976 -7.116 -8.296 1.00 0.56 C ATOM 896 CD GLN A 61 -4.814 -8.536 -7.767 1.00 1.08 C ATOM 897 OE1 GLN A 61 -5.783 -9.270 -7.613 1.00 1.55 O ATOM 898 NE2 GLN A 61 -3.577 -8.930 -7.474 1.00 1.37 N ATOM 0 H GLN A 61 -4.310 -4.261 -5.699 1.00 0.27 H new ATOM 0 HA GLN A 61 -3.575 -4.801 -8.388 1.00 0.35 H new ATOM 0 HB2 GLN A 61 -3.947 -6.426 -6.539 1.00 0.36 H new ATOM 0 HB3 GLN A 61 -5.657 -6.042 -6.563 1.00 0.36 H new ATOM 0 HG2 GLN A 61 -5.972 -6.993 -8.722 1.00 0.56 H new ATOM 0 HG3 GLN A 61 -4.262 -6.939 -9.100 1.00 0.56 H new ATOM 0 HE21 GLN A 61 -2.792 -8.294 -7.614 1.00 1.37 H new ATOM 0 HE22 GLN A 61 -3.414 -9.868 -7.109 1.00 1.37 H new ATOM 907 N LYS A 62 -6.624 -3.637 -7.989 1.00 0.44 N ATOM 908 CA LYS A 62 -7.749 -3.015 -8.669 1.00 0.56 C ATOM 909 C LYS A 62 -7.344 -1.695 -9.338 1.00 0.60 C ATOM 910 O LYS A 62 -7.806 -1.390 -10.435 1.00 0.74 O ATOM 911 CB LYS A 62 -8.894 -2.850 -7.670 1.00 0.68 C ATOM 912 CG LYS A 62 -10.214 -2.484 -8.354 1.00 1.40 C ATOM 913 CD LYS A 62 -11.327 -2.716 -7.333 1.00 2.00 C ATOM 914 CE LYS A 62 -12.687 -2.229 -7.850 1.00 3.29 C ATOM 915 NZ LYS A 62 -13.771 -2.495 -6.881 1.00 3.79 N ATOM 0 H LYS A 62 -6.738 -3.679 -6.976 1.00 0.44 H new ATOM 0 HA LYS A 62 -8.091 -3.656 -9.481 1.00 0.56 H new ATOM 0 HB2 LYS A 62 -9.022 -3.777 -7.111 1.00 0.68 H new ATOM 0 HB3 LYS A 62 -8.635 -2.076 -6.948 1.00 0.68 H new ATOM 0 HG2 LYS A 62 -10.203 -1.445 -8.682 1.00 1.40 H new ATOM 0 HG3 LYS A 62 -10.371 -3.097 -9.241 1.00 1.40 H new ATOM 0 HD2 LYS A 62 -11.387 -3.778 -7.097 1.00 2.00 H new ATOM 0 HD3 LYS A 62 -11.084 -2.197 -6.406 1.00 2.00 H new ATOM 0 HE2 LYS A 62 -12.636 -1.159 -8.054 1.00 3.29 H new ATOM 0 HE3 LYS A 62 -12.915 -2.723 -8.795 1.00 3.29 H new ATOM 0 HZ1 LYS A 62 -14.674 -2.152 -7.267 1.00 3.79 H new ATOM 0 HZ2 LYS A 62 -13.836 -3.518 -6.705 1.00 3.79 H new ATOM 0 HZ3 LYS A 62 -13.567 -2.003 -5.988 1.00 3.79 H new ATOM 929 N ALA A 63 -6.500 -0.902 -8.671 1.00 0.51 N ATOM 930 CA ALA A 63 -5.984 0.361 -9.182 1.00 0.56 C ATOM 931 C ALA A 63 -5.111 0.120 -10.414 1.00 0.59 C ATOM 932 O ALA A 63 -5.210 0.857 -11.390 1.00 0.77 O ATOM 933 CB ALA A 63 -5.204 1.093 -8.082 1.00 0.52 C ATOM 0 H ALA A 63 -6.152 -1.130 -7.740 1.00 0.51 H new ATOM 0 HA ALA A 63 -6.820 0.992 -9.484 1.00 0.56 H new ATOM 0 HB1 ALA A 63 -4.822 2.036 -8.473 1.00 0.52 H new ATOM 0 HB2 ALA A 63 -5.865 1.291 -7.238 1.00 0.52 H new ATOM 0 HB3 ALA A 63 -4.371 0.473 -7.753 1.00 0.52 H new ATOM 939 N GLY A 64 -4.265 -0.913 -10.355 1.00 0.45 N ATOM 940 CA GLY A 64 -3.484 -1.400 -11.483 1.00 0.46 C ATOM 941 C GLY A 64 -2.011 -1.587 -11.124 1.00 0.42 C ATOM 942 O GLY A 64 -1.139 -1.137 -11.864 1.00 0.55 O ATOM 0 H GLY A 64 -4.104 -1.443 -9.498 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -3.896 -2.349 -11.826 1.00 0.46 H new ATOM 0 HA3 GLY A 64 -3.568 -0.697 -12.312 1.00 0.46 H new ATOM 946 N TYR A 65 -1.727 -2.258 -10.004 1.00 0.37 N ATOM 947 CA TYR A 65 -0.388 -2.640 -9.593 1.00 0.39 C ATOM 948 C TYR A 65 -0.317 -4.156 -9.396 1.00 0.45 C ATOM 949 O TYR A 65 -1.330 -4.853 -9.442 1.00 0.68 O ATOM 950 CB TYR A 65 -0.061 -1.901 -8.295 1.00 0.36 C ATOM 951 CG TYR A 65 0.122 -0.407 -8.461 1.00 0.33 C ATOM 952 CD1 TYR A 65 1.355 0.105 -8.905 1.00 1.77 C ATOM 953 CD2 TYR A 65 -0.950 0.470 -8.213 1.00 1.68 C ATOM 954 CE1 TYR A 65 1.527 1.489 -9.065 1.00 1.87 C ATOM 955 CE2 TYR A 65 -0.781 1.856 -8.383 1.00 1.61 C ATOM 956 CZ TYR A 65 0.462 2.365 -8.797 1.00 0.50 C ATOM 957 OH TYR A 65 0.660 3.709 -8.896 1.00 0.69 O ATOM 0 H TYR A 65 -2.447 -2.555 -9.346 1.00 0.37 H new ATOM 0 HA TYR A 65 0.341 -2.371 -10.358 1.00 0.39 H new ATOM 0 HB2 TYR A 65 -0.861 -2.080 -7.577 1.00 0.36 H new ATOM 0 HB3 TYR A 65 0.850 -2.322 -7.870 1.00 0.36 H new ATOM 0 HD1 TYR A 65 2.171 -0.568 -9.123 1.00 1.77 H new ATOM 0 HD2 TYR A 65 -1.904 0.078 -7.892 1.00 1.68 H new ATOM 0 HE1 TYR A 65 2.478 1.880 -9.394 1.00 1.87 H new ATOM 0 HE2 TYR A 65 -1.605 2.528 -8.196 1.00 1.61 H new ATOM 0 HH TYR A 65 -0.172 4.179 -8.681 1.00 0.69 H new ATOM 967 N SER A 66 0.890 -4.671 -9.159 1.00 0.39 N ATOM 968 CA SER A 66 1.150 -6.081 -8.915 1.00 0.42 C ATOM 969 C SER A 66 2.112 -6.205 -7.738 1.00 0.43 C ATOM 970 O SER A 66 3.305 -6.440 -7.926 1.00 0.66 O ATOM 971 CB SER A 66 1.699 -6.728 -10.190 1.00 0.63 C ATOM 972 OG SER A 66 0.792 -6.519 -11.256 1.00 1.60 O ATOM 0 H SER A 66 1.734 -4.099 -9.132 1.00 0.39 H new ATOM 0 HA SER A 66 0.232 -6.609 -8.656 1.00 0.42 H new ATOM 0 HB2 SER A 66 2.671 -6.301 -10.437 1.00 0.63 H new ATOM 0 HB3 SER A 66 1.851 -7.796 -10.032 1.00 0.63 H new ATOM 0 HG SER A 66 1.145 -6.932 -12.072 1.00 1.60 H new ATOM 978 N LEU A 67 1.586 -6.014 -6.525 1.00 0.32 N ATOM 979 CA LEU A 67 2.344 -6.217 -5.301 1.00 0.40 C ATOM 980 C LEU A 67 2.362 -7.669 -4.843 1.00 0.43 C ATOM 981 O LEU A 67 1.747 -8.550 -5.446 1.00 0.50 O ATOM 982 CB LEU A 67 1.895 -5.248 -4.190 1.00 0.39 C ATOM 983 CG LEU A 67 0.420 -5.301 -3.785 1.00 0.65 C ATOM 984 CD1 LEU A 67 -0.097 -6.709 -3.530 1.00 2.13 C ATOM 985 CD2 LEU A 67 0.206 -4.463 -2.526 1.00 1.90 C ATOM 0 H LEU A 67 0.623 -5.715 -6.371 1.00 0.32 H new ATOM 0 HA LEU A 67 3.381 -5.977 -5.534 1.00 0.40 H new ATOM 0 HB2 LEU A 67 2.498 -5.444 -3.304 1.00 0.39 H new ATOM 0 HB3 LEU A 67 2.123 -4.232 -4.512 1.00 0.39 H new ATOM 0 HG LEU A 67 -0.142 -4.903 -4.630 1.00 0.65 H new ATOM 0 HD11 LEU A 67 -1.149 -6.665 -3.248 1.00 2.13 H new ATOM 0 HD12 LEU A 67 0.011 -7.306 -4.436 1.00 2.13 H new ATOM 0 HD13 LEU A 67 0.476 -7.167 -2.724 1.00 2.13 H new ATOM 0 HD21 LEU A 67 -0.845 -4.501 -2.238 1.00 1.90 H new ATOM 0 HD22 LEU A 67 0.819 -4.860 -1.716 1.00 1.90 H new ATOM 0 HD23 LEU A 67 0.491 -3.430 -2.724 1.00 1.90 H new ATOM 997 N ARG A 68 3.056 -7.894 -3.730 1.00 0.41 N ATOM 998 CA ARG A 68 2.993 -9.110 -2.953 1.00 0.43 C ATOM 999 C ARG A 68 3.251 -8.736 -1.496 1.00 0.42 C ATOM 1000 O ARG A 68 4.065 -7.851 -1.230 1.00 0.45 O ATOM 1001 CB ARG A 68 4.039 -10.078 -3.503 1.00 0.54 C ATOM 1002 CG ARG A 68 4.092 -11.409 -2.746 1.00 0.77 C ATOM 1003 CD ARG A 68 3.998 -12.603 -3.705 1.00 1.21 C ATOM 1004 NE ARG A 68 2.678 -12.668 -4.360 1.00 1.96 N ATOM 1005 CZ ARG A 68 1.544 -13.109 -3.786 1.00 2.94 C ATOM 1006 NH1 ARG A 68 1.563 -13.558 -2.526 1.00 3.68 N ATOM 1007 NH2 ARG A 68 0.397 -13.095 -4.473 1.00 4.56 N ATOM 0 H ARG A 68 3.698 -7.205 -3.338 1.00 0.41 H new ATOM 0 HA ARG A 68 2.022 -9.601 -3.014 1.00 0.43 H new ATOM 0 HB2 ARG A 68 3.825 -10.274 -4.554 1.00 0.54 H new ATOM 0 HB3 ARG A 68 5.020 -9.605 -3.460 1.00 0.54 H new ATOM 0 HG2 ARG A 68 5.020 -11.469 -2.178 1.00 0.77 H new ATOM 0 HG3 ARG A 68 3.274 -11.453 -2.027 1.00 0.77 H new ATOM 0 HD2 ARG A 68 4.778 -12.525 -4.463 1.00 1.21 H new ATOM 0 HD3 ARG A 68 4.179 -13.527 -3.156 1.00 1.21 H new ATOM 0 HE ARG A 68 2.620 -12.352 -5.328 1.00 1.96 H new ATOM 0 HH11 ARG A 68 2.437 -13.566 -2.001 1.00 3.68 H new ATOM 0 HH12 ARG A 68 0.703 -13.892 -2.091 1.00 3.68 H new ATOM 0 HH21 ARG A 68 0.382 -12.750 -5.433 1.00 4.56 H new ATOM 0 HH22 ARG A 68 -0.463 -13.429 -4.037 1.00 4.56 H new ATOM 1021 N ASP A 69 2.540 -9.394 -0.578 1.00 0.48 N ATOM 1022 CA ASP A 69 2.748 -9.316 0.859 1.00 0.58 C ATOM 1023 C ASP A 69 4.223 -9.514 1.226 1.00 0.60 C ATOM 1024 O ASP A 69 4.884 -10.387 0.660 1.00 0.80 O ATOM 1025 CB ASP A 69 1.858 -10.370 1.529 1.00 0.74 C ATOM 1026 CG ASP A 69 2.126 -10.452 3.024 1.00 1.64 C ATOM 1027 OD1 ASP A 69 3.089 -11.166 3.381 1.00 2.72 O ATOM 1028 OD2 ASP A 69 1.387 -9.787 3.779 1.00 2.53 O ATOM 0 H ASP A 69 1.775 -10.019 -0.831 1.00 0.48 H new ATOM 0 HA ASP A 69 2.475 -8.323 1.215 1.00 0.58 H new ATOM 0 HB2 ASP A 69 0.810 -10.125 1.358 1.00 0.74 H new ATOM 0 HB3 ASP A 69 2.036 -11.343 1.072 1.00 0.74 H new ATOM 1033 N GLU A 70 4.709 -8.701 2.170 1.00 0.56 N ATOM 1034 CA GLU A 70 5.977 -8.892 2.854 1.00 0.60 C ATOM 1035 C GLU A 70 5.759 -8.903 4.365 1.00 0.68 C ATOM 1036 O GLU A 70 6.350 -8.115 5.103 1.00 0.74 O ATOM 1037 CB GLU A 70 6.993 -7.828 2.445 1.00 0.72 C ATOM 1038 CG GLU A 70 7.538 -8.126 1.047 1.00 0.89 C ATOM 1039 CD GLU A 70 8.816 -7.347 0.781 1.00 1.15 C ATOM 1040 OE1 GLU A 70 8.866 -6.166 1.179 1.00 1.56 O ATOM 1041 OE2 GLU A 70 9.710 -7.944 0.137 1.00 2.63 O ATOM 0 H GLU A 70 4.210 -7.869 2.483 1.00 0.56 H new ATOM 0 HA GLU A 70 6.388 -9.857 2.559 1.00 0.60 H new ATOM 0 HB2 GLU A 70 6.525 -6.844 2.458 1.00 0.72 H new ATOM 0 HB3 GLU A 70 7.812 -7.801 3.164 1.00 0.72 H new ATOM 0 HG2 GLU A 70 7.732 -9.194 0.949 1.00 0.89 H new ATOM 0 HG3 GLU A 70 6.789 -7.868 0.298 1.00 0.89 H new