USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=12 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 58 SER OG : rot 67:sc= 1.31 USER MOD Set 1.2: A 62 LYS NZ :NH3+ -165:sc= 0.88 (180deg=0) USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= 0.0488 USER MOD Set 2.2: A 18 CYS SG : rot 127:sc= 0.417 USER MOD Single : A 6 TYR OH : rot -110:sc= 0.22 USER MOD Single : A 7 SER OG : rot 180:sc= -0.633 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 56:sc= 0.672 USER MOD Single : A 13 MET CE :methyl 167:sc= -0.566 (180deg=-1.56) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 28 GLN : amide:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.53) USER MOD Single : A 34 GLN : amide:sc= -0.0572 X(o=-0.057,f=-0.057) 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 USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.131) USER MOD Single : A 50 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.0024) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 61 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0174 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 2.425 -3.027 11.956 1.00 0.48 N ATOM 34 CA ARG A 5 3.087 -2.637 10.726 1.00 0.48 C ATOM 35 C ARG A 5 2.893 -3.800 9.774 1.00 0.34 C ATOM 36 O ARG A 5 3.075 -4.952 10.161 1.00 0.55 O ATOM 37 CB ARG A 5 4.569 -2.312 10.965 1.00 0.73 C ATOM 38 CG ARG A 5 5.309 -2.008 9.650 1.00 0.77 C ATOM 39 CD ARG A 5 5.962 -3.243 9.005 1.00 0.71 C ATOM 40 NE ARG A 5 7.101 -3.726 9.805 1.00 1.22 N ATOM 41 CZ ARG A 5 8.393 -3.414 9.610 1.00 1.23 C ATOM 42 NH1 ARG A 5 8.730 -2.493 8.701 1.00 2.37 N ATOM 43 NH2 ARG A 5 9.346 -4.019 10.331 1.00 1.71 N ATOM 0 HA ARG A 5 2.665 -1.722 10.310 1.00 0.48 H new ATOM 0 HB2 ARG A 5 4.649 -1.455 11.633 1.00 0.73 H new ATOM 0 HB3 ARG A 5 5.049 -3.153 11.466 1.00 0.73 H new ATOM 0 HG2 ARG A 5 4.606 -1.569 8.942 1.00 0.77 H new ATOM 0 HG3 ARG A 5 6.078 -1.260 9.841 1.00 0.77 H new ATOM 0 HD2 ARG A 5 5.222 -4.037 8.905 1.00 0.71 H new ATOM 0 HD3 ARG A 5 6.301 -2.994 7.999 1.00 0.71 H new ATOM 0 HE ARG A 5 6.889 -4.356 10.579 1.00 1.22 H new ATOM 0 HH11 ARG A 5 8.006 -2.027 8.155 1.00 2.37 H new ATOM 0 HH12 ARG A 5 9.711 -2.257 8.554 1.00 2.37 H new ATOM 0 HH21 ARG A 5 9.091 -4.718 11.029 1.00 1.71 H new ATOM 0 HH22 ARG A 5 10.327 -3.781 10.182 1.00 1.71 H new ATOM 57 N TYR A 6 2.534 -3.502 8.535 1.00 0.39 N ATOM 58 CA TYR A 6 2.386 -4.467 7.466 1.00 0.27 C ATOM 59 C TYR A 6 3.197 -3.945 6.287 1.00 0.30 C ATOM 60 O TYR A 6 3.405 -2.737 6.218 1.00 0.57 O ATOM 61 CB TYR A 6 0.905 -4.538 7.115 1.00 0.34 C ATOM 62 CG TYR A 6 -0.047 -4.781 8.261 1.00 0.48 C ATOM 63 CD1 TYR A 6 0.234 -5.787 9.199 1.00 1.94 C ATOM 64 CD2 TYR A 6 -1.323 -4.195 8.228 1.00 1.74 C ATOM 65 CE1 TYR A 6 -0.742 -6.169 10.132 1.00 2.01 C ATOM 66 CE2 TYR A 6 -2.310 -4.599 9.140 1.00 1.77 C ATOM 67 CZ TYR A 6 -2.003 -5.553 10.129 1.00 0.79 C ATOM 68 OH TYR A 6 -2.954 -6.005 10.994 1.00 1.03 O ATOM 0 H TYR A 6 2.331 -2.547 8.240 1.00 0.39 H new ATOM 0 HA TYR A 6 2.735 -5.462 7.741 1.00 0.27 H new ATOM 0 HB2 TYR A 6 0.624 -3.603 6.630 1.00 0.34 H new ATOM 0 HB3 TYR A 6 0.766 -5.332 6.381 1.00 0.34 H new ATOM 0 HD1 TYR A 6 1.201 -6.267 9.203 1.00 1.94 H new ATOM 0 HD2 TYR A 6 -1.545 -3.431 7.498 1.00 1.74 H new ATOM 0 HE1 TYR A 6 -0.522 -6.940 10.855 1.00 2.01 H new ATOM 0 HE2 TYR A 6 -3.303 -4.179 9.083 1.00 1.77 H new ATOM 0 HH TYR A 6 -3.659 -6.466 10.493 1.00 1.03 H new ATOM 78 N SER A 7 3.681 -4.812 5.391 1.00 0.24 N ATOM 79 CA SER A 7 4.414 -4.393 4.194 1.00 0.20 C ATOM 80 C SER A 7 3.974 -5.157 2.954 1.00 0.15 C ATOM 81 O SER A 7 3.539 -6.307 3.040 1.00 0.18 O ATOM 82 CB SER A 7 5.921 -4.605 4.403 1.00 0.29 C ATOM 83 OG SER A 7 6.382 -3.799 5.465 1.00 1.59 O ATOM 0 H SER A 7 3.575 -5.823 5.476 1.00 0.24 H new ATOM 0 HA SER A 7 4.196 -3.337 4.036 1.00 0.20 H new ATOM 0 HB2 SER A 7 6.122 -5.654 4.619 1.00 0.29 H new ATOM 0 HB3 SER A 7 6.461 -4.359 3.489 1.00 0.29 H new ATOM 0 HG SER A 7 7.343 -3.943 5.591 1.00 1.59 H new ATOM 89 N TRP A 8 4.129 -4.491 1.805 1.00 0.13 N ATOM 90 CA TRP A 8 3.945 -5.051 0.482 1.00 0.14 C ATOM 91 C TRP A 8 5.119 -4.654 -0.405 1.00 0.15 C ATOM 92 O TRP A 8 5.526 -3.490 -0.399 1.00 0.16 O ATOM 93 CB TRP A 8 2.606 -4.582 -0.102 1.00 0.24 C ATOM 94 CG TRP A 8 1.463 -5.017 0.752 1.00 0.22 C ATOM 95 CD1 TRP A 8 1.046 -6.295 0.840 1.00 0.28 C ATOM 96 CD2 TRP A 8 0.778 -4.370 1.854 1.00 0.24 C ATOM 97 NE1 TRP A 8 0.373 -6.478 2.034 1.00 0.24 N ATOM 98 CE2 TRP A 8 0.535 -5.353 2.832 1.00 0.24 C ATOM 99 CE3 TRP A 8 0.295 -3.108 2.238 1.00 0.37 C ATOM 100 CZ2 TRP A 8 0.259 -4.894 4.143 1.00 0.32 C ATOM 101 CZ3 TRP A 8 -0.837 -3.144 3.103 1.00 0.39 C ATOM 102 CH2 TRP A 8 -0.708 -3.896 4.253 1.00 0.36 C ATOM 0 H TRP A 8 4.397 -3.507 1.781 1.00 0.13 H new ATOM 0 HA TRP A 8 3.917 -6.139 0.538 1.00 0.14 H new ATOM 0 HB2 TRP A 8 2.605 -3.496 -0.190 1.00 0.24 H new ATOM 0 HB3 TRP A 8 2.485 -4.983 -1.108 1.00 0.24 H new ATOM 0 HD1 TRP A 8 1.212 -7.058 0.094 1.00 0.28 H new ATOM 0 HE1 TRP A 8 -0.160 -7.310 2.289 1.00 0.24 H new ATOM 0 HE3 TRP A 8 0.745 -2.185 1.905 1.00 0.37 H new ATOM 0 HZ2 TRP A 8 0.768 -5.294 5.007 1.00 0.32 H new ATOM 0 HZ3 TRP A 8 -1.747 -2.611 2.871 1.00 0.39 H new ATOM 0 HH2 TRP A 8 -1.295 -3.729 5.144 1.00 0.36 H new ATOM 113 N LYS A 9 5.610 -5.630 -1.173 1.00 0.22 N ATOM 114 CA LYS A 9 6.627 -5.485 -2.204 1.00 0.25 C ATOM 115 C LYS A 9 5.873 -5.400 -3.519 1.00 0.34 C ATOM 116 O LYS A 9 4.882 -6.111 -3.680 1.00 0.49 O ATOM 117 CB LYS A 9 7.586 -6.692 -2.209 1.00 0.35 C ATOM 118 CG LYS A 9 6.878 -8.062 -2.258 1.00 0.74 C ATOM 119 CD LYS A 9 7.809 -9.248 -1.968 1.00 0.66 C ATOM 120 CE LYS A 9 8.395 -9.877 -3.235 1.00 1.29 C ATOM 121 NZ LYS A 9 9.221 -11.056 -2.906 1.00 1.86 N ATOM 0 H LYS A 9 5.287 -6.593 -1.083 1.00 0.22 H new ATOM 0 HA LYS A 9 7.240 -4.601 -2.032 1.00 0.25 H new ATOM 0 HB2 LYS A 9 8.252 -6.609 -3.068 1.00 0.35 H new ATOM 0 HB3 LYS A 9 8.210 -6.650 -1.316 1.00 0.35 H new ATOM 0 HG2 LYS A 9 6.063 -8.066 -1.534 1.00 0.74 H new ATOM 0 HG3 LYS A 9 6.431 -8.195 -3.243 1.00 0.74 H new ATOM 0 HD2 LYS A 9 8.624 -8.914 -1.326 1.00 0.66 H new ATOM 0 HD3 LYS A 9 7.258 -10.008 -1.414 1.00 0.66 H new ATOM 0 HE2 LYS A 9 7.588 -10.170 -3.907 1.00 1.29 H new ATOM 0 HE3 LYS A 9 9.000 -9.141 -3.765 1.00 1.29 H new ATOM 0 HZ1 LYS A 9 9.607 -11.465 -3.781 1.00 1.86 H new ATOM 0 HZ2 LYS A 9 10.003 -10.769 -2.284 1.00 1.86 H new ATOM 0 HZ3 LYS A 9 8.635 -11.766 -2.421 1.00 1.86 H new ATOM 135 N VAL A 10 6.300 -4.528 -4.431 1.00 0.57 N ATOM 136 CA VAL A 10 5.593 -4.272 -5.676 1.00 0.74 C ATOM 137 C VAL A 10 6.552 -4.234 -6.866 1.00 0.92 C ATOM 138 O VAL A 10 7.765 -4.307 -6.702 1.00 1.81 O ATOM 139 CB VAL A 10 4.776 -2.981 -5.492 1.00 0.81 C ATOM 140 CG1 VAL A 10 5.655 -1.732 -5.569 1.00 1.60 C ATOM 141 CG2 VAL A 10 3.610 -2.860 -6.470 1.00 1.74 C ATOM 0 H VAL A 10 7.152 -3.978 -4.322 1.00 0.57 H new ATOM 0 HA VAL A 10 4.905 -5.085 -5.909 1.00 0.74 H new ATOM 0 HB VAL A 10 4.353 -3.052 -4.490 1.00 0.81 H new ATOM 0 HG11 VAL A 10 5.038 -0.844 -5.434 1.00 1.60 H new ATOM 0 HG12 VAL A 10 6.412 -1.771 -4.785 1.00 1.60 H new ATOM 0 HG13 VAL A 10 6.143 -1.690 -6.543 1.00 1.60 H new ATOM 0 HG21 VAL A 10 3.076 -1.928 -6.286 1.00 1.74 H new ATOM 0 HG22 VAL A 10 3.990 -2.865 -7.492 1.00 1.74 H new ATOM 0 HG23 VAL A 10 2.930 -3.701 -6.332 1.00 1.74 H new ATOM 151 N SER A 11 5.997 -4.118 -8.073 1.00 0.53 N ATOM 152 CA SER A 11 6.733 -3.951 -9.311 1.00 0.58 C ATOM 153 C SER A 11 5.997 -2.903 -10.148 1.00 0.54 C ATOM 154 O SER A 11 5.332 -3.257 -11.120 1.00 1.03 O ATOM 155 CB SER A 11 6.794 -5.314 -10.010 1.00 0.85 C ATOM 156 OG SER A 11 5.486 -5.794 -10.258 1.00 2.77 O ATOM 0 H SER A 11 4.987 -4.139 -8.212 1.00 0.53 H new ATOM 0 HA SER A 11 7.755 -3.607 -9.150 1.00 0.58 H new ATOM 0 HB2 SER A 11 7.341 -5.226 -10.949 1.00 0.85 H new ATOM 0 HB3 SER A 11 7.339 -6.025 -9.389 1.00 0.85 H new ATOM 0 HG SER A 11 4.988 -5.131 -10.780 1.00 2.77 H new ATOM 162 N GLY A 12 6.046 -1.629 -9.744 1.00 0.48 N ATOM 163 CA GLY A 12 5.251 -0.607 -10.414 1.00 0.51 C ATOM 164 C GLY A 12 5.511 0.805 -9.885 1.00 0.59 C ATOM 165 O GLY A 12 5.782 1.711 -10.663 1.00 1.31 O ATOM 0 H GLY A 12 6.618 -1.290 -8.971 1.00 0.48 H new ATOM 0 HA2 GLY A 12 5.465 -0.632 -11.482 1.00 0.51 H new ATOM 0 HA3 GLY A 12 4.194 -0.843 -10.295 1.00 0.51 H new ATOM 169 N MET A 13 5.393 1.000 -8.569 1.00 0.43 N ATOM 170 CA MET A 13 5.499 2.305 -7.917 1.00 0.42 C ATOM 171 C MET A 13 6.826 3.022 -8.216 1.00 0.43 C ATOM 172 O MET A 13 7.871 2.658 -7.674 1.00 0.55 O ATOM 173 CB MET A 13 5.336 2.093 -6.413 1.00 0.51 C ATOM 174 CG MET A 13 3.873 1.895 -6.004 1.00 1.18 C ATOM 175 SD MET A 13 3.606 1.178 -4.360 1.00 2.00 S ATOM 176 CE MET A 13 5.093 1.727 -3.493 1.00 2.23 C ATOM 0 H MET A 13 5.217 0.238 -7.914 1.00 0.43 H new ATOM 0 HA MET A 13 4.716 2.952 -8.312 1.00 0.42 H new ATOM 0 HB2 MET A 13 5.916 1.223 -6.107 1.00 0.51 H new ATOM 0 HB3 MET A 13 5.745 2.952 -5.882 1.00 0.51 H new ATOM 0 HG2 MET A 13 3.370 2.861 -6.045 1.00 1.18 H new ATOM 0 HG3 MET A 13 3.392 1.253 -6.742 1.00 1.18 H new ATOM 0 HE1 MET A 13 4.970 1.566 -2.422 1.00 2.23 H new ATOM 0 HE2 MET A 13 5.952 1.159 -3.849 1.00 2.23 H new ATOM 0 HE3 MET A 13 5.255 2.788 -3.685 1.00 2.23 H new ATOM 186 N ASP A 14 6.761 4.080 -9.030 1.00 0.47 N ATOM 187 CA ASP A 14 7.870 4.679 -9.762 1.00 0.48 C ATOM 188 C ASP A 14 7.989 6.206 -9.606 1.00 0.45 C ATOM 189 O ASP A 14 9.085 6.736 -9.786 1.00 0.55 O ATOM 190 CB ASP A 14 7.660 4.341 -11.246 1.00 0.64 C ATOM 191 CG ASP A 14 6.310 4.826 -11.787 1.00 0.76 C ATOM 192 OD1 ASP A 14 5.426 5.182 -10.980 1.00 1.37 O ATOM 193 OD2 ASP A 14 6.163 4.882 -13.025 1.00 1.04 O ATOM 0 H ASP A 14 5.881 4.566 -9.202 1.00 0.47 H new ATOM 0 HA ASP A 14 8.795 4.272 -9.353 1.00 0.48 H new ATOM 0 HB2 ASP A 14 8.462 4.790 -11.832 1.00 0.64 H new ATOM 0 HB3 ASP A 14 7.732 3.262 -11.381 1.00 0.64 H new ATOM 198 N CYS A 15 6.901 6.913 -9.275 1.00 0.40 N ATOM 199 CA CYS A 15 6.817 8.369 -9.243 1.00 0.39 C ATOM 200 C CYS A 15 6.171 8.803 -7.934 1.00 0.32 C ATOM 201 O CYS A 15 5.376 8.062 -7.359 1.00 0.30 O ATOM 202 CB CYS A 15 5.936 8.903 -10.385 1.00 0.45 C ATOM 203 SG CYS A 15 6.210 8.080 -11.974 1.00 0.63 S ATOM 0 H CYS A 15 6.024 6.464 -9.013 1.00 0.40 H new ATOM 0 HA CYS A 15 7.828 8.763 -9.345 1.00 0.39 H new ATOM 0 HB2 CYS A 15 4.889 8.790 -10.105 1.00 0.45 H new ATOM 0 HB3 CYS A 15 6.121 9.971 -10.504 1.00 0.45 H new ATOM 0 HG CYS A 15 5.423 8.595 -12.871 1.00 0.63 H new ATOM 208 N ALA A 16 6.425 10.046 -7.520 1.00 0.31 N ATOM 209 CA ALA A 16 5.790 10.621 -6.343 1.00 0.29 C ATOM 210 C ALA A 16 4.281 10.769 -6.545 1.00 0.23 C ATOM 211 O ALA A 16 3.506 10.541 -5.621 1.00 0.21 O ATOM 212 CB ALA A 16 6.429 11.975 -6.024 1.00 0.34 C ATOM 0 H ALA A 16 7.074 10.676 -7.992 1.00 0.31 H new ATOM 0 HA ALA A 16 5.943 9.946 -5.501 1.00 0.29 H new ATOM 0 HB1 ALA A 16 5.952 12.404 -5.143 1.00 0.34 H new ATOM 0 HB2 ALA A 16 7.493 11.839 -5.831 1.00 0.34 H new ATOM 0 HB3 ALA A 16 6.297 12.648 -6.871 1.00 0.34 H new ATOM 218 N ALA A 17 3.851 11.160 -7.749 1.00 0.26 N ATOM 219 CA ALA A 17 2.432 11.277 -8.065 1.00 0.27 C ATOM 220 C ALA A 17 1.752 9.919 -7.881 1.00 0.27 C ATOM 221 O ALA A 17 0.806 9.794 -7.101 1.00 0.31 O ATOM 222 CB ALA A 17 2.253 11.808 -9.489 1.00 0.30 C ATOM 0 H ALA A 17 4.472 11.401 -8.521 1.00 0.26 H new ATOM 0 HA ALA A 17 1.961 11.988 -7.386 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.190 11.892 -9.715 1.00 0.30 H new ATOM 0 HB2 ALA A 17 2.720 12.789 -9.573 1.00 0.30 H new ATOM 0 HB3 ALA A 17 2.721 11.122 -10.195 1.00 0.30 H new ATOM 228 N CYS A 18 2.276 8.906 -8.581 1.00 0.32 N ATOM 229 CA CYS A 18 1.888 7.511 -8.448 1.00 0.32 C ATOM 230 C CYS A 18 1.817 7.149 -6.960 1.00 0.28 C ATOM 231 O CYS A 18 0.776 6.708 -6.476 1.00 0.28 O ATOM 232 CB CYS A 18 2.877 6.624 -9.232 1.00 0.39 C ATOM 233 SG CYS A 18 2.905 7.113 -10.989 1.00 0.51 S ATOM 0 H CYS A 18 3.007 9.048 -9.278 1.00 0.32 H new ATOM 0 HA CYS A 18 0.899 7.341 -8.874 1.00 0.32 H new ATOM 0 HB2 CYS A 18 3.876 6.716 -8.805 1.00 0.39 H new ATOM 0 HB3 CYS A 18 2.587 5.577 -9.143 1.00 0.39 H new ATOM 0 HG CYS A 18 4.131 7.339 -11.357 1.00 0.51 H new ATOM 238 N ALA A 19 2.902 7.391 -6.221 1.00 0.26 N ATOM 239 CA ALA A 19 2.978 7.134 -4.793 1.00 0.24 C ATOM 240 C ALA A 19 1.802 7.760 -4.044 1.00 0.18 C ATOM 241 O ALA A 19 1.084 7.058 -3.341 1.00 0.24 O ATOM 242 CB ALA A 19 4.315 7.621 -4.237 1.00 0.28 C ATOM 0 H ALA A 19 3.762 7.777 -6.610 1.00 0.26 H new ATOM 0 HA ALA A 19 2.914 6.057 -4.640 1.00 0.24 H new ATOM 0 HB1 ALA A 19 4.358 7.422 -3.166 1.00 0.28 H new ATOM 0 HB2 ALA A 19 5.130 7.096 -4.737 1.00 0.28 H new ATOM 0 HB3 ALA A 19 4.413 8.693 -4.411 1.00 0.28 H new ATOM 248 N ARG A 20 1.575 9.068 -4.192 1.00 0.21 N ATOM 249 CA ARG A 20 0.474 9.736 -3.515 1.00 0.26 C ATOM 250 C ARG A 20 -0.867 9.103 -3.888 1.00 0.23 C ATOM 251 O ARG A 20 -1.761 8.976 -3.048 1.00 0.26 O ATOM 252 CB ARG A 20 0.485 11.246 -3.792 1.00 0.38 C ATOM 253 CG ARG A 20 0.805 12.076 -2.532 1.00 0.69 C ATOM 254 CD ARG A 20 -0.185 13.227 -2.351 1.00 0.98 C ATOM 255 NE ARG A 20 -1.520 12.696 -2.031 1.00 2.44 N ATOM 256 CZ ARG A 20 -2.586 13.438 -1.697 1.00 3.38 C ATOM 257 NH1 ARG A 20 -2.476 14.769 -1.632 1.00 3.20 N ATOM 258 NH2 ARG A 20 -3.753 12.841 -1.433 1.00 5.07 N ATOM 0 H ARG A 20 2.143 9.681 -4.777 1.00 0.21 H new ATOM 0 HA ARG A 20 0.610 9.603 -2.442 1.00 0.26 H new ATOM 0 HB2 ARG A 20 1.222 11.465 -4.564 1.00 0.38 H new ATOM 0 HB3 ARG A 20 -0.486 11.547 -4.184 1.00 0.38 H new ATOM 0 HG2 ARG A 20 0.778 11.431 -1.654 1.00 0.69 H new ATOM 0 HG3 ARG A 20 1.817 12.474 -2.605 1.00 0.69 H new ATOM 0 HD2 ARG A 20 0.154 13.887 -1.553 1.00 0.98 H new ATOM 0 HD3 ARG A 20 -0.231 13.825 -3.261 1.00 0.98 H new ATOM 0 HE ARG A 20 -1.644 11.684 -2.066 1.00 2.44 H new ATOM 0 HH11 ARG A 20 -1.583 15.218 -1.836 1.00 3.20 H new ATOM 0 HH12 ARG A 20 -3.285 15.336 -1.378 1.00 3.20 H new ATOM 0 HH21 ARG A 20 -3.830 11.825 -1.486 1.00 5.07 H new ATOM 0 HH22 ARG A 20 -4.566 13.401 -1.179 1.00 5.07 H new ATOM 272 N LYS A 21 -1.019 8.717 -5.155 1.00 0.21 N ATOM 273 CA LYS A 21 -2.215 8.044 -5.627 1.00 0.22 C ATOM 274 C LYS A 21 -2.363 6.695 -4.912 1.00 0.21 C ATOM 275 O LYS A 21 -3.459 6.341 -4.482 1.00 0.26 O ATOM 276 CB LYS A 21 -2.153 7.919 -7.160 1.00 0.33 C ATOM 277 CG LYS A 21 -3.499 8.166 -7.852 1.00 0.75 C ATOM 278 CD LYS A 21 -4.463 6.983 -7.716 1.00 2.21 C ATOM 279 CE LYS A 21 -5.763 7.292 -8.474 1.00 2.49 C ATOM 280 NZ LYS A 21 -6.658 6.118 -8.550 1.00 4.13 N ATOM 0 H LYS A 21 -0.314 8.865 -5.877 1.00 0.21 H new ATOM 0 HA LYS A 21 -3.108 8.622 -5.389 1.00 0.22 H new ATOM 0 HB2 LYS A 21 -1.421 8.629 -7.545 1.00 0.33 H new ATOM 0 HB3 LYS A 21 -1.798 6.922 -7.421 1.00 0.33 H new ATOM 0 HG2 LYS A 21 -3.962 9.057 -7.428 1.00 0.75 H new ATOM 0 HG3 LYS A 21 -3.327 8.369 -8.909 1.00 0.75 H new ATOM 0 HD2 LYS A 21 -4.004 6.078 -8.114 1.00 2.21 H new ATOM 0 HD3 LYS A 21 -4.679 6.795 -6.664 1.00 2.21 H new ATOM 0 HE2 LYS A 21 -6.284 8.112 -7.980 1.00 2.49 H new ATOM 0 HE3 LYS A 21 -5.522 7.629 -9.482 1.00 2.49 H new ATOM 0 HZ1 LYS A 21 -7.522 6.373 -9.070 1.00 4.13 H new ATOM 0 HZ2 LYS A 21 -6.172 5.343 -9.045 1.00 4.13 H new ATOM 0 HZ3 LYS A 21 -6.910 5.811 -7.589 1.00 4.13 H new ATOM 294 N VAL A 22 -1.261 5.955 -4.755 1.00 0.21 N ATOM 295 CA VAL A 22 -1.238 4.666 -4.091 1.00 0.28 C ATOM 296 C VAL A 22 -1.630 4.854 -2.629 1.00 0.30 C ATOM 297 O VAL A 22 -2.574 4.215 -2.158 1.00 0.37 O ATOM 298 CB VAL A 22 0.156 4.026 -4.219 1.00 0.29 C ATOM 299 CG1 VAL A 22 0.207 2.698 -3.466 1.00 0.37 C ATOM 300 CG2 VAL A 22 0.559 3.786 -5.681 1.00 0.55 C ATOM 0 H VAL A 22 -0.346 6.249 -5.096 1.00 0.21 H new ATOM 0 HA VAL A 22 -1.953 3.992 -4.563 1.00 0.28 H new ATOM 0 HB VAL A 22 0.862 4.733 -3.783 1.00 0.29 H new ATOM 0 HG11 VAL A 22 1.200 2.260 -3.568 1.00 0.37 H new ATOM 0 HG12 VAL A 22 -0.008 2.869 -2.411 1.00 0.37 H new ATOM 0 HG13 VAL A 22 -0.535 2.016 -3.881 1.00 0.37 H new ATOM 0 HG21 VAL A 22 1.550 3.333 -5.716 1.00 0.55 H new ATOM 0 HG22 VAL A 22 -0.162 3.118 -6.152 1.00 0.55 H new ATOM 0 HG23 VAL A 22 0.575 4.736 -6.215 1.00 0.55 H new ATOM 310 N GLU A 23 -0.908 5.717 -1.898 1.00 0.31 N ATOM 311 CA GLU A 23 -1.211 5.876 -0.488 1.00 0.40 C ATOM 312 C GLU A 23 -2.650 6.331 -0.310 1.00 0.37 C ATOM 313 O GLU A 23 -3.312 5.861 0.603 1.00 0.41 O ATOM 314 CB GLU A 23 -0.238 6.764 0.299 1.00 0.52 C ATOM 315 CG GLU A 23 -0.107 8.193 -0.226 1.00 0.63 C ATOM 316 CD GLU A 23 0.198 9.206 0.869 1.00 0.85 C ATOM 317 OE1 GLU A 23 -0.683 9.379 1.745 1.00 2.33 O ATOM 318 OE2 GLU A 23 1.278 9.825 0.780 1.00 1.29 O ATOM 0 H GLU A 23 -0.142 6.290 -2.251 1.00 0.31 H new ATOM 0 HA GLU A 23 -1.077 4.888 -0.048 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -0.563 6.802 1.339 1.00 0.52 H new ATOM 0 HB3 GLU A 23 0.747 6.297 0.290 1.00 0.52 H new ATOM 0 HG2 GLU A 23 0.684 8.227 -0.975 1.00 0.63 H new ATOM 0 HG3 GLU A 23 -1.033 8.476 -0.727 1.00 0.63 H new ATOM 325 N ASN A 24 -3.160 7.198 -1.189 1.00 0.33 N ATOM 326 CA ASN A 24 -4.551 7.608 -1.129 1.00 0.36 C ATOM 327 C ASN A 24 -5.488 6.422 -1.337 1.00 0.36 C ATOM 328 O ASN A 24 -6.417 6.229 -0.556 1.00 0.41 O ATOM 329 CB ASN A 24 -4.854 8.681 -2.168 1.00 0.39 C ATOM 330 CG ASN A 24 -6.222 9.273 -1.874 1.00 1.53 C ATOM 331 OD1 ASN A 24 -7.213 8.932 -2.512 1.00 2.89 O ATOM 332 ND2 ASN A 24 -6.276 10.150 -0.876 1.00 1.80 N ATOM 0 H ASN A 24 -2.626 7.624 -1.946 1.00 0.33 H new ATOM 0 HA ASN A 24 -4.719 8.020 -0.134 1.00 0.36 H new ATOM 0 HB2 ASN A 24 -4.092 9.460 -2.140 1.00 0.39 H new ATOM 0 HB3 ASN A 24 -4.835 8.252 -3.170 1.00 0.39 H new ATOM 0 HD21 ASN A 24 -7.168 10.569 -0.613 1.00 1.80 H new ATOM 0 HD22 ASN A 24 -5.425 10.404 -0.373 1.00 1.80 H new ATOM 339 N ALA A 25 -5.242 5.644 -2.398 1.00 0.35 N ATOM 340 CA ALA A 25 -6.023 4.467 -2.760 1.00 0.39 C ATOM 341 C ALA A 25 -6.132 3.487 -1.592 1.00 0.36 C ATOM 342 O ALA A 25 -7.158 2.831 -1.428 1.00 0.43 O ATOM 343 CB ALA A 25 -5.413 3.796 -3.993 1.00 0.44 C ATOM 0 H ALA A 25 -4.472 5.825 -3.042 1.00 0.35 H new ATOM 0 HA ALA A 25 -7.036 4.787 -3.003 1.00 0.39 H new ATOM 0 HB1 ALA A 25 -6.001 2.918 -4.258 1.00 0.44 H new ATOM 0 HB2 ALA A 25 -5.414 4.498 -4.827 1.00 0.44 H new ATOM 0 HB3 ALA A 25 -4.389 3.494 -3.774 1.00 0.44 H new ATOM 349 N VAL A 26 -5.088 3.404 -0.768 1.00 0.28 N ATOM 350 CA VAL A 26 -5.123 2.644 0.473 1.00 0.25 C ATOM 351 C VAL A 26 -5.841 3.427 1.579 1.00 0.27 C ATOM 352 O VAL A 26 -6.749 2.912 2.224 1.00 0.31 O ATOM 353 CB VAL A 26 -3.686 2.235 0.837 1.00 0.29 C ATOM 354 CG1 VAL A 26 -3.531 1.803 2.292 1.00 2.16 C ATOM 355 CG2 VAL A 26 -3.276 1.113 -0.105 1.00 2.00 C ATOM 0 H VAL A 26 -4.195 3.864 -0.946 1.00 0.28 H new ATOM 0 HA VAL A 26 -5.706 1.732 0.348 1.00 0.25 H new ATOM 0 HB VAL A 26 -3.037 3.104 0.724 1.00 0.29 H new ATOM 0 HG11 VAL A 26 -2.493 1.528 2.481 1.00 2.16 H new ATOM 0 HG12 VAL A 26 -3.814 2.626 2.948 1.00 2.16 H new ATOM 0 HG13 VAL A 26 -4.175 0.946 2.488 1.00 2.16 H new ATOM 0 HG21 VAL A 26 -2.258 0.798 0.126 1.00 2.00 H new ATOM 0 HG22 VAL A 26 -3.954 0.269 0.018 1.00 2.00 H new ATOM 0 HG23 VAL A 26 -3.321 1.468 -1.135 1.00 2.00 H new ATOM 365 N ARG A 27 -5.432 4.669 1.824 1.00 0.27 N ATOM 366 CA ARG A 27 -5.868 5.464 2.965 1.00 0.30 C ATOM 367 C ARG A 27 -7.385 5.635 2.987 1.00 0.33 C ATOM 368 O ARG A 27 -7.993 5.681 4.052 1.00 0.37 O ATOM 369 CB ARG A 27 -5.140 6.807 2.927 1.00 0.30 C ATOM 370 CG ARG A 27 -5.394 7.656 4.173 1.00 0.34 C ATOM 371 CD ARG A 27 -4.362 8.788 4.203 1.00 0.49 C ATOM 372 NE ARG A 27 -4.604 9.695 5.331 1.00 0.61 N ATOM 373 CZ ARG A 27 -3.777 10.688 5.697 1.00 1.28 C ATOM 374 NH1 ARG A 27 -2.625 10.876 5.040 1.00 2.09 N ATOM 375 NH2 ARG A 27 -4.118 11.492 6.711 1.00 1.36 N ATOM 0 H ARG A 27 -4.773 5.160 1.220 1.00 0.27 H new ATOM 0 HA ARG A 27 -5.614 4.945 3.889 1.00 0.30 H new ATOM 0 HB2 ARG A 27 -4.069 6.631 2.825 1.00 0.30 H new ATOM 0 HB3 ARG A 27 -5.457 7.362 2.044 1.00 0.30 H new ATOM 0 HG2 ARG A 27 -6.405 8.064 4.155 1.00 0.34 H new ATOM 0 HG3 ARG A 27 -5.313 7.045 5.072 1.00 0.34 H new ATOM 0 HD2 ARG A 27 -3.359 8.368 4.279 1.00 0.49 H new ATOM 0 HD3 ARG A 27 -4.403 9.347 3.268 1.00 0.49 H new ATOM 0 HE ARG A 27 -5.458 9.562 5.873 1.00 0.61 H new ATOM 0 HH11 ARG A 27 -2.376 10.265 4.262 1.00 2.09 H new ATOM 0 HH12 ARG A 27 -1.997 11.630 5.318 1.00 2.09 H new ATOM 0 HH21 ARG A 27 -5.001 11.349 7.201 1.00 1.36 H new ATOM 0 HH22 ARG A 27 -3.495 12.248 6.994 1.00 1.36 H new ATOM 389 N GLN A 28 -7.997 5.706 1.805 1.00 0.36 N ATOM 390 CA GLN A 28 -9.441 5.782 1.648 1.00 0.45 C ATOM 391 C GLN A 28 -10.193 4.589 2.257 1.00 0.42 C ATOM 392 O GLN A 28 -11.410 4.674 2.381 1.00 0.51 O ATOM 393 CB GLN A 28 -9.834 6.080 0.197 1.00 0.53 C ATOM 394 CG GLN A 28 -9.424 4.941 -0.729 1.00 0.54 C ATOM 395 CD GLN A 28 -9.746 5.230 -2.190 1.00 0.65 C ATOM 396 OE1 GLN A 28 -10.489 4.493 -2.830 1.00 0.82 O ATOM 397 NE2 GLN A 28 -9.191 6.305 -2.748 1.00 0.71 N ATOM 0 H GLN A 28 -7.492 5.712 0.919 1.00 0.36 H new ATOM 0 HA GLN A 28 -9.772 6.634 2.242 1.00 0.45 H new ATOM 0 HB2 GLN A 28 -10.911 6.234 0.133 1.00 0.53 H new ATOM 0 HB3 GLN A 28 -9.360 7.006 -0.128 1.00 0.53 H new ATOM 0 HG2 GLN A 28 -8.354 4.760 -0.625 1.00 0.54 H new ATOM 0 HG3 GLN A 28 -9.933 4.027 -0.422 1.00 0.54 H new ATOM 0 HE21 GLN A 28 -8.576 6.905 -2.198 1.00 0.71 H new ATOM 0 HE22 GLN A 28 -9.381 6.528 -3.725 1.00 0.71 H new ATOM 406 N LEU A 29 -9.521 3.470 2.573 1.00 0.33 N ATOM 407 CA LEU A 29 -10.208 2.270 3.043 1.00 0.31 C ATOM 408 C LEU A 29 -10.920 2.515 4.380 1.00 0.29 C ATOM 409 O LEU A 29 -12.139 2.653 4.401 1.00 0.34 O ATOM 410 CB LEU A 29 -9.234 1.087 3.129 1.00 0.29 C ATOM 411 CG LEU A 29 -8.755 0.594 1.754 1.00 0.38 C ATOM 412 CD1 LEU A 29 -7.542 -0.316 1.961 1.00 0.38 C ATOM 413 CD2 LEU A 29 -9.852 -0.168 0.999 1.00 0.55 C ATOM 0 H LEU A 29 -8.507 3.378 2.510 1.00 0.33 H new ATOM 0 HA LEU A 29 -10.979 2.017 2.315 1.00 0.31 H new ATOM 0 HB2 LEU A 29 -8.369 1.380 3.724 1.00 0.29 H new ATOM 0 HB3 LEU A 29 -9.718 0.264 3.654 1.00 0.29 H new ATOM 0 HG LEU A 29 -8.492 1.461 1.149 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -7.188 -0.676 0.995 1.00 0.38 H new ATOM 0 HD12 LEU A 29 -6.747 0.244 2.453 1.00 0.38 H new ATOM 0 HD13 LEU A 29 -7.826 -1.165 2.582 1.00 0.38 H new ATOM 0 HD21 LEU A 29 -9.468 -0.497 0.033 1.00 0.55 H new ATOM 0 HD22 LEU A 29 -10.159 -1.036 1.582 1.00 0.55 H new ATOM 0 HD23 LEU A 29 -10.709 0.487 0.844 1.00 0.55 H new ATOM 425 N ALA A 30 -10.166 2.513 5.489 1.00 0.27 N ATOM 426 CA ALA A 30 -10.643 2.632 6.867 1.00 0.29 C ATOM 427 C ALA A 30 -9.551 2.218 7.861 1.00 0.28 C ATOM 428 O ALA A 30 -9.031 3.051 8.593 1.00 0.28 O ATOM 429 CB ALA A 30 -11.873 1.749 7.084 1.00 0.33 C ATOM 0 H ALA A 30 -9.151 2.423 5.441 1.00 0.27 H new ATOM 0 HA ALA A 30 -10.906 3.676 7.038 1.00 0.29 H new ATOM 0 HB1 ALA A 30 -12.215 1.849 8.114 1.00 0.33 H new ATOM 0 HB2 ALA A 30 -12.668 2.059 6.406 1.00 0.33 H new ATOM 0 HB3 ALA A 30 -11.613 0.709 6.887 1.00 0.33 H new ATOM 435 N GLY A 31 -9.233 0.916 7.901 1.00 0.29 N ATOM 436 CA GLY A 31 -8.291 0.296 8.836 1.00 0.29 C ATOM 437 C GLY A 31 -6.981 1.068 8.973 1.00 0.28 C ATOM 438 O GLY A 31 -6.434 1.198 10.067 1.00 0.31 O ATOM 0 H GLY A 31 -9.643 0.241 7.255 1.00 0.29 H new ATOM 0 HA2 GLY A 31 -8.762 0.216 9.816 1.00 0.29 H new ATOM 0 HA3 GLY A 31 -8.074 -0.719 8.503 1.00 0.29 H new ATOM 442 N VAL A 32 -6.443 1.489 7.826 1.00 0.27 N ATOM 443 CA VAL A 32 -5.158 2.132 7.713 1.00 0.26 C ATOM 444 C VAL A 32 -5.158 3.504 8.387 1.00 0.30 C ATOM 445 O VAL A 32 -5.971 4.363 8.058 1.00 0.38 O ATOM 446 CB VAL A 32 -4.692 2.140 6.256 1.00 0.30 C ATOM 447 CG1 VAL A 32 -5.795 2.351 5.230 1.00 0.33 C ATOM 448 CG2 VAL A 32 -3.624 3.201 6.041 1.00 0.34 C ATOM 0 H VAL A 32 -6.916 1.382 6.928 1.00 0.27 H new ATOM 0 HA VAL A 32 -4.415 1.554 8.262 1.00 0.26 H new ATOM 0 HB VAL A 32 -4.297 1.138 6.091 1.00 0.30 H new ATOM 0 HG11 VAL A 32 -5.366 2.341 4.228 1.00 0.33 H new ATOM 0 HG12 VAL A 32 -6.531 1.552 5.318 1.00 0.33 H new ATOM 0 HG13 VAL A 32 -6.279 3.311 5.408 1.00 0.33 H new ATOM 0 HG21 VAL A 32 -3.306 3.191 4.999 1.00 0.34 H new ATOM 0 HG22 VAL A 32 -4.031 4.182 6.287 1.00 0.34 H new ATOM 0 HG23 VAL A 32 -2.769 2.992 6.684 1.00 0.34 H new ATOM 458 N ASN A 33 -4.208 3.704 9.305 1.00 0.28 N ATOM 459 CA ASN A 33 -4.040 4.934 10.060 1.00 0.38 C ATOM 460 C ASN A 33 -2.915 5.748 9.446 1.00 0.36 C ATOM 461 O ASN A 33 -3.142 6.849 8.946 1.00 0.59 O ATOM 462 CB ASN A 33 -3.732 4.588 11.521 1.00 0.44 C ATOM 463 CG ASN A 33 -4.980 4.041 12.203 1.00 0.84 C ATOM 464 OD1 ASN A 33 -6.045 4.643 12.123 1.00 1.19 O ATOM 465 ND2 ASN A 33 -4.889 2.904 12.876 1.00 1.11 N ATOM 0 H ASN A 33 -3.519 2.991 9.545 1.00 0.28 H new ATOM 0 HA ASN A 33 -4.954 5.527 10.028 1.00 0.38 H new ATOM 0 HB2 ASN A 33 -2.930 3.851 11.567 1.00 0.44 H new ATOM 0 HB3 ASN A 33 -3.380 5.476 12.047 1.00 0.44 H new ATOM 0 HD21 ASN A 33 -5.712 2.517 13.337 1.00 1.11 H new ATOM 0 HD22 ASN A 33 -3.996 2.415 12.933 1.00 1.11 H new ATOM 472 N GLN A 34 -1.698 5.198 9.481 1.00 0.22 N ATOM 473 CA GLN A 34 -0.532 5.794 8.852 1.00 0.22 C ATOM 474 C GLN A 34 -0.178 4.884 7.682 1.00 0.24 C ATOM 475 O GLN A 34 -0.073 3.671 7.851 1.00 0.42 O ATOM 476 CB GLN A 34 0.609 5.926 9.875 1.00 0.27 C ATOM 477 CG GLN A 34 1.788 6.766 9.369 1.00 0.30 C ATOM 478 CD GLN A 34 1.455 8.254 9.383 1.00 0.48 C ATOM 479 OE1 GLN A 34 1.109 8.831 8.358 1.00 1.24 O ATOM 480 NE2 GLN A 34 1.541 8.886 10.550 1.00 1.81 N ATOM 0 H GLN A 34 -1.500 4.316 9.954 1.00 0.22 H new ATOM 0 HA GLN A 34 -0.720 6.805 8.490 1.00 0.22 H new ATOM 0 HB2 GLN A 34 0.218 6.375 10.788 1.00 0.27 H new ATOM 0 HB3 GLN A 34 0.968 4.931 10.138 1.00 0.27 H new ATOM 0 HG2 GLN A 34 2.663 6.581 9.992 1.00 0.30 H new ATOM 0 HG3 GLN A 34 2.048 6.459 8.356 1.00 0.30 H new ATOM 0 HE21 GLN A 34 1.832 8.378 11.385 1.00 1.81 H new ATOM 0 HE22 GLN A 34 1.316 9.879 10.610 1.00 1.81 H new ATOM 489 N VAL A 35 -0.039 5.455 6.488 1.00 0.30 N ATOM 490 CA VAL A 35 0.412 4.739 5.310 1.00 0.42 C ATOM 491 C VAL A 35 1.754 5.332 4.910 1.00 0.31 C ATOM 492 O VAL A 35 1.915 6.550 4.902 1.00 0.65 O ATOM 493 CB VAL A 35 -0.639 4.801 4.191 1.00 0.90 C ATOM 494 CG1 VAL A 35 -1.172 6.213 3.927 1.00 0.98 C ATOM 495 CG2 VAL A 35 -0.114 4.163 2.900 1.00 2.36 C ATOM 0 H VAL A 35 -0.240 6.440 6.315 1.00 0.30 H new ATOM 0 HA VAL A 35 0.541 3.677 5.516 1.00 0.42 H new ATOM 0 HB VAL A 35 -1.488 4.219 4.549 1.00 0.90 H new ATOM 0 HG11 VAL A 35 -1.909 6.180 3.125 1.00 0.98 H new ATOM 0 HG12 VAL A 35 -1.638 6.601 4.833 1.00 0.98 H new ATOM 0 HG13 VAL A 35 -0.348 6.864 3.635 1.00 0.98 H new ATOM 0 HG21 VAL A 35 -0.880 4.222 2.127 1.00 2.36 H new ATOM 0 HG22 VAL A 35 0.778 4.694 2.568 1.00 2.36 H new ATOM 0 HG23 VAL A 35 0.134 3.118 3.085 1.00 2.36 H new ATOM 505 N GLN A 36 2.714 4.463 4.604 1.00 0.26 N ATOM 506 CA GLN A 36 4.024 4.833 4.119 1.00 0.24 C ATOM 507 C GLN A 36 4.231 4.094 2.803 1.00 0.26 C ATOM 508 O GLN A 36 4.567 2.912 2.784 1.00 0.41 O ATOM 509 CB GLN A 36 5.074 4.444 5.160 1.00 0.31 C ATOM 510 CG GLN A 36 6.496 4.818 4.718 1.00 0.44 C ATOM 511 CD GLN A 36 7.510 3.887 5.368 1.00 0.91 C ATOM 512 OE1 GLN A 36 8.289 3.221 4.693 1.00 2.47 O ATOM 513 NE2 GLN A 36 7.479 3.796 6.693 1.00 0.64 N ATOM 0 H GLN A 36 2.590 3.454 4.692 1.00 0.26 H new ATOM 0 HA GLN A 36 4.114 5.907 3.954 1.00 0.24 H new ATOM 0 HB2 GLN A 36 4.847 4.939 6.105 1.00 0.31 H new ATOM 0 HB3 GLN A 36 5.022 3.371 5.342 1.00 0.31 H new ATOM 0 HG2 GLN A 36 6.576 4.754 3.633 1.00 0.44 H new ATOM 0 HG3 GLN A 36 6.711 5.851 4.993 1.00 0.44 H new ATOM 0 HE21 GLN A 36 6.820 4.362 7.228 1.00 0.64 H new ATOM 0 HE22 GLN A 36 8.114 3.160 7.175 1.00 0.64 H new ATOM 522 N VAL A 37 4.074 4.820 1.704 1.00 0.25 N ATOM 523 CA VAL A 37 4.412 4.381 0.372 1.00 0.33 C ATOM 524 C VAL A 37 5.831 4.885 0.107 1.00 0.40 C ATOM 525 O VAL A 37 6.089 6.082 0.205 1.00 0.79 O ATOM 526 CB VAL A 37 3.368 4.949 -0.607 1.00 0.63 C ATOM 527 CG1 VAL A 37 3.290 6.485 -0.643 1.00 2.85 C ATOM 528 CG2 VAL A 37 3.613 4.416 -2.017 1.00 1.94 C ATOM 0 H VAL A 37 3.693 5.766 1.725 1.00 0.25 H new ATOM 0 HA VAL A 37 4.395 3.298 0.249 1.00 0.33 H new ATOM 0 HB VAL A 37 2.406 4.606 -0.227 1.00 0.63 H new ATOM 0 HG11 VAL A 37 2.529 6.794 -1.359 1.00 2.85 H new ATOM 0 HG12 VAL A 37 3.030 6.859 0.347 1.00 2.85 H new ATOM 0 HG13 VAL A 37 4.256 6.891 -0.942 1.00 2.85 H new ATOM 0 HG21 VAL A 37 2.866 4.827 -2.696 1.00 1.94 H new ATOM 0 HG22 VAL A 37 4.608 4.711 -2.350 1.00 1.94 H new ATOM 0 HG23 VAL A 37 3.540 3.328 -2.013 1.00 1.94 H new ATOM 538 N LEU A 38 6.768 3.979 -0.177 1.00 0.30 N ATOM 539 CA LEU A 38 8.110 4.327 -0.592 1.00 0.31 C ATOM 540 C LEU A 38 8.306 3.733 -1.985 1.00 0.29 C ATOM 541 O LEU A 38 8.860 2.648 -2.169 1.00 0.29 O ATOM 542 CB LEU A 38 9.130 3.862 0.454 1.00 0.34 C ATOM 543 CG LEU A 38 10.548 4.316 0.082 1.00 0.38 C ATOM 544 CD1 LEU A 38 10.772 5.826 0.259 1.00 0.52 C ATOM 545 CD2 LEU A 38 11.573 3.573 0.945 1.00 0.42 C ATOM 0 H LEU A 38 6.605 2.974 -0.122 1.00 0.30 H new ATOM 0 HA LEU A 38 8.264 5.404 -0.658 1.00 0.31 H new ATOM 0 HB2 LEU A 38 8.861 4.262 1.432 1.00 0.34 H new ATOM 0 HB3 LEU A 38 9.102 2.775 0.536 1.00 0.34 H new ATOM 0 HG LEU A 38 10.673 4.084 -0.976 1.00 0.38 H new ATOM 0 HD11 LEU A 38 11.795 6.077 -0.022 1.00 0.52 H new ATOM 0 HD12 LEU A 38 10.076 6.374 -0.376 1.00 0.52 H new ATOM 0 HD13 LEU A 38 10.604 6.099 1.301 1.00 0.52 H new ATOM 0 HD21 LEU A 38 12.578 3.899 0.677 1.00 0.42 H new ATOM 0 HD22 LEU A 38 11.389 3.791 1.997 1.00 0.42 H new ATOM 0 HD23 LEU A 38 11.482 2.500 0.775 1.00 0.42 H new ATOM 557 N PHE A 39 7.803 4.478 -2.969 1.00 0.30 N ATOM 558 CA PHE A 39 8.006 4.190 -4.375 1.00 0.30 C ATOM 559 C PHE A 39 9.501 4.194 -4.706 1.00 0.32 C ATOM 560 O PHE A 39 10.320 4.618 -3.888 1.00 0.33 O ATOM 561 CB PHE A 39 7.244 5.226 -5.208 1.00 0.38 C ATOM 562 CG PHE A 39 7.940 6.562 -5.350 1.00 0.22 C ATOM 563 CD1 PHE A 39 7.767 7.584 -4.398 1.00 1.76 C ATOM 564 CD2 PHE A 39 8.758 6.786 -6.471 1.00 1.74 C ATOM 565 CE1 PHE A 39 8.290 8.864 -4.649 1.00 1.84 C ATOM 566 CE2 PHE A 39 9.259 8.067 -6.735 1.00 1.73 C ATOM 567 CZ PHE A 39 8.972 9.117 -5.852 1.00 0.56 C ATOM 0 H PHE A 39 7.236 5.309 -2.802 1.00 0.30 H new ATOM 0 HA PHE A 39 7.623 3.198 -4.613 1.00 0.30 H new ATOM 0 HB2 PHE A 39 7.070 4.815 -6.203 1.00 0.38 H new ATOM 0 HB3 PHE A 39 6.266 5.388 -4.755 1.00 0.38 H new ATOM 0 HD1 PHE A 39 7.235 7.386 -3.479 1.00 1.76 H new ATOM 0 HD2 PHE A 39 9.001 5.967 -7.131 1.00 1.74 H new ATOM 0 HE1 PHE A 39 8.168 9.651 -3.920 1.00 1.84 H new ATOM 0 HE2 PHE A 39 9.862 8.245 -7.613 1.00 1.73 H new ATOM 0 HZ PHE A 39 9.276 10.124 -6.097 1.00 0.56 H new ATOM 577 N ALA A 40 9.855 3.716 -5.900 1.00 0.35 N ATOM 578 CA ALA A 40 11.228 3.554 -6.368 1.00 0.36 C ATOM 579 C ALA A 40 11.904 2.403 -5.623 1.00 0.34 C ATOM 580 O ALA A 40 12.260 1.406 -6.242 1.00 0.55 O ATOM 581 CB ALA A 40 12.030 4.863 -6.313 1.00 0.41 C ATOM 0 H ALA A 40 9.166 3.421 -6.592 1.00 0.35 H new ATOM 0 HA ALA A 40 11.198 3.291 -7.425 1.00 0.36 H new ATOM 0 HB1 ALA A 40 13.043 4.684 -6.672 1.00 0.41 H new ATOM 0 HB2 ALA A 40 11.549 5.611 -6.943 1.00 0.41 H new ATOM 0 HB3 ALA A 40 12.068 5.224 -5.285 1.00 0.41 H new ATOM 587 N THR A 41 11.996 2.485 -4.292 1.00 0.32 N ATOM 588 CA THR A 41 12.437 1.389 -3.431 1.00 0.32 C ATOM 589 C THR A 41 11.260 0.422 -3.212 1.00 0.47 C ATOM 590 O THR A 41 10.907 0.106 -2.078 1.00 1.30 O ATOM 591 CB THR A 41 12.972 1.969 -2.110 1.00 0.47 C ATOM 592 OG1 THR A 41 13.769 3.115 -2.347 1.00 1.11 O ATOM 593 CG2 THR A 41 13.838 0.961 -1.350 1.00 0.76 C ATOM 0 H THR A 41 11.761 3.332 -3.775 1.00 0.32 H new ATOM 0 HA THR A 41 13.247 0.827 -3.895 1.00 0.32 H new ATOM 0 HB THR A 41 12.095 2.223 -1.515 1.00 0.47 H new ATOM 0 HG1 THR A 41 14.097 3.468 -1.493 1.00 1.11 H new ATOM 0 HG21 THR A 41 14.194 1.413 -0.424 1.00 0.76 H new ATOM 0 HG22 THR A 41 13.247 0.075 -1.118 1.00 0.76 H new ATOM 0 HG23 THR A 41 14.691 0.676 -1.966 1.00 0.76 H new ATOM 601 N GLU A 42 10.649 0.022 -4.329 1.00 0.50 N ATOM 602 CA GLU A 42 9.518 -0.868 -4.564 1.00 0.44 C ATOM 603 C GLU A 42 8.696 -1.387 -3.364 1.00 0.39 C ATOM 604 O GLU A 42 8.326 -2.566 -3.363 1.00 0.55 O ATOM 605 CB GLU A 42 10.036 -2.015 -5.441 1.00 0.64 C ATOM 606 CG GLU A 42 11.114 -2.847 -4.729 1.00 2.07 C ATOM 607 CD GLU A 42 12.501 -2.626 -5.313 1.00 3.13 C ATOM 608 OE1 GLU A 42 13.151 -1.654 -4.870 1.00 4.20 O ATOM 609 OE2 GLU A 42 12.880 -3.433 -6.188 1.00 3.62 O ATOM 0 H GLU A 42 10.994 0.372 -5.223 1.00 0.50 H new ATOM 0 HA GLU A 42 8.759 -0.249 -5.043 1.00 0.44 H new ATOM 0 HB2 GLU A 42 9.204 -2.662 -5.719 1.00 0.64 H new ATOM 0 HB3 GLU A 42 10.445 -1.607 -6.365 1.00 0.64 H new ATOM 0 HG2 GLU A 42 11.125 -2.592 -3.669 1.00 2.07 H new ATOM 0 HG3 GLU A 42 10.858 -3.904 -4.799 1.00 2.07 H new ATOM 616 N LYS A 43 8.307 -0.547 -2.392 1.00 0.33 N ATOM 617 CA LYS A 43 7.541 -1.051 -1.258 1.00 0.42 C ATOM 618 C LYS A 43 6.658 -0.020 -0.593 1.00 0.33 C ATOM 619 O LYS A 43 6.847 1.192 -0.697 1.00 0.51 O ATOM 620 CB LYS A 43 8.454 -1.728 -0.223 1.00 0.55 C ATOM 621 CG LYS A 43 9.212 -0.796 0.732 1.00 1.02 C ATOM 622 CD LYS A 43 8.361 -0.254 1.896 1.00 0.76 C ATOM 623 CE LYS A 43 9.185 -0.052 3.171 1.00 1.28 C ATOM 624 NZ LYS A 43 9.564 -1.344 3.780 1.00 2.14 N ATOM 0 H LYS A 43 8.506 0.453 -2.372 1.00 0.33 H new ATOM 0 HA LYS A 43 6.865 -1.793 -1.682 1.00 0.42 H new ATOM 0 HB2 LYS A 43 7.847 -2.409 0.374 1.00 0.55 H new ATOM 0 HB3 LYS A 43 9.184 -2.336 -0.757 1.00 0.55 H new ATOM 0 HG2 LYS A 43 10.068 -1.333 1.142 1.00 1.02 H new ATOM 0 HG3 LYS A 43 9.606 0.046 0.163 1.00 1.02 H new ATOM 0 HD2 LYS A 43 7.910 0.694 1.603 1.00 0.76 H new ATOM 0 HD3 LYS A 43 7.544 -0.946 2.099 1.00 0.76 H new ATOM 0 HE2 LYS A 43 10.084 0.519 2.938 1.00 1.28 H new ATOM 0 HE3 LYS A 43 8.611 0.535 3.888 1.00 1.28 H new ATOM 0 HZ1 LYS A 43 9.843 -1.192 4.770 1.00 2.14 H new ATOM 0 HZ2 LYS A 43 8.754 -1.995 3.745 1.00 2.14 H new ATOM 0 HZ3 LYS A 43 10.362 -1.755 3.254 1.00 2.14 H new ATOM 638 N LEU A 44 5.693 -0.549 0.146 1.00 0.22 N ATOM 639 CA LEU A 44 4.696 0.157 0.867 1.00 0.21 C ATOM 640 C LEU A 44 4.586 -0.570 2.208 1.00 0.15 C ATOM 641 O LEU A 44 4.784 -1.782 2.276 1.00 0.24 O ATOM 642 CB LEU A 44 3.519 0.032 -0.085 1.00 0.23 C ATOM 643 CG LEU A 44 2.130 0.053 0.462 1.00 0.56 C ATOM 644 CD1 LEU A 44 1.901 1.114 1.509 1.00 0.74 C ATOM 645 CD2 LEU A 44 1.243 0.279 -0.731 1.00 0.92 C ATOM 0 H LEU A 44 5.598 -1.559 0.251 1.00 0.22 H new ATOM 0 HA LEU A 44 4.839 1.207 1.124 1.00 0.21 H new ATOM 0 HB2 LEU A 44 3.597 0.842 -0.810 1.00 0.23 H new ATOM 0 HB3 LEU A 44 3.640 -0.901 -0.635 1.00 0.23 H new ATOM 0 HG LEU A 44 1.920 -0.882 0.981 1.00 0.56 H new ATOM 0 HD11 LEU A 44 0.869 1.065 1.857 1.00 0.74 H new ATOM 0 HD12 LEU A 44 2.575 0.948 2.349 1.00 0.74 H new ATOM 0 HD13 LEU A 44 2.093 2.097 1.079 1.00 0.74 H new ATOM 0 HD21 LEU A 44 0.202 0.307 -0.410 1.00 0.92 H new ATOM 0 HD22 LEU A 44 1.503 1.226 -1.203 1.00 0.92 H new ATOM 0 HD23 LEU A 44 1.381 -0.532 -1.446 1.00 0.92 H new ATOM 657 N VAL A 45 4.359 0.197 3.270 1.00 0.19 N ATOM 658 CA VAL A 45 4.221 -0.142 4.656 1.00 0.21 C ATOM 659 C VAL A 45 2.916 0.514 5.087 1.00 0.24 C ATOM 660 O VAL A 45 2.635 1.651 4.705 1.00 0.26 O ATOM 661 CB VAL A 45 5.428 0.386 5.452 1.00 0.24 C ATOM 662 CG1 VAL A 45 5.072 0.821 6.879 1.00 0.28 C ATOM 663 CG2 VAL A 45 6.457 -0.735 5.532 1.00 0.32 C ATOM 0 H VAL A 45 4.256 1.204 3.144 1.00 0.19 H new ATOM 0 HA VAL A 45 4.196 -1.217 4.833 1.00 0.21 H new ATOM 0 HB VAL A 45 5.806 1.268 4.935 1.00 0.24 H new ATOM 0 HG11 VAL A 45 5.968 1.182 7.384 1.00 0.28 H new ATOM 0 HG12 VAL A 45 4.330 1.619 6.842 1.00 0.28 H new ATOM 0 HG13 VAL A 45 4.664 -0.028 7.427 1.00 0.28 H new ATOM 0 HG21 VAL A 45 7.327 -0.391 6.092 1.00 0.32 H new ATOM 0 HG22 VAL A 45 6.018 -1.596 6.036 1.00 0.32 H new ATOM 0 HG23 VAL A 45 6.763 -1.021 4.526 1.00 0.32 H new ATOM 673 N VAL A 46 2.110 -0.217 5.843 1.00 0.30 N ATOM 674 CA VAL A 46 0.818 0.230 6.318 1.00 0.28 C ATOM 675 C VAL A 46 0.792 -0.016 7.814 1.00 0.26 C ATOM 676 O VAL A 46 1.118 -1.124 8.244 1.00 0.37 O ATOM 677 CB VAL A 46 -0.266 -0.570 5.581 1.00 0.42 C ATOM 678 CG1 VAL A 46 -1.561 -0.755 6.368 1.00 0.76 C ATOM 679 CG2 VAL A 46 -0.613 0.123 4.263 1.00 0.37 C ATOM 0 H VAL A 46 2.347 -1.161 6.148 1.00 0.30 H new ATOM 0 HA VAL A 46 0.637 1.288 6.128 1.00 0.28 H new ATOM 0 HB VAL A 46 0.163 -1.560 5.426 1.00 0.42 H new ATOM 0 HG11 VAL A 46 -2.270 -1.331 5.772 1.00 0.76 H new ATOM 0 HG12 VAL A 46 -1.350 -1.287 7.296 1.00 0.76 H new ATOM 0 HG13 VAL A 46 -1.989 0.221 6.599 1.00 0.76 H new ATOM 0 HG21 VAL A 46 -1.382 -0.448 3.743 1.00 0.37 H new ATOM 0 HG22 VAL A 46 -0.982 1.128 4.467 1.00 0.37 H new ATOM 0 HG23 VAL A 46 0.278 0.184 3.638 1.00 0.37 H new ATOM 689 N ASP A 47 0.361 0.995 8.569 1.00 0.19 N ATOM 690 CA ASP A 47 0.143 0.901 9.990 1.00 0.18 C ATOM 691 C ASP A 47 -1.361 1.081 10.157 1.00 0.19 C ATOM 692 O ASP A 47 -1.904 2.166 9.921 1.00 0.26 O ATOM 693 CB ASP A 47 0.946 1.978 10.724 1.00 0.25 C ATOM 694 CG ASP A 47 2.440 2.002 10.395 1.00 1.00 C ATOM 695 OD1 ASP A 47 2.991 0.943 10.015 1.00 2.08 O ATOM 696 OD2 ASP A 47 3.015 3.105 10.521 1.00 2.04 O ATOM 0 H ASP A 47 0.153 1.918 8.189 1.00 0.19 H new ATOM 0 HA ASP A 47 0.475 -0.046 10.414 1.00 0.18 H new ATOM 0 HB2 ASP A 47 0.521 2.953 10.487 1.00 0.25 H new ATOM 0 HB3 ASP A 47 0.827 1.831 11.798 1.00 0.25 H new ATOM 701 N ALA A 48 -2.039 -0.021 10.469 1.00 0.26 N ATOM 702 CA ALA A 48 -3.476 -0.098 10.624 1.00 0.35 C ATOM 703 C ALA A 48 -3.755 -0.668 12.005 1.00 0.59 C ATOM 704 O ALA A 48 -3.034 -1.567 12.445 1.00 0.94 O ATOM 705 CB ALA A 48 -4.054 -1.025 9.550 1.00 0.42 C ATOM 0 H ALA A 48 -1.577 -0.917 10.625 1.00 0.26 H new ATOM 0 HA ALA A 48 -3.934 0.885 10.517 1.00 0.35 H new ATOM 0 HB1 ALA A 48 -5.136 -1.085 9.665 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.815 -0.631 8.562 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -3.622 -2.020 9.658 1.00 0.42 H new ATOM 711 N ASP A 49 -4.823 -0.187 12.642 1.00 0.53 N ATOM 712 CA ASP A 49 -5.275 -0.683 13.938 1.00 0.68 C ATOM 713 C ASP A 49 -6.684 -1.231 13.736 1.00 0.69 C ATOM 714 O ASP A 49 -7.646 -0.841 14.392 1.00 0.76 O ATOM 715 CB ASP A 49 -5.190 0.397 15.028 1.00 0.81 C ATOM 716 CG ASP A 49 -3.764 0.877 15.279 1.00 1.33 C ATOM 717 OD1 ASP A 49 -3.191 1.495 14.351 1.00 2.61 O ATOM 718 OD2 ASP A 49 -3.275 0.622 16.402 1.00 1.86 O ATOM 0 H ASP A 49 -5.402 0.564 12.268 1.00 0.53 H new ATOM 0 HA ASP A 49 -4.624 -1.479 14.300 1.00 0.68 H new ATOM 0 HB2 ASP A 49 -5.808 1.247 14.739 1.00 0.81 H new ATOM 0 HB3 ASP A 49 -5.604 0.003 15.956 1.00 0.81 H new ATOM 723 N ASN A 50 -6.764 -2.176 12.800 1.00 0.63 N ATOM 724 CA ASN A 50 -7.892 -3.050 12.537 1.00 0.54 C ATOM 725 C ASN A 50 -7.266 -4.218 11.789 1.00 0.52 C ATOM 726 O ASN A 50 -6.605 -5.039 12.417 1.00 0.93 O ATOM 727 CB ASN A 50 -9.016 -2.320 11.776 1.00 0.60 C ATOM 728 CG ASN A 50 -10.226 -3.222 11.515 1.00 1.64 C ATOM 729 OD1 ASN A 50 -11.119 -3.292 12.349 1.00 2.21 O ATOM 730 ND2 ASN A 50 -10.316 -3.912 10.375 1.00 2.51 N ATOM 0 H ASN A 50 -5.986 -2.358 12.166 1.00 0.63 H new ATOM 0 HA ASN A 50 -8.405 -3.394 13.435 1.00 0.54 H new ATOM 0 HB2 ASN A 50 -9.333 -1.449 12.349 1.00 0.60 H new ATOM 0 HB3 ASN A 50 -8.628 -1.953 10.826 1.00 0.60 H new ATOM 0 HD21 ASN A 50 -11.131 -4.499 10.197 1.00 2.51 H new ATOM 0 HD22 ASN A 50 -9.570 -3.851 9.682 1.00 2.51 H new ATOM 737 N ASP A 51 -7.364 -4.213 10.457 1.00 0.46 N ATOM 738 CA ASP A 51 -6.809 -5.170 9.521 1.00 0.56 C ATOM 739 C ASP A 51 -7.435 -4.845 8.170 1.00 0.45 C ATOM 740 O ASP A 51 -8.659 -4.729 8.098 1.00 0.82 O ATOM 741 CB ASP A 51 -7.182 -6.606 9.883 1.00 0.78 C ATOM 742 CG ASP A 51 -6.318 -7.583 9.102 1.00 1.04 C ATOM 743 OD1 ASP A 51 -5.075 -7.481 9.243 1.00 2.09 O ATOM 744 OD2 ASP A 51 -6.882 -8.414 8.366 1.00 1.66 O ATOM 0 H ASP A 51 -7.878 -3.475 9.975 1.00 0.46 H new ATOM 0 HA ASP A 51 -5.721 -5.100 9.525 1.00 0.56 H new ATOM 0 HB2 ASP A 51 -7.049 -6.766 10.953 1.00 0.78 H new ATOM 0 HB3 ASP A 51 -8.235 -6.783 9.663 1.00 0.78 H new ATOM 749 N ILE A 52 -6.615 -4.611 7.146 1.00 0.35 N ATOM 750 CA ILE A 52 -7.054 -4.185 5.821 1.00 0.31 C ATOM 751 C ILE A 52 -6.031 -4.576 4.756 1.00 0.30 C ATOM 752 O ILE A 52 -6.013 -4.016 3.674 1.00 0.31 O ATOM 753 CB ILE A 52 -7.238 -2.659 5.798 1.00 0.31 C ATOM 754 CG1 ILE A 52 -6.105 -1.912 6.515 1.00 0.32 C ATOM 755 CG2 ILE A 52 -8.571 -2.211 6.367 1.00 0.35 C ATOM 756 CD1 ILE A 52 -4.856 -1.868 5.656 1.00 0.40 C ATOM 0 H ILE A 52 -5.603 -4.715 7.218 1.00 0.35 H new ATOM 0 HA ILE A 52 -8.000 -4.680 5.603 1.00 0.31 H new ATOM 0 HB ILE A 52 -7.212 -2.399 4.740 1.00 0.31 H new ATOM 0 HG12 ILE A 52 -6.425 -0.897 6.750 1.00 0.32 H new ATOM 0 HG13 ILE A 52 -5.882 -2.403 7.462 1.00 0.32 H new ATOM 0 HG21 ILE A 52 -8.639 -1.124 6.322 1.00 0.35 H new ATOM 0 HG22 ILE A 52 -9.381 -2.650 5.784 1.00 0.35 H new ATOM 0 HG23 ILE A 52 -8.652 -2.537 7.404 1.00 0.35 H new ATOM 0 HD11 ILE A 52 -4.068 -1.333 6.187 1.00 0.40 H new ATOM 0 HD12 ILE A 52 -4.525 -2.884 5.443 1.00 0.40 H new ATOM 0 HD13 ILE A 52 -5.076 -1.354 4.720 1.00 0.40 H new ATOM 768 N ARG A 53 -5.139 -5.514 5.035 1.00 0.54 N ATOM 769 CA ARG A 53 -4.002 -5.779 4.145 1.00 0.42 C ATOM 770 C ARG A 53 -4.509 -6.392 2.851 1.00 0.32 C ATOM 771 O ARG A 53 -4.167 -5.971 1.750 1.00 0.28 O ATOM 772 CB ARG A 53 -2.950 -6.691 4.789 1.00 0.48 C ATOM 773 CG ARG A 53 -3.147 -6.762 6.295 1.00 0.54 C ATOM 774 CD ARG A 53 -2.050 -7.518 7.010 1.00 1.06 C ATOM 775 NE ARG A 53 -2.665 -7.989 8.265 1.00 1.48 N ATOM 776 CZ ARG A 53 -2.500 -9.117 8.956 1.00 1.98 C ATOM 777 NH1 ARG A 53 -1.491 -9.946 8.687 1.00 2.30 N ATOM 778 NH2 ARG A 53 -3.392 -9.386 9.911 1.00 2.37 N ATOM 0 H ARG A 53 -5.173 -6.106 5.865 1.00 0.54 H new ATOM 0 HA ARG A 53 -3.510 -4.828 3.942 1.00 0.42 H new ATOM 0 HB2 ARG A 53 -3.018 -7.691 4.361 1.00 0.48 H new ATOM 0 HB3 ARG A 53 -1.951 -6.316 4.566 1.00 0.48 H new ATOM 0 HG2 ARG A 53 -3.200 -5.749 6.695 1.00 0.54 H new ATOM 0 HG3 ARG A 53 -4.104 -7.239 6.507 1.00 0.54 H new ATOM 0 HD2 ARG A 53 -1.690 -8.353 6.409 1.00 1.06 H new ATOM 0 HD3 ARG A 53 -1.192 -6.875 7.208 1.00 1.06 H new ATOM 0 HE ARG A 53 -3.334 -7.338 8.676 1.00 1.48 H new ATOM 0 HH11 ARG A 53 -0.831 -9.721 7.943 1.00 2.30 H new ATOM 0 HH12 ARG A 53 -1.379 -10.805 9.226 1.00 2.30 H new ATOM 0 HH21 ARG A 53 -4.161 -8.740 10.087 1.00 2.37 H new ATOM 0 HH22 ARG A 53 -3.305 -10.238 10.465 1.00 2.37 H new ATOM 792 N ALA A 54 -5.392 -7.372 3.015 1.00 0.37 N ATOM 793 CA ALA A 54 -6.094 -7.979 1.907 1.00 0.34 C ATOM 794 C ALA A 54 -7.036 -6.976 1.218 1.00 0.32 C ATOM 795 O ALA A 54 -7.451 -7.201 0.087 1.00 0.63 O ATOM 796 CB ALA A 54 -6.767 -9.259 2.384 1.00 0.50 C ATOM 0 H ALA A 54 -5.636 -7.763 3.925 1.00 0.37 H new ATOM 0 HA ALA A 54 -5.391 -8.265 1.125 1.00 0.34 H new ATOM 0 HB1 ALA A 54 -7.299 -9.722 1.553 1.00 0.50 H new ATOM 0 HB2 ALA A 54 -6.012 -9.949 2.761 1.00 0.50 H new ATOM 0 HB3 ALA A 54 -7.473 -9.024 3.180 1.00 0.50 H new ATOM 802 N GLN A 55 -7.369 -5.855 1.873 1.00 0.23 N ATOM 803 CA GLN A 55 -7.997 -4.724 1.201 1.00 0.20 C ATOM 804 C GLN A 55 -6.961 -3.917 0.408 1.00 0.20 C ATOM 805 O GLN A 55 -7.199 -3.606 -0.754 1.00 0.23 O ATOM 806 CB GLN A 55 -8.815 -3.872 2.180 1.00 0.27 C ATOM 807 CG GLN A 55 -10.195 -4.486 2.435 1.00 0.68 C ATOM 808 CD GLN A 55 -10.884 -3.800 3.611 1.00 1.33 C ATOM 809 OE1 GLN A 55 -11.234 -2.627 3.536 1.00 2.85 O ATOM 810 NE2 GLN A 55 -11.067 -4.514 4.718 1.00 1.02 N ATOM 0 H GLN A 55 -7.211 -5.714 2.871 1.00 0.23 H new ATOM 0 HA GLN A 55 -8.713 -5.106 0.473 1.00 0.20 H new ATOM 0 HB2 GLN A 55 -8.276 -3.780 3.123 1.00 0.27 H new ATOM 0 HB3 GLN A 55 -8.931 -2.865 1.779 1.00 0.27 H new ATOM 0 HG2 GLN A 55 -10.811 -4.391 1.541 1.00 0.68 H new ATOM 0 HG3 GLN A 55 -10.092 -5.552 2.639 1.00 0.68 H new ATOM 0 HE21 GLN A 55 -10.766 -5.488 4.752 1.00 1.02 H new ATOM 0 HE22 GLN A 55 -11.508 -4.088 5.533 1.00 1.02 H new ATOM 819 N VAL A 56 -5.814 -3.590 1.009 1.00 0.19 N ATOM 820 CA VAL A 56 -4.741 -2.820 0.392 1.00 0.20 C ATOM 821 C VAL A 56 -4.330 -3.457 -0.923 1.00 0.18 C ATOM 822 O VAL A 56 -4.263 -2.795 -1.956 1.00 0.21 O ATOM 823 CB VAL A 56 -3.520 -2.731 1.299 1.00 0.29 C ATOM 824 CG1 VAL A 56 -2.304 -2.167 0.543 1.00 0.36 C ATOM 825 CG2 VAL A 56 -3.842 -1.861 2.511 1.00 0.40 C ATOM 0 H VAL A 56 -5.604 -3.865 1.969 1.00 0.19 H new ATOM 0 HA VAL A 56 -5.121 -1.813 0.220 1.00 0.20 H new ATOM 0 HB VAL A 56 -3.266 -3.737 1.634 1.00 0.29 H new ATOM 0 HG11 VAL A 56 -1.449 -2.116 1.217 1.00 0.36 H new ATOM 0 HG12 VAL A 56 -2.065 -2.818 -0.298 1.00 0.36 H new ATOM 0 HG13 VAL A 56 -2.536 -1.168 0.174 1.00 0.36 H new ATOM 0 HG21 VAL A 56 -2.967 -1.799 3.158 1.00 0.40 H new ATOM 0 HG22 VAL A 56 -4.118 -0.861 2.178 1.00 0.40 H new ATOM 0 HG23 VAL A 56 -4.672 -2.301 3.064 1.00 0.40 H new ATOM 835 N GLU A 57 -4.009 -4.747 -0.855 1.00 0.19 N ATOM 836 CA GLU A 57 -3.455 -5.474 -1.978 1.00 0.24 C ATOM 837 C GLU A 57 -4.418 -5.374 -3.150 1.00 0.32 C ATOM 838 O GLU A 57 -4.042 -4.967 -4.246 1.00 0.39 O ATOM 839 CB GLU A 57 -3.107 -6.892 -1.523 1.00 0.36 C ATOM 840 CG GLU A 57 -4.298 -7.804 -1.214 1.00 0.94 C ATOM 841 CD GLU A 57 -4.933 -8.447 -2.456 1.00 2.36 C ATOM 842 OE1 GLU A 57 -4.151 -9.007 -3.252 1.00 2.99 O ATOM 843 OE2 GLU A 57 -6.174 -8.335 -2.613 1.00 3.92 O ATOM 0 H GLU A 57 -4.129 -5.312 -0.015 1.00 0.19 H new ATOM 0 HA GLU A 57 -2.518 -5.047 -2.337 1.00 0.24 H new ATOM 0 HB2 GLU A 57 -2.504 -7.364 -2.298 1.00 0.36 H new ATOM 0 HB3 GLU A 57 -2.484 -6.825 -0.631 1.00 0.36 H new ATOM 0 HG2 GLU A 57 -3.972 -8.593 -0.536 1.00 0.94 H new ATOM 0 HG3 GLU A 57 -5.058 -7.226 -0.688 1.00 0.94 H new ATOM 850 N SER A 58 -5.689 -5.631 -2.864 1.00 0.38 N ATOM 851 CA SER A 58 -6.768 -5.491 -3.806 1.00 0.45 C ATOM 852 C SER A 58 -6.854 -4.051 -4.284 1.00 0.42 C ATOM 853 O SER A 58 -7.013 -3.816 -5.473 1.00 0.53 O ATOM 854 CB SER A 58 -8.075 -5.978 -3.172 1.00 0.47 C ATOM 855 OG SER A 58 -8.440 -7.188 -3.809 1.00 1.25 O ATOM 0 H SER A 58 -5.994 -5.950 -1.945 1.00 0.38 H new ATOM 0 HA SER A 58 -6.582 -6.111 -4.683 1.00 0.45 H new ATOM 0 HB2 SER A 58 -7.945 -6.134 -2.101 1.00 0.47 H new ATOM 0 HB3 SER A 58 -8.860 -5.231 -3.292 1.00 0.47 H new ATOM 0 HG SER A 58 -7.789 -7.885 -3.585 1.00 1.25 H new ATOM 861 N ALA A 59 -6.755 -3.076 -3.383 1.00 0.35 N ATOM 862 CA ALA A 59 -6.897 -1.672 -3.756 1.00 0.41 C ATOM 863 C ALA A 59 -5.860 -1.323 -4.821 1.00 0.36 C ATOM 864 O ALA A 59 -6.177 -0.756 -5.864 1.00 0.42 O ATOM 865 CB ALA A 59 -6.765 -0.769 -2.526 1.00 0.44 C ATOM 0 H ALA A 59 -6.577 -3.233 -2.391 1.00 0.35 H new ATOM 0 HA ALA A 59 -7.891 -1.506 -4.172 1.00 0.41 H new ATOM 0 HB1 ALA A 59 -6.874 0.273 -2.826 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -7.542 -1.022 -1.804 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -5.785 -0.915 -2.071 1.00 0.44 H new ATOM 871 N LEU A 60 -4.616 -1.716 -4.565 1.00 0.25 N ATOM 872 CA LEU A 60 -3.488 -1.523 -5.460 1.00 0.23 C ATOM 873 C LEU A 60 -3.641 -2.331 -6.745 1.00 0.26 C ATOM 874 O LEU A 60 -3.370 -1.837 -7.838 1.00 0.29 O ATOM 875 CB LEU A 60 -2.213 -1.882 -4.692 1.00 0.22 C ATOM 876 CG LEU A 60 -1.619 -0.605 -4.090 1.00 0.30 C ATOM 877 CD1 LEU A 60 -2.610 0.203 -3.249 1.00 0.49 C ATOM 878 CD2 LEU A 60 -0.443 -0.885 -3.167 1.00 0.59 C ATOM 0 H LEU A 60 -4.361 -2.193 -3.700 1.00 0.25 H new ATOM 0 HA LEU A 60 -3.437 -0.482 -5.780 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -2.438 -2.601 -3.904 1.00 0.22 H new ATOM 0 HB3 LEU A 60 -1.492 -2.355 -5.359 1.00 0.22 H new ATOM 0 HG LEU A 60 -1.316 -0.039 -4.971 1.00 0.30 H new ATOM 0 HD11 LEU A 60 -2.115 1.092 -2.857 1.00 0.49 H new ATOM 0 HD12 LEU A 60 -3.455 0.502 -3.870 1.00 0.49 H new ATOM 0 HD13 LEU A 60 -2.967 -0.408 -2.420 1.00 0.49 H new ATOM 0 HD21 LEU A 60 -0.061 0.055 -2.769 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.769 -1.522 -2.345 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.346 -1.389 -3.725 1.00 0.59 H new ATOM 890 N GLN A 61 -4.082 -3.577 -6.628 1.00 0.28 N ATOM 891 CA GLN A 61 -4.310 -4.442 -7.766 1.00 0.34 C ATOM 892 C GLN A 61 -5.356 -3.821 -8.698 1.00 0.40 C ATOM 893 O GLN A 61 -5.156 -3.776 -9.908 1.00 0.44 O ATOM 894 CB GLN A 61 -4.704 -5.820 -7.234 1.00 0.38 C ATOM 895 CG GLN A 61 -4.856 -6.862 -8.337 1.00 0.52 C ATOM 896 CD GLN A 61 -4.989 -8.252 -7.726 1.00 1.10 C ATOM 897 OE1 GLN A 61 -6.057 -8.853 -7.761 1.00 1.54 O ATOM 898 NE2 GLN A 61 -3.905 -8.752 -7.141 1.00 1.49 N ATOM 0 H GLN A 61 -4.292 -4.014 -5.731 1.00 0.28 H new ATOM 0 HA GLN A 61 -3.410 -4.559 -8.370 1.00 0.34 H new ATOM 0 HB2 GLN A 61 -3.950 -6.158 -6.523 1.00 0.38 H new ATOM 0 HB3 GLN A 61 -5.643 -5.738 -6.687 1.00 0.38 H new ATOM 0 HG2 GLN A 61 -5.733 -6.637 -8.943 1.00 0.52 H new ATOM 0 HG3 GLN A 61 -3.993 -6.829 -9.001 1.00 0.52 H new ATOM 0 HE21 GLN A 61 -3.036 -8.218 -7.135 1.00 1.49 H new ATOM 0 HE22 GLN A 61 -3.942 -9.670 -6.698 1.00 1.49 H new ATOM 907 N LYS A 62 -6.449 -3.302 -8.131 1.00 0.42 N ATOM 908 CA LYS A 62 -7.466 -2.586 -8.891 1.00 0.51 C ATOM 909 C LYS A 62 -6.889 -1.282 -9.455 1.00 0.51 C ATOM 910 O LYS A 62 -7.134 -0.956 -10.614 1.00 0.61 O ATOM 911 CB LYS A 62 -8.728 -2.323 -8.044 1.00 0.60 C ATOM 912 CG LYS A 62 -9.723 -3.502 -7.989 1.00 0.88 C ATOM 913 CD LYS A 62 -9.401 -4.525 -6.890 1.00 1.74 C ATOM 914 CE LYS A 62 -10.393 -5.697 -6.848 1.00 2.59 C ATOM 915 NZ LYS A 62 -10.339 -6.449 -5.568 1.00 3.74 N ATOM 0 H LYS A 62 -6.649 -3.369 -7.133 1.00 0.42 H new ATOM 0 HA LYS A 62 -7.770 -3.216 -9.727 1.00 0.51 H new ATOM 0 HB2 LYS A 62 -8.422 -2.075 -7.028 1.00 0.60 H new ATOM 0 HB3 LYS A 62 -9.242 -1.449 -8.444 1.00 0.60 H new ATOM 0 HG2 LYS A 62 -10.728 -3.112 -7.828 1.00 0.88 H new ATOM 0 HG3 LYS A 62 -9.729 -4.008 -8.955 1.00 0.88 H new ATOM 0 HD2 LYS A 62 -8.395 -4.914 -7.047 1.00 1.74 H new ATOM 0 HD3 LYS A 62 -9.401 -4.022 -5.923 1.00 1.74 H new ATOM 0 HE2 LYS A 62 -11.404 -5.318 -6.999 1.00 2.59 H new ATOM 0 HE3 LYS A 62 -10.181 -6.377 -7.673 1.00 2.59 H new ATOM 0 HZ1 LYS A 62 -10.827 -7.361 -5.680 1.00 3.74 H new ATOM 0 HZ2 LYS A 62 -9.347 -6.617 -5.306 1.00 3.74 H new ATOM 0 HZ3 LYS A 62 -10.806 -5.896 -4.821 1.00 3.74 H new ATOM 929 N ALA A 63 -6.135 -0.523 -8.650 1.00 0.45 N ATOM 930 CA ALA A 63 -5.507 0.718 -9.094 1.00 0.48 C ATOM 931 C ALA A 63 -4.588 0.481 -10.297 1.00 0.48 C ATOM 932 O ALA A 63 -4.536 1.314 -11.198 1.00 0.56 O ATOM 933 CB ALA A 63 -4.743 1.376 -7.941 1.00 0.46 C ATOM 0 H ALA A 63 -5.946 -0.755 -7.675 1.00 0.45 H new ATOM 0 HA ALA A 63 -6.297 1.397 -9.415 1.00 0.48 H new ATOM 0 HB1 ALA A 63 -4.282 2.300 -8.291 1.00 0.46 H new ATOM 0 HB2 ALA A 63 -5.434 1.600 -7.128 1.00 0.46 H new ATOM 0 HB3 ALA A 63 -3.969 0.697 -7.583 1.00 0.46 H new ATOM 939 N GLY A 64 -3.877 -0.650 -10.302 1.00 0.45 N ATOM 940 CA GLY A 64 -3.113 -1.147 -11.439 1.00 0.48 C ATOM 941 C GLY A 64 -1.670 -1.474 -11.066 1.00 0.39 C ATOM 942 O GLY A 64 -0.753 -1.166 -11.824 1.00 0.48 O ATOM 0 H GLY A 64 -3.818 -1.261 -9.487 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -3.595 -2.040 -11.836 1.00 0.48 H new ATOM 0 HA3 GLY A 64 -3.121 -0.401 -12.234 1.00 0.48 H new ATOM 946 N TYR A 65 -1.463 -2.103 -9.907 1.00 0.27 N ATOM 947 CA TYR A 65 -0.178 -2.593 -9.447 1.00 0.25 C ATOM 948 C TYR A 65 -0.226 -4.118 -9.347 1.00 0.38 C ATOM 949 O TYR A 65 -1.215 -4.751 -9.717 1.00 0.82 O ATOM 950 CB TYR A 65 0.134 -1.928 -8.107 1.00 0.27 C ATOM 951 CG TYR A 65 0.280 -0.422 -8.210 1.00 0.32 C ATOM 952 CD1 TYR A 65 1.404 0.124 -8.856 1.00 1.79 C ATOM 953 CD2 TYR A 65 -0.779 0.420 -7.829 1.00 1.67 C ATOM 954 CE1 TYR A 65 1.456 1.498 -9.149 1.00 1.84 C ATOM 955 CE2 TYR A 65 -0.734 1.790 -8.127 1.00 1.64 C ATOM 956 CZ TYR A 65 0.371 2.326 -8.807 1.00 0.48 C ATOM 957 OH TYR A 65 0.384 3.648 -9.135 1.00 0.62 O ATOM 0 H TYR A 65 -2.217 -2.288 -9.246 1.00 0.27 H new ATOM 0 HA TYR A 65 0.620 -2.342 -10.146 1.00 0.25 H new ATOM 0 HB2 TYR A 65 -0.660 -2.162 -7.398 1.00 0.27 H new ATOM 0 HB3 TYR A 65 1.055 -2.350 -7.705 1.00 0.27 H new ATOM 0 HD1 TYR A 65 2.231 -0.515 -9.128 1.00 1.79 H new ATOM 0 HD2 TYR A 65 -1.630 0.011 -7.305 1.00 1.67 H new ATOM 0 HE1 TYR A 65 2.325 1.916 -9.635 1.00 1.84 H new ATOM 0 HE2 TYR A 65 -1.550 2.433 -7.833 1.00 1.64 H new ATOM 0 HH TYR A 65 -0.444 4.070 -8.824 1.00 0.62 H new ATOM 967 N SER A 66 0.858 -4.735 -8.880 1.00 0.39 N ATOM 968 CA SER A 66 0.930 -6.174 -8.706 1.00 0.54 C ATOM 969 C SER A 66 1.814 -6.437 -7.499 1.00 0.53 C ATOM 970 O SER A 66 2.945 -6.896 -7.640 1.00 0.74 O ATOM 971 CB SER A 66 1.459 -6.825 -9.989 1.00 0.78 C ATOM 972 OG SER A 66 0.597 -6.513 -11.069 1.00 1.66 O ATOM 0 H SER A 66 1.711 -4.244 -8.612 1.00 0.39 H new ATOM 0 HA SER A 66 -0.051 -6.614 -8.525 1.00 0.54 H new ATOM 0 HB2 SER A 66 2.467 -6.469 -10.201 1.00 0.78 H new ATOM 0 HB3 SER A 66 1.522 -7.906 -9.861 1.00 0.78 H new ATOM 0 HG SER A 66 0.937 -6.928 -11.889 1.00 1.66 H new ATOM 978 N LEU A 67 1.306 -6.096 -6.312 1.00 0.36 N ATOM 979 CA LEU A 67 2.091 -6.251 -5.103 1.00 0.30 C ATOM 980 C LEU A 67 2.082 -7.691 -4.623 1.00 0.30 C ATOM 981 O LEU A 67 1.375 -8.537 -5.173 1.00 0.35 O ATOM 982 CB LEU A 67 1.669 -5.236 -4.033 1.00 0.30 C ATOM 983 CG LEU A 67 0.313 -5.460 -3.350 1.00 0.47 C ATOM 984 CD1 LEU A 67 0.306 -6.703 -2.469 1.00 1.98 C ATOM 985 CD2 LEU A 67 0.055 -4.233 -2.477 1.00 2.01 C ATOM 0 H LEU A 67 0.369 -5.718 -6.171 1.00 0.36 H new ATOM 0 HA LEU A 67 3.132 -6.023 -5.331 1.00 0.30 H new ATOM 0 HB2 LEU A 67 2.438 -5.220 -3.261 1.00 0.30 H new ATOM 0 HB3 LEU A 67 1.657 -4.247 -4.491 1.00 0.30 H new ATOM 0 HG LEU A 67 -0.454 -5.604 -4.111 1.00 0.47 H new ATOM 0 HD11 LEU A 67 -0.675 -6.817 -2.009 1.00 1.98 H new ATOM 0 HD12 LEU A 67 0.526 -7.581 -3.077 1.00 1.98 H new ATOM 0 HD13 LEU A 67 1.062 -6.602 -1.691 1.00 1.98 H new ATOM 0 HD21 LEU A 67 -0.902 -4.344 -1.967 1.00 2.01 H new ATOM 0 HD22 LEU A 67 0.851 -4.138 -1.738 1.00 2.01 H new ATOM 0 HD23 LEU A 67 0.032 -3.340 -3.102 1.00 2.01 H new ATOM 997 N ARG A 68 2.844 -7.956 -3.563 1.00 0.30 N ATOM 998 CA ARG A 68 2.670 -9.169 -2.797 1.00 0.34 C ATOM 999 C ARG A 68 2.914 -8.869 -1.320 1.00 0.30 C ATOM 1000 O ARG A 68 3.784 -8.061 -0.993 1.00 0.28 O ATOM 1001 CB ARG A 68 3.576 -10.281 -3.349 1.00 0.49 C ATOM 1002 CG ARG A 68 3.168 -11.615 -2.713 1.00 0.72 C ATOM 1003 CD ARG A 68 3.011 -12.784 -3.702 1.00 1.09 C ATOM 1004 NE ARG A 68 1.994 -13.754 -3.247 1.00 1.99 N ATOM 1005 CZ ARG A 68 1.913 -14.293 -2.016 1.00 3.12 C ATOM 1006 NH1 ARG A 68 2.944 -14.196 -1.176 1.00 4.19 N ATOM 1007 NH2 ARG A 68 0.799 -14.925 -1.631 1.00 4.27 N ATOM 0 H ARG A 68 3.584 -7.342 -3.223 1.00 0.30 H new ATOM 0 HA ARG A 68 1.648 -9.536 -2.889 1.00 0.34 H new ATOM 0 HB2 ARG A 68 3.486 -10.337 -4.434 1.00 0.49 H new ATOM 0 HB3 ARG A 68 4.620 -10.061 -3.127 1.00 0.49 H new ATOM 0 HG2 ARG A 68 3.914 -11.888 -1.966 1.00 0.72 H new ATOM 0 HG3 ARG A 68 2.225 -11.476 -2.185 1.00 0.72 H new ATOM 0 HD2 ARG A 68 2.731 -12.396 -4.682 1.00 1.09 H new ATOM 0 HD3 ARG A 68 3.969 -13.290 -3.821 1.00 1.09 H new ATOM 0 HE ARG A 68 1.290 -14.041 -3.927 1.00 1.99 H new ATOM 0 HH11 ARG A 68 3.794 -13.713 -1.466 1.00 4.19 H new ATOM 0 HH12 ARG A 68 2.882 -14.604 -0.243 1.00 4.19 H new ATOM 0 HH21 ARG A 68 0.008 -15.000 -2.271 1.00 4.27 H new ATOM 0 HH22 ARG A 68 0.740 -15.332 -0.698 1.00 4.27 H new ATOM 1021 N ASP A 69 2.104 -9.492 -0.456 1.00 0.41 N ATOM 1022 CA ASP A 69 2.327 -9.640 0.980 1.00 0.42 C ATOM 1023 C ASP A 69 3.812 -9.789 1.317 1.00 0.42 C ATOM 1024 O ASP A 69 4.503 -10.634 0.751 1.00 0.64 O ATOM 1025 CB ASP A 69 1.506 -10.821 1.533 1.00 0.63 C ATOM 1026 CG ASP A 69 1.671 -12.109 0.739 1.00 2.65 C ATOM 1027 OD1 ASP A 69 0.977 -12.219 -0.291 1.00 4.16 O ATOM 1028 OD2 ASP A 69 2.471 -12.988 1.131 1.00 3.54 O ATOM 0 H ASP A 69 1.232 -9.927 -0.759 1.00 0.41 H new ATOM 0 HA ASP A 69 1.985 -8.725 1.465 1.00 0.42 H new ATOM 0 HB2 ASP A 69 1.799 -11.003 2.567 1.00 0.63 H new ATOM 0 HB3 ASP A 69 0.452 -10.545 1.544 1.00 0.63 H new ATOM 1033 N GLU A 70 4.281 -8.959 2.257 1.00 0.42 N ATOM 1034 CA GLU A 70 5.601 -9.053 2.861 1.00 0.48 C ATOM 1035 C GLU A 70 5.435 -9.212 4.372 1.00 0.63 C ATOM 1036 O GLU A 70 5.941 -8.415 5.161 1.00 0.68 O ATOM 1037 CB GLU A 70 6.431 -7.816 2.476 1.00 0.50 C ATOM 1038 CG GLU A 70 7.588 -8.217 1.561 1.00 0.78 C ATOM 1039 CD GLU A 70 8.540 -7.060 1.291 1.00 0.94 C ATOM 1040 OE1 GLU A 70 8.215 -5.925 1.708 1.00 1.85 O ATOM 1041 OE2 GLU A 70 9.584 -7.348 0.666 1.00 1.70 O ATOM 0 H GLU A 70 3.730 -8.183 2.624 1.00 0.42 H new ATOM 0 HA GLU A 70 6.144 -9.924 2.493 1.00 0.48 H new ATOM 0 HB2 GLU A 70 5.797 -7.086 1.973 1.00 0.50 H new ATOM 0 HB3 GLU A 70 6.819 -7.336 3.374 1.00 0.50 H new ATOM 0 HG2 GLU A 70 8.140 -9.040 2.016 1.00 0.78 H new ATOM 0 HG3 GLU A 70 7.190 -8.585 0.615 1.00 0.78 H new