USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, 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 -168:sc= 0.936 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 164:sc= 1.14 (180deg=0) USER MOD Single : A 6 TYR OH : rot 174:sc= 0.952 USER MOD Single : A 7 SER OG : rot 13:sc= 1.2 USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.22) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 149:sc= -0.658 (180deg=-2.7!) USER MOD Single : A 18 CYS SG : rot 128:sc= 0.6 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) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 1.1 K(o=1.1,f=-0.72) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) 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+ -158:sc= 0 (180deg=-0.00644) USER MOD Single : A 50 ASN : amide:sc= 0.298 X(o=0.3,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=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 2.076 -2.575 11.787 1.00 0.57 N ATOM 34 CA ARG A 5 2.459 -2.237 10.446 1.00 0.63 C ATOM 35 C ARG A 5 2.654 -3.518 9.650 1.00 0.37 C ATOM 36 O ARG A 5 3.292 -4.457 10.115 1.00 0.53 O ATOM 37 CB ARG A 5 3.673 -1.310 10.463 1.00 1.16 C ATOM 38 CG ARG A 5 5.052 -1.978 10.502 1.00 0.86 C ATOM 39 CD ARG A 5 5.496 -2.538 9.133 1.00 0.63 C ATOM 40 NE ARG A 5 6.959 -2.555 8.962 1.00 0.94 N ATOM 41 CZ ARG A 5 7.750 -3.564 9.364 1.00 1.10 C ATOM 42 NH1 ARG A 5 7.319 -4.432 10.273 1.00 2.76 N ATOM 43 NH2 ARG A 5 8.967 -3.742 8.850 1.00 1.31 N ATOM 0 HA ARG A 5 1.674 -1.674 9.941 1.00 0.63 H new ATOM 0 HB2 ARG A 5 3.628 -0.675 9.578 1.00 1.16 H new ATOM 0 HB3 ARG A 5 3.588 -0.655 11.330 1.00 1.16 H new ATOM 0 HG2 ARG A 5 5.790 -1.254 10.847 1.00 0.86 H new ATOM 0 HG3 ARG A 5 5.035 -2.788 11.231 1.00 0.86 H new ATOM 0 HD2 ARG A 5 5.111 -3.552 9.020 1.00 0.63 H new ATOM 0 HD3 ARG A 5 5.051 -1.938 8.340 1.00 0.63 H new ATOM 0 HE ARG A 5 7.398 -1.752 8.511 1.00 0.94 H new ATOM 0 HH11 ARG A 5 6.384 -4.334 10.669 1.00 2.76 H new ATOM 0 HH12 ARG A 5 7.923 -5.196 10.575 1.00 2.76 H new ATOM 0 HH21 ARG A 5 9.317 -3.104 8.135 1.00 1.31 H new ATOM 0 HH22 ARG A 5 9.548 -4.516 9.172 1.00 1.31 H new ATOM 57 N TYR A 6 2.098 -3.543 8.449 1.00 0.32 N ATOM 58 CA TYR A 6 2.329 -4.548 7.419 1.00 0.26 C ATOM 59 C TYR A 6 3.235 -3.954 6.334 1.00 0.34 C ATOM 60 O TYR A 6 3.543 -2.765 6.396 1.00 0.69 O ATOM 61 CB TYR A 6 0.984 -4.840 6.777 1.00 0.45 C ATOM 62 CG TYR A 6 -0.184 -5.043 7.697 1.00 0.53 C ATOM 63 CD1 TYR A 6 -0.501 -6.301 8.231 1.00 1.80 C ATOM 64 CD2 TYR A 6 -0.958 -3.925 8.023 1.00 1.83 C ATOM 65 CE1 TYR A 6 -1.531 -6.404 9.187 1.00 1.60 C ATOM 66 CE2 TYR A 6 -1.900 -4.011 9.042 1.00 2.06 C ATOM 67 CZ TYR A 6 -2.183 -5.241 9.647 1.00 0.79 C ATOM 68 OH TYR A 6 -3.049 -5.278 10.699 1.00 1.25 O ATOM 0 H TYR A 6 1.438 -2.825 8.149 1.00 0.32 H new ATOM 0 HA TYR A 6 2.786 -5.440 7.846 1.00 0.26 H new ATOM 0 HB2 TYR A 6 0.745 -4.017 6.104 1.00 0.45 H new ATOM 0 HB3 TYR A 6 1.090 -5.734 6.162 1.00 0.45 H new ATOM 0 HD1 TYR A 6 0.039 -7.181 7.913 1.00 1.80 H new ATOM 0 HD2 TYR A 6 -0.825 -2.998 7.485 1.00 1.83 H new ATOM 0 HE1 TYR A 6 -1.821 -7.372 9.567 1.00 1.60 H new ATOM 0 HE2 TYR A 6 -2.418 -3.121 9.369 1.00 2.06 H new ATOM 0 HH TYR A 6 -3.326 -4.366 10.927 1.00 1.25 H new ATOM 78 N SER A 7 3.601 -4.737 5.311 1.00 0.18 N ATOM 79 CA SER A 7 4.348 -4.259 4.148 1.00 0.15 C ATOM 80 C SER A 7 4.006 -5.082 2.912 1.00 0.14 C ATOM 81 O SER A 7 3.619 -6.244 3.032 1.00 0.20 O ATOM 82 CB SER A 7 5.852 -4.318 4.455 1.00 0.26 C ATOM 83 OG SER A 7 6.597 -3.516 3.559 1.00 1.61 O ATOM 0 H SER A 7 3.382 -5.732 5.271 1.00 0.18 H new ATOM 0 HA SER A 7 4.070 -3.226 3.938 1.00 0.15 H new ATOM 0 HB2 SER A 7 6.029 -3.983 5.477 1.00 0.26 H new ATOM 0 HB3 SER A 7 6.197 -5.350 4.393 1.00 0.26 H new ATOM 0 HG SER A 7 5.989 -2.932 3.059 1.00 1.61 H new ATOM 89 N TRP A 8 4.146 -4.454 1.741 1.00 0.12 N ATOM 90 CA TRP A 8 4.007 -5.077 0.435 1.00 0.15 C ATOM 91 C TRP A 8 5.149 -4.622 -0.463 1.00 0.15 C ATOM 92 O TRP A 8 5.553 -3.461 -0.376 1.00 0.17 O ATOM 93 CB TRP A 8 2.670 -4.671 -0.206 1.00 0.20 C ATOM 94 CG TRP A 8 1.495 -5.054 0.623 1.00 0.19 C ATOM 95 CD1 TRP A 8 1.033 -6.308 0.753 1.00 0.25 C ATOM 96 CD2 TRP A 8 0.768 -4.335 1.645 1.00 0.22 C ATOM 97 NE1 TRP A 8 0.450 -6.428 2.006 1.00 0.27 N ATOM 98 CE2 TRP A 8 0.568 -5.228 2.708 1.00 0.25 C ATOM 99 CE3 TRP A 8 0.245 -3.061 1.911 1.00 0.27 C ATOM 100 CZ2 TRP A 8 0.324 -4.651 3.983 1.00 0.32 C ATOM 101 CZ3 TRP A 8 -0.845 -3.041 2.828 1.00 0.31 C ATOM 102 CH2 TRP A 8 -0.582 -3.588 4.053 1.00 0.35 C ATOM 0 H TRP A 8 4.368 -3.460 1.682 1.00 0.12 H new ATOM 0 HA TRP A 8 4.033 -6.160 0.553 1.00 0.15 H new ATOM 0 HB2 TRP A 8 2.661 -3.593 -0.365 1.00 0.20 H new ATOM 0 HB3 TRP A 8 2.585 -5.139 -1.187 1.00 0.20 H new ATOM 0 HD1 TRP A 8 1.103 -7.089 0.010 1.00 0.25 H new ATOM 0 HE1 TRP A 8 0.000 -7.271 2.362 1.00 0.27 H new ATOM 0 HE3 TRP A 8 0.638 -2.164 1.456 1.00 0.27 H new ATOM 0 HZ2 TRP A 8 0.821 -5.021 4.868 1.00 0.32 H new ATOM 0 HZ3 TRP A 8 -1.808 -2.624 2.574 1.00 0.31 H new ATOM 0 HH2 TRP A 8 -1.025 -3.238 4.974 1.00 0.35 H new ATOM 113 N LYS A 9 5.605 -5.518 -1.344 1.00 0.22 N ATOM 114 CA LYS A 9 6.632 -5.250 -2.345 1.00 0.27 C ATOM 115 C LYS A 9 5.937 -5.052 -3.687 1.00 0.35 C ATOM 116 O LYS A 9 5.205 -5.953 -4.090 1.00 0.47 O ATOM 117 CB LYS A 9 7.648 -6.403 -2.402 1.00 0.35 C ATOM 118 CG LYS A 9 7.078 -7.741 -2.917 1.00 0.80 C ATOM 119 CD LYS A 9 7.783 -8.954 -2.302 1.00 0.64 C ATOM 120 CE LYS A 9 9.269 -9.053 -2.666 1.00 1.21 C ATOM 121 NZ LYS A 9 10.038 -9.689 -1.579 1.00 1.96 N ATOM 0 H LYS A 9 5.257 -6.476 -1.378 1.00 0.22 H new ATOM 0 HA LYS A 9 7.191 -4.351 -2.086 1.00 0.27 H new ATOM 0 HB2 LYS A 9 8.478 -6.106 -3.044 1.00 0.35 H new ATOM 0 HB3 LYS A 9 8.057 -6.558 -1.404 1.00 0.35 H new ATOM 0 HG2 LYS A 9 6.013 -7.790 -2.690 1.00 0.80 H new ATOM 0 HG3 LYS A 9 7.175 -7.780 -4.002 1.00 0.80 H new ATOM 0 HD2 LYS A 9 7.686 -8.908 -1.217 1.00 0.64 H new ATOM 0 HD3 LYS A 9 7.277 -9.862 -2.629 1.00 0.64 H new ATOM 0 HE2 LYS A 9 9.385 -9.630 -3.584 1.00 1.21 H new ATOM 0 HE3 LYS A 9 9.666 -8.057 -2.863 1.00 1.21 H new ATOM 0 HZ1 LYS A 9 11.056 -9.593 -1.771 1.00 1.96 H new ATOM 0 HZ2 LYS A 9 9.811 -9.226 -0.676 1.00 1.96 H new ATOM 0 HZ3 LYS A 9 9.790 -10.697 -1.522 1.00 1.96 H new ATOM 135 N VAL A 10 6.108 -3.906 -4.353 1.00 0.50 N ATOM 136 CA VAL A 10 5.308 -3.526 -5.520 1.00 0.64 C ATOM 137 C VAL A 10 6.148 -3.241 -6.767 1.00 0.89 C ATOM 138 O VAL A 10 6.679 -2.145 -6.952 1.00 2.03 O ATOM 139 CB VAL A 10 4.327 -2.401 -5.156 1.00 0.73 C ATOM 140 CG1 VAL A 10 4.981 -1.130 -4.607 1.00 1.29 C ATOM 141 CG2 VAL A 10 3.414 -2.081 -6.346 1.00 1.63 C ATOM 0 H VAL A 10 6.810 -3.212 -4.096 1.00 0.50 H new ATOM 0 HA VAL A 10 4.709 -4.391 -5.807 1.00 0.64 H new ATOM 0 HB VAL A 10 3.732 -2.788 -4.329 1.00 0.73 H new ATOM 0 HG11 VAL A 10 4.210 -0.394 -4.379 1.00 1.29 H new ATOM 0 HG12 VAL A 10 5.535 -1.369 -3.699 1.00 1.29 H new ATOM 0 HG13 VAL A 10 5.664 -0.721 -5.352 1.00 1.29 H new ATOM 0 HG21 VAL A 10 2.725 -1.282 -6.072 1.00 1.63 H new ATOM 0 HG22 VAL A 10 4.020 -1.762 -7.194 1.00 1.63 H new ATOM 0 HG23 VAL A 10 2.847 -2.971 -6.619 1.00 1.63 H new ATOM 151 N SER A 11 6.210 -4.215 -7.679 1.00 0.53 N ATOM 152 CA SER A 11 6.907 -4.036 -8.944 1.00 0.49 C ATOM 153 C SER A 11 6.033 -3.167 -9.856 1.00 0.57 C ATOM 154 O SER A 11 5.249 -3.689 -10.647 1.00 1.14 O ATOM 155 CB SER A 11 7.244 -5.406 -9.552 1.00 0.69 C ATOM 156 OG SER A 11 8.234 -5.282 -10.554 1.00 1.79 O ATOM 0 H SER A 11 5.784 -5.134 -7.560 1.00 0.53 H new ATOM 0 HA SER A 11 7.858 -3.522 -8.805 1.00 0.49 H new ATOM 0 HB2 SER A 11 7.594 -6.079 -8.770 1.00 0.69 H new ATOM 0 HB3 SER A 11 6.344 -5.851 -9.977 1.00 0.69 H new ATOM 0 HG SER A 11 8.435 -6.166 -10.927 1.00 1.79 H new ATOM 162 N GLY A 12 6.124 -1.839 -9.712 1.00 0.51 N ATOM 163 CA GLY A 12 5.363 -0.923 -10.555 1.00 0.55 C ATOM 164 C GLY A 12 5.471 0.551 -10.156 1.00 0.67 C ATOM 165 O GLY A 12 5.428 1.423 -11.017 1.00 1.42 O ATOM 0 H GLY A 12 6.717 -1.381 -9.020 1.00 0.51 H new ATOM 0 HA2 GLY A 12 5.702 -1.032 -11.585 1.00 0.55 H new ATOM 0 HA3 GLY A 12 4.313 -1.216 -10.532 1.00 0.55 H new ATOM 169 N MET A 13 5.555 0.860 -8.859 1.00 0.41 N ATOM 170 CA MET A 13 5.514 2.245 -8.397 1.00 0.43 C ATOM 171 C MET A 13 6.849 2.972 -8.618 1.00 0.43 C ATOM 172 O MET A 13 7.824 2.699 -7.917 1.00 0.54 O ATOM 173 CB MET A 13 5.133 2.283 -6.916 1.00 0.50 C ATOM 174 CG MET A 13 3.639 2.473 -6.641 1.00 1.27 C ATOM 175 SD MET A 13 3.354 3.459 -5.149 1.00 2.14 S ATOM 176 CE MET A 13 4.174 2.439 -3.909 1.00 2.07 C ATOM 0 H MET A 13 5.652 0.170 -8.114 1.00 0.41 H new ATOM 0 HA MET A 13 4.761 2.768 -8.987 1.00 0.43 H new ATOM 0 HB2 MET A 13 5.459 1.354 -6.448 1.00 0.50 H new ATOM 0 HB3 MET A 13 5.682 3.092 -6.435 1.00 0.50 H new ATOM 0 HG2 MET A 13 3.171 2.962 -7.495 1.00 1.27 H new ATOM 0 HG3 MET A 13 3.162 1.499 -6.530 1.00 1.27 H new ATOM 0 HE1 MET A 13 4.575 3.076 -3.121 1.00 2.07 H new ATOM 0 HE2 MET A 13 3.456 1.740 -3.480 1.00 2.07 H new ATOM 0 HE3 MET A 13 4.988 1.883 -4.375 1.00 2.07 H new ATOM 186 N ASP A 14 6.865 3.942 -9.540 1.00 0.47 N ATOM 187 CA ASP A 14 8.061 4.624 -10.030 1.00 0.46 C ATOM 188 C ASP A 14 8.064 6.152 -9.830 1.00 0.43 C ATOM 189 O ASP A 14 9.099 6.774 -10.062 1.00 0.50 O ATOM 190 CB ASP A 14 8.206 4.294 -11.524 1.00 0.61 C ATOM 191 CG ASP A 14 6.972 4.706 -12.321 1.00 0.71 C ATOM 192 OD1 ASP A 14 6.615 5.898 -12.253 1.00 1.42 O ATOM 193 OD2 ASP A 14 6.359 3.818 -12.948 1.00 1.10 O ATOM 0 H ASP A 14 6.011 4.284 -9.980 1.00 0.47 H new ATOM 0 HA ASP A 14 8.903 4.263 -9.439 1.00 0.46 H new ATOM 0 HB2 ASP A 14 9.083 4.803 -11.924 1.00 0.61 H new ATOM 0 HB3 ASP A 14 8.375 3.224 -11.645 1.00 0.61 H new ATOM 198 N CYS A 15 6.953 6.761 -9.389 1.00 0.40 N ATOM 199 CA CYS A 15 6.749 8.205 -9.430 1.00 0.40 C ATOM 200 C CYS A 15 6.145 8.670 -8.109 1.00 0.33 C ATOM 201 O CYS A 15 5.341 7.955 -7.511 1.00 0.30 O ATOM 202 CB CYS A 15 5.787 8.601 -10.565 1.00 0.48 C ATOM 203 SG CYS A 15 5.983 7.638 -12.088 1.00 0.64 S ATOM 0 H CYS A 15 6.164 6.252 -8.990 1.00 0.40 H new ATOM 0 HA CYS A 15 7.717 8.675 -9.603 1.00 0.40 H new ATOM 0 HB2 CYS A 15 4.762 8.491 -10.210 1.00 0.48 H new ATOM 0 HB3 CYS A 15 5.933 9.656 -10.796 1.00 0.48 H new ATOM 208 N ALA A 16 6.451 9.903 -7.699 1.00 0.32 N ATOM 209 CA ALA A 16 5.838 10.493 -6.517 1.00 0.30 C ATOM 210 C ALA A 16 4.330 10.645 -6.707 1.00 0.25 C ATOM 211 O ALA A 16 3.567 10.461 -5.766 1.00 0.25 O ATOM 212 CB ALA A 16 6.471 11.852 -6.208 1.00 0.35 C ATOM 0 H ALA A 16 7.121 10.509 -8.172 1.00 0.32 H new ATOM 0 HA ALA A 16 6.013 9.825 -5.674 1.00 0.30 H new ATOM 0 HB1 ALA A 16 6.001 12.279 -5.322 1.00 0.35 H new ATOM 0 HB2 ALA A 16 7.538 11.724 -6.027 1.00 0.35 H new ATOM 0 HB3 ALA A 16 6.325 12.522 -7.055 1.00 0.35 H new ATOM 218 N ALA A 17 3.887 10.992 -7.921 1.00 0.24 N ATOM 219 CA ALA A 17 2.465 11.106 -8.217 1.00 0.23 C ATOM 220 C ALA A 17 1.770 9.760 -8.000 1.00 0.21 C ATOM 221 O ALA A 17 0.753 9.697 -7.313 1.00 0.23 O ATOM 222 CB ALA A 17 2.261 11.619 -9.644 1.00 0.26 C ATOM 0 H ALA A 17 4.498 11.198 -8.711 1.00 0.24 H new ATOM 0 HA ALA A 17 2.015 11.828 -7.536 1.00 0.23 H new ATOM 0 HB1 ALA A 17 1.194 11.700 -9.853 1.00 0.26 H new ATOM 0 HB2 ALA A 17 2.726 12.599 -9.748 1.00 0.26 H new ATOM 0 HB3 ALA A 17 2.717 10.924 -10.349 1.00 0.26 H new ATOM 228 N CYS A 18 2.341 8.692 -8.566 1.00 0.23 N ATOM 229 CA CYS A 18 1.912 7.319 -8.342 1.00 0.24 C ATOM 230 C CYS A 18 1.855 7.056 -6.837 1.00 0.21 C ATOM 231 O CYS A 18 0.817 6.652 -6.320 1.00 0.22 O ATOM 232 CB CYS A 18 2.850 6.338 -9.069 1.00 0.32 C ATOM 233 SG CYS A 18 2.819 6.652 -10.863 1.00 0.50 S ATOM 0 H CYS A 18 3.132 8.766 -9.206 1.00 0.23 H new ATOM 0 HA CYS A 18 0.915 7.165 -8.754 1.00 0.24 H new ATOM 0 HB2 CYS A 18 3.866 6.447 -8.691 1.00 0.32 H new ATOM 0 HB3 CYS A 18 2.543 5.312 -8.867 1.00 0.32 H new ATOM 0 HG CYS A 18 4.035 6.805 -11.298 1.00 0.50 H new ATOM 238 N ALA A 19 2.948 7.337 -6.121 1.00 0.20 N ATOM 239 CA ALA A 19 2.981 7.185 -4.675 1.00 0.22 C ATOM 240 C ALA A 19 1.802 7.892 -4.014 1.00 0.21 C ATOM 241 O ALA A 19 1.086 7.280 -3.236 1.00 0.25 O ATOM 242 CB ALA A 19 4.312 7.662 -4.098 1.00 0.24 C ATOM 0 H ALA A 19 3.822 7.672 -6.527 1.00 0.20 H new ATOM 0 HA ALA A 19 2.889 6.122 -4.454 1.00 0.22 H new ATOM 0 HB1 ALA A 19 4.305 7.535 -3.015 1.00 0.24 H new ATOM 0 HB2 ALA A 19 5.125 7.076 -4.527 1.00 0.24 H new ATOM 0 HB3 ALA A 19 4.457 8.715 -4.339 1.00 0.24 H new ATOM 248 N ARG A 20 1.561 9.161 -4.331 1.00 0.21 N ATOM 249 CA ARG A 20 0.461 9.911 -3.740 1.00 0.25 C ATOM 250 C ARG A 20 -0.896 9.307 -4.105 1.00 0.29 C ATOM 251 O ARG A 20 -1.811 9.259 -3.282 1.00 0.38 O ATOM 252 CB ARG A 20 0.556 11.392 -4.127 1.00 0.31 C ATOM 253 CG ARG A 20 0.846 12.286 -2.911 1.00 0.63 C ATOM 254 CD ARG A 20 -0.420 13.028 -2.485 1.00 1.09 C ATOM 255 NE ARG A 20 -0.393 13.321 -1.045 1.00 1.85 N ATOM 256 CZ ARG A 20 -0.981 14.374 -0.459 1.00 2.58 C ATOM 257 NH1 ARG A 20 -1.776 15.177 -1.178 1.00 2.95 N ATOM 258 NH2 ARG A 20 -0.779 14.618 0.840 1.00 3.44 N ATOM 0 H ARG A 20 2.118 9.693 -4.999 1.00 0.21 H new ATOM 0 HA ARG A 20 0.546 9.843 -2.655 1.00 0.25 H new ATOM 0 HB2 ARG A 20 1.343 11.523 -4.870 1.00 0.31 H new ATOM 0 HB3 ARG A 20 -0.378 11.706 -4.593 1.00 0.31 H new ATOM 0 HG2 ARG A 20 1.216 11.679 -2.085 1.00 0.63 H new ATOM 0 HG3 ARG A 20 1.630 13.002 -3.156 1.00 0.63 H new ATOM 0 HD2 ARG A 20 -0.510 13.957 -3.048 1.00 1.09 H new ATOM 0 HD3 ARG A 20 -1.297 12.426 -2.722 1.00 1.09 H new ATOM 0 HE ARG A 20 0.113 12.671 -0.443 1.00 1.85 H new ATOM 0 HH11 ARG A 20 -1.932 14.987 -2.168 1.00 2.95 H new ATOM 0 HH12 ARG A 20 -2.225 15.979 -0.736 1.00 2.95 H new ATOM 0 HH21 ARG A 20 -0.177 14.003 1.387 1.00 3.44 H new ATOM 0 HH22 ARG A 20 -1.227 15.420 1.284 1.00 3.44 H new ATOM 272 N LYS A 21 -1.040 8.839 -5.345 1.00 0.24 N ATOM 273 CA LYS A 21 -2.240 8.139 -5.765 1.00 0.27 C ATOM 274 C LYS A 21 -2.454 6.926 -4.854 1.00 0.29 C ATOM 275 O LYS A 21 -3.552 6.700 -4.352 1.00 0.38 O ATOM 276 CB LYS A 21 -2.106 7.713 -7.238 1.00 0.34 C ATOM 277 CG LYS A 21 -3.452 7.716 -7.975 1.00 1.05 C ATOM 278 CD LYS A 21 -3.694 9.085 -8.626 1.00 1.53 C ATOM 279 CE LYS A 21 -5.026 9.100 -9.388 1.00 1.60 C ATOM 280 NZ LYS A 21 -5.184 10.324 -10.203 1.00 2.78 N ATOM 0 H LYS A 21 -0.333 8.936 -6.074 1.00 0.24 H new ATOM 0 HA LYS A 21 -3.107 8.795 -5.683 1.00 0.27 H new ATOM 0 HB2 LYS A 21 -1.416 8.386 -7.746 1.00 0.34 H new ATOM 0 HB3 LYS A 21 -1.671 6.715 -7.286 1.00 0.34 H new ATOM 0 HG2 LYS A 21 -3.460 6.936 -8.736 1.00 1.05 H new ATOM 0 HG3 LYS A 21 -4.258 7.489 -7.277 1.00 1.05 H new ATOM 0 HD2 LYS A 21 -3.700 9.861 -7.860 1.00 1.53 H new ATOM 0 HD3 LYS A 21 -2.877 9.317 -9.309 1.00 1.53 H new ATOM 0 HE2 LYS A 21 -5.084 8.224 -10.034 1.00 1.60 H new ATOM 0 HE3 LYS A 21 -5.850 9.028 -8.679 1.00 1.60 H new ATOM 0 HZ1 LYS A 21 -6.096 10.294 -10.701 1.00 2.78 H new ATOM 0 HZ2 LYS A 21 -5.155 11.159 -9.584 1.00 2.78 H new ATOM 0 HZ3 LYS A 21 -4.412 10.381 -10.898 1.00 2.78 H new ATOM 294 N VAL A 22 -1.394 6.144 -4.655 1.00 0.25 N ATOM 295 CA VAL A 22 -1.433 4.871 -3.966 1.00 0.26 C ATOM 296 C VAL A 22 -1.658 5.080 -2.471 1.00 0.19 C ATOM 297 O VAL A 22 -2.556 4.461 -1.901 1.00 0.24 O ATOM 298 CB VAL A 22 -0.163 4.083 -4.319 1.00 0.37 C ATOM 299 CG1 VAL A 22 -0.025 2.807 -3.490 1.00 0.38 C ATOM 300 CG2 VAL A 22 -0.263 3.671 -5.790 1.00 0.68 C ATOM 0 H VAL A 22 -0.460 6.393 -4.981 1.00 0.25 H new ATOM 0 HA VAL A 22 -2.280 4.268 -4.294 1.00 0.26 H new ATOM 0 HB VAL A 22 0.699 4.718 -4.116 1.00 0.37 H new ATOM 0 HG11 VAL A 22 0.888 2.284 -3.776 1.00 0.38 H new ATOM 0 HG12 VAL A 22 0.020 3.064 -2.432 1.00 0.38 H new ATOM 0 HG13 VAL A 22 -0.884 2.161 -3.670 1.00 0.38 H new ATOM 0 HG21 VAL A 22 0.627 3.108 -6.071 1.00 0.68 H new ATOM 0 HG22 VAL A 22 -1.146 3.049 -5.934 1.00 0.68 H new ATOM 0 HG23 VAL A 22 -0.341 4.562 -6.413 1.00 0.68 H new ATOM 310 N GLU A 23 -0.879 5.964 -1.837 1.00 0.19 N ATOM 311 CA GLU A 23 -1.031 6.267 -0.425 1.00 0.27 C ATOM 312 C GLU A 23 -2.477 6.666 -0.167 1.00 0.27 C ATOM 313 O GLU A 23 -3.099 6.190 0.776 1.00 0.30 O ATOM 314 CB GLU A 23 -0.022 7.316 0.089 1.00 0.38 C ATOM 315 CG GLU A 23 -0.424 8.753 -0.264 1.00 0.35 C ATOM 316 CD GLU A 23 0.595 9.823 0.126 1.00 0.64 C ATOM 317 OE1 GLU A 23 1.761 9.449 0.360 1.00 1.63 O ATOM 318 OE2 GLU A 23 0.186 11.009 0.177 1.00 1.83 O ATOM 0 H GLU A 23 -0.130 6.484 -2.294 1.00 0.19 H new ATOM 0 HA GLU A 23 -0.797 5.371 0.149 1.00 0.27 H new ATOM 0 HB2 GLU A 23 0.069 7.225 1.171 1.00 0.38 H new ATOM 0 HB3 GLU A 23 0.961 7.105 -0.333 1.00 0.38 H new ATOM 0 HG2 GLU A 23 -0.597 8.812 -1.338 1.00 0.35 H new ATOM 0 HG3 GLU A 23 -1.372 8.980 0.225 1.00 0.35 H new ATOM 325 N ASN A 24 -3.030 7.518 -1.034 1.00 0.29 N ATOM 326 CA ASN A 24 -4.406 7.953 -0.910 1.00 0.39 C ATOM 327 C ASN A 24 -5.364 6.776 -1.076 1.00 0.40 C ATOM 328 O ASN A 24 -6.236 6.558 -0.235 1.00 0.50 O ATOM 329 CB ASN A 24 -4.705 9.039 -1.939 1.00 0.45 C ATOM 330 CG ASN A 24 -6.025 9.698 -1.587 1.00 1.27 C ATOM 331 OD1 ASN A 24 -7.081 9.326 -2.087 1.00 2.59 O ATOM 332 ND2 ASN A 24 -5.958 10.676 -0.692 1.00 1.62 N ATOM 0 H ASN A 24 -2.535 7.917 -1.831 1.00 0.29 H new ATOM 0 HA ASN A 24 -4.551 8.366 0.088 1.00 0.39 H new ATOM 0 HB2 ASN A 24 -3.905 9.779 -1.949 1.00 0.45 H new ATOM 0 HB3 ASN A 24 -4.754 8.608 -2.939 1.00 0.45 H new ATOM 0 HD21 ASN A 24 -6.809 11.153 -0.393 1.00 1.62 H new ATOM 0 HD22 ASN A 24 -5.056 10.951 -0.304 1.00 1.62 H new ATOM 339 N ALA A 25 -5.187 6.021 -2.164 1.00 0.37 N ATOM 340 CA ALA A 25 -6.023 4.888 -2.532 1.00 0.42 C ATOM 341 C ALA A 25 -6.087 3.835 -1.427 1.00 0.33 C ATOM 342 O ALA A 25 -7.126 3.202 -1.254 1.00 0.36 O ATOM 343 CB ALA A 25 -5.526 4.281 -3.843 1.00 0.52 C ATOM 0 H ALA A 25 -4.433 6.191 -2.830 1.00 0.37 H new ATOM 0 HA ALA A 25 -7.040 5.253 -2.672 1.00 0.42 H new ATOM 0 HB1 ALA A 25 -6.156 3.433 -4.113 1.00 0.52 H new ATOM 0 HB2 ALA A 25 -5.570 5.032 -4.632 1.00 0.52 H new ATOM 0 HB3 ALA A 25 -4.497 3.944 -3.721 1.00 0.52 H new ATOM 349 N VAL A 26 -5.006 3.650 -0.664 1.00 0.24 N ATOM 350 CA VAL A 26 -5.068 2.811 0.524 1.00 0.22 C ATOM 351 C VAL A 26 -5.655 3.591 1.705 1.00 0.24 C ATOM 352 O VAL A 26 -6.525 3.082 2.407 1.00 0.27 O ATOM 353 CB VAL A 26 -3.721 2.138 0.826 1.00 0.30 C ATOM 354 CG1 VAL A 26 -3.220 1.384 -0.410 1.00 1.82 C ATOM 355 CG2 VAL A 26 -2.616 3.069 1.315 1.00 1.62 C ATOM 0 H VAL A 26 -4.093 4.065 -0.848 1.00 0.24 H new ATOM 0 HA VAL A 26 -5.753 1.985 0.331 1.00 0.22 H new ATOM 0 HB VAL A 26 -3.933 1.463 1.655 1.00 0.30 H new ATOM 0 HG11 VAL A 26 -2.264 0.911 -0.185 1.00 1.82 H new ATOM 0 HG12 VAL A 26 -3.946 0.621 -0.690 1.00 1.82 H new ATOM 0 HG13 VAL A 26 -3.093 2.084 -1.236 1.00 1.82 H new ATOM 0 HG21 VAL A 26 -1.709 2.493 1.498 1.00 1.62 H new ATOM 0 HG22 VAL A 26 -2.417 3.827 0.557 1.00 1.62 H new ATOM 0 HG23 VAL A 26 -2.931 3.553 2.239 1.00 1.62 H new ATOM 365 N ARG A 27 -5.210 4.832 1.938 1.00 0.25 N ATOM 366 CA ARG A 27 -5.606 5.600 3.116 1.00 0.29 C ATOM 367 C ARG A 27 -7.127 5.744 3.217 1.00 0.34 C ATOM 368 O ARG A 27 -7.678 5.751 4.313 1.00 0.38 O ATOM 369 CB ARG A 27 -4.904 6.963 3.101 1.00 0.32 C ATOM 370 CG ARG A 27 -5.144 7.753 4.389 1.00 0.42 C ATOM 371 CD ARG A 27 -4.312 9.041 4.372 1.00 0.45 C ATOM 372 NE ARG A 27 -4.441 9.782 5.637 1.00 0.71 N ATOM 373 CZ ARG A 27 -5.471 10.576 5.974 1.00 1.53 C ATOM 374 NH1 ARG A 27 -6.500 10.722 5.131 1.00 3.26 N ATOM 375 NH2 ARG A 27 -5.466 11.217 7.147 1.00 1.47 N ATOM 0 H ARG A 27 -4.569 5.326 1.317 1.00 0.25 H new ATOM 0 HA ARG A 27 -5.292 5.057 4.007 1.00 0.29 H new ATOM 0 HB2 ARG A 27 -3.833 6.816 2.961 1.00 0.32 H new ATOM 0 HB3 ARG A 27 -5.260 7.543 2.250 1.00 0.32 H new ATOM 0 HG2 ARG A 27 -6.202 7.994 4.486 1.00 0.42 H new ATOM 0 HG3 ARG A 27 -4.874 7.147 5.254 1.00 0.42 H new ATOM 0 HD2 ARG A 27 -3.264 8.797 4.197 1.00 0.45 H new ATOM 0 HD3 ARG A 27 -4.634 9.673 3.544 1.00 0.45 H new ATOM 0 HE ARG A 27 -3.685 9.685 6.315 1.00 0.71 H new ATOM 0 HH11 ARG A 27 -6.500 10.231 4.237 1.00 3.26 H new ATOM 0 HH12 ARG A 27 -7.284 11.324 5.383 1.00 3.26 H new ATOM 0 HH21 ARG A 27 -4.680 11.103 7.787 1.00 1.47 H new ATOM 0 HH22 ARG A 27 -6.248 11.820 7.402 1.00 1.47 H new ATOM 389 N GLN A 28 -7.808 5.846 2.074 1.00 0.35 N ATOM 390 CA GLN A 28 -9.261 5.943 2.016 1.00 0.41 C ATOM 391 C GLN A 28 -9.988 4.741 2.638 1.00 0.40 C ATOM 392 O GLN A 28 -11.183 4.849 2.888 1.00 0.45 O ATOM 393 CB GLN A 28 -9.749 6.229 0.590 1.00 0.48 C ATOM 394 CG GLN A 28 -9.319 5.116 -0.358 1.00 0.49 C ATOM 395 CD GLN A 28 -9.936 5.243 -1.745 1.00 0.64 C ATOM 396 OE1 GLN A 28 -10.704 4.388 -2.173 1.00 0.89 O ATOM 397 NE2 GLN A 28 -9.609 6.311 -2.468 1.00 0.82 N ATOM 0 H GLN A 28 -7.360 5.863 1.158 1.00 0.35 H new ATOM 0 HA GLN A 28 -9.526 6.796 2.640 1.00 0.41 H new ATOM 0 HB2 GLN A 28 -10.835 6.320 0.583 1.00 0.48 H new ATOM 0 HB3 GLN A 28 -9.347 7.182 0.247 1.00 0.48 H new ATOM 0 HG2 GLN A 28 -8.233 5.122 -0.448 1.00 0.49 H new ATOM 0 HG3 GLN A 28 -9.598 4.153 0.071 1.00 0.49 H new ATOM 0 HE21 GLN A 28 -8.968 7.007 -2.088 1.00 0.82 H new ATOM 0 HE22 GLN A 28 -10.000 6.433 -3.402 1.00 0.82 H new ATOM 406 N LEU A 29 -9.321 3.591 2.824 1.00 0.35 N ATOM 407 CA LEU A 29 -10.006 2.348 3.164 1.00 0.34 C ATOM 408 C LEU A 29 -10.793 2.458 4.476 1.00 0.31 C ATOM 409 O LEU A 29 -12.020 2.434 4.441 1.00 0.38 O ATOM 410 CB LEU A 29 -9.012 1.179 3.195 1.00 0.33 C ATOM 411 CG LEU A 29 -8.505 0.785 1.797 1.00 0.35 C ATOM 412 CD1 LEU A 29 -7.294 -0.138 1.957 1.00 0.39 C ATOM 413 CD2 LEU A 29 -9.589 0.087 0.966 1.00 0.44 C ATOM 0 H LEU A 29 -8.308 3.503 2.743 1.00 0.35 H new ATOM 0 HA LEU A 29 -10.740 2.151 2.383 1.00 0.34 H new ATOM 0 HB2 LEU A 29 -8.162 1.449 3.821 1.00 0.33 H new ATOM 0 HB3 LEU A 29 -9.489 0.316 3.659 1.00 0.33 H new ATOM 0 HG LEU A 29 -8.227 1.694 1.263 1.00 0.35 H new ATOM 0 HD11 LEU A 29 -6.923 -0.426 0.973 1.00 0.39 H new ATOM 0 HD12 LEU A 29 -6.508 0.384 2.502 1.00 0.39 H new ATOM 0 HD13 LEU A 29 -7.587 -1.031 2.510 1.00 0.39 H new ATOM 0 HD21 LEU A 29 -9.186 -0.173 -0.013 1.00 0.44 H new ATOM 0 HD22 LEU A 29 -9.912 -0.820 1.478 1.00 0.44 H new ATOM 0 HD23 LEU A 29 -10.440 0.757 0.842 1.00 0.44 H new ATOM 425 N ALA A 30 -10.088 2.522 5.614 1.00 0.28 N ATOM 426 CA ALA A 30 -10.617 2.589 6.978 1.00 0.31 C ATOM 427 C ALA A 30 -9.541 2.190 7.995 1.00 0.30 C ATOM 428 O ALA A 30 -9.043 3.034 8.728 1.00 0.30 O ATOM 429 CB ALA A 30 -11.819 1.660 7.133 1.00 0.35 C ATOM 0 H ALA A 30 -9.068 2.529 5.603 1.00 0.28 H new ATOM 0 HA ALA A 30 -10.927 3.617 7.165 1.00 0.31 H new ATOM 0 HB1 ALA A 30 -12.199 1.723 8.153 1.00 0.35 H new ATOM 0 HB2 ALA A 30 -12.602 1.958 6.435 1.00 0.35 H new ATOM 0 HB3 ALA A 30 -11.516 0.635 6.922 1.00 0.35 H new ATOM 435 N GLY A 31 -9.206 0.892 8.036 1.00 0.31 N ATOM 436 CA GLY A 31 -8.214 0.280 8.925 1.00 0.30 C ATOM 437 C GLY A 31 -6.967 1.143 9.115 1.00 0.27 C ATOM 438 O GLY A 31 -6.440 1.258 10.219 1.00 0.32 O ATOM 0 H GLY A 31 -9.643 0.208 7.418 1.00 0.31 H new ATOM 0 HA2 GLY A 31 -8.671 0.094 9.897 1.00 0.30 H new ATOM 0 HA3 GLY A 31 -7.920 -0.688 8.520 1.00 0.30 H new ATOM 442 N VAL A 32 -6.442 1.643 7.992 1.00 0.24 N ATOM 443 CA VAL A 32 -5.159 2.293 7.901 1.00 0.23 C ATOM 444 C VAL A 32 -5.146 3.647 8.604 1.00 0.24 C ATOM 445 O VAL A 32 -5.921 4.543 8.281 1.00 0.29 O ATOM 446 CB VAL A 32 -4.652 2.298 6.457 1.00 0.25 C ATOM 447 CG1 VAL A 32 -5.735 2.526 5.415 1.00 0.27 C ATOM 448 CG2 VAL A 32 -3.548 3.329 6.259 1.00 0.33 C ATOM 0 H VAL A 32 -6.928 1.597 7.096 1.00 0.24 H new ATOM 0 HA VAL A 32 -4.427 1.709 8.459 1.00 0.23 H new ATOM 0 HB VAL A 32 -4.262 1.292 6.301 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -5.291 2.515 4.420 1.00 0.27 H new ATOM 0 HG12 VAL A 32 -6.482 1.736 5.488 1.00 0.27 H new ATOM 0 HG13 VAL A 32 -6.210 3.491 5.589 1.00 0.27 H new ATOM 0 HG21 VAL A 32 -3.211 3.306 5.223 1.00 0.33 H new ATOM 0 HG22 VAL A 32 -3.931 4.322 6.494 1.00 0.33 H new ATOM 0 HG23 VAL A 32 -2.711 3.097 6.918 1.00 0.33 H new ATOM 458 N ASN A 33 -4.219 3.770 9.553 1.00 0.25 N ATOM 459 CA ASN A 33 -4.040 4.919 10.419 1.00 0.32 C ATOM 460 C ASN A 33 -2.906 5.780 9.878 1.00 0.35 C ATOM 461 O ASN A 33 -3.095 6.972 9.639 1.00 0.48 O ATOM 462 CB ASN A 33 -3.732 4.407 11.831 1.00 0.41 C ATOM 463 CG ASN A 33 -4.978 3.779 12.454 1.00 0.73 C ATOM 464 OD1 ASN A 33 -6.060 4.354 12.391 1.00 0.99 O ATOM 465 ND2 ASN A 33 -4.864 2.605 13.061 1.00 1.06 N ATOM 0 H ASN A 33 -3.542 3.031 9.743 1.00 0.25 H new ATOM 0 HA ASN A 33 -4.940 5.533 10.454 1.00 0.32 H new ATOM 0 HB2 ASN A 33 -2.928 3.672 11.791 1.00 0.41 H new ATOM 0 HB3 ASN A 33 -3.381 5.229 12.454 1.00 0.41 H new ATOM 0 HD21 ASN A 33 -5.683 2.168 13.484 1.00 1.06 H new ATOM 0 HD22 ASN A 33 -3.957 2.140 13.105 1.00 1.06 H new ATOM 472 N GLN A 34 -1.737 5.170 9.662 1.00 0.28 N ATOM 473 CA GLN A 34 -0.599 5.809 9.018 1.00 0.28 C ATOM 474 C GLN A 34 -0.283 4.979 7.776 1.00 0.28 C ATOM 475 O GLN A 34 -0.290 3.750 7.833 1.00 0.44 O ATOM 476 CB GLN A 34 0.593 5.877 9.986 1.00 0.30 C ATOM 477 CG GLN A 34 1.729 6.784 9.493 1.00 0.35 C ATOM 478 CD GLN A 34 1.614 8.192 10.069 1.00 0.90 C ATOM 479 OE1 GLN A 34 1.167 9.114 9.397 1.00 1.06 O ATOM 480 NE2 GLN A 34 2.020 8.365 11.325 1.00 2.40 N ATOM 0 H GLN A 34 -1.558 4.204 9.936 1.00 0.28 H new ATOM 0 HA GLN A 34 -0.819 6.838 8.734 1.00 0.28 H new ATOM 0 HB2 GLN A 34 0.245 6.237 10.954 1.00 0.30 H new ATOM 0 HB3 GLN A 34 0.983 4.871 10.141 1.00 0.30 H new ATOM 0 HG2 GLN A 34 2.689 6.352 9.776 1.00 0.35 H new ATOM 0 HG3 GLN A 34 1.710 6.833 8.404 1.00 0.35 H new ATOM 0 HE21 GLN A 34 2.387 7.575 11.856 1.00 2.40 H new ATOM 0 HE22 GLN A 34 1.964 9.287 11.757 1.00 2.40 H new ATOM 489 N VAL A 35 -0.040 5.647 6.650 1.00 0.27 N ATOM 490 CA VAL A 35 0.355 5.020 5.404 1.00 0.31 C ATOM 491 C VAL A 35 1.773 5.484 5.072 1.00 0.25 C ATOM 492 O VAL A 35 2.109 6.638 5.332 1.00 0.37 O ATOM 493 CB VAL A 35 -0.664 5.371 4.306 1.00 0.58 C ATOM 494 CG1 VAL A 35 -0.865 6.880 4.105 1.00 1.31 C ATOM 495 CG2 VAL A 35 -0.234 4.748 2.980 1.00 1.97 C ATOM 0 H VAL A 35 -0.116 6.662 6.584 1.00 0.27 H new ATOM 0 HA VAL A 35 0.363 3.933 5.484 1.00 0.31 H new ATOM 0 HB VAL A 35 -1.618 4.964 4.641 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -1.597 7.047 3.315 1.00 1.31 H new ATOM 0 HG12 VAL A 35 -1.224 7.326 5.033 1.00 1.31 H new ATOM 0 HG13 VAL A 35 0.083 7.339 3.824 1.00 1.31 H new ATOM 0 HG21 VAL A 35 -0.960 5.000 2.207 1.00 1.97 H new ATOM 0 HG22 VAL A 35 0.746 5.133 2.698 1.00 1.97 H new ATOM 0 HG23 VAL A 35 -0.180 3.665 3.087 1.00 1.97 H new ATOM 505 N GLN A 36 2.599 4.600 4.508 1.00 0.22 N ATOM 506 CA GLN A 36 3.938 4.930 4.054 1.00 0.27 C ATOM 507 C GLN A 36 4.250 4.103 2.803 1.00 0.25 C ATOM 508 O GLN A 36 4.786 3.000 2.898 1.00 0.27 O ATOM 509 CB GLN A 36 4.932 4.645 5.186 1.00 0.31 C ATOM 510 CG GLN A 36 6.370 5.043 4.811 1.00 0.40 C ATOM 511 CD GLN A 36 7.378 4.055 5.385 1.00 0.82 C ATOM 512 OE1 GLN A 36 8.170 3.462 4.660 1.00 2.35 O ATOM 513 NE2 GLN A 36 7.345 3.847 6.696 1.00 0.67 N ATOM 0 H GLN A 36 2.347 3.624 4.355 1.00 0.22 H new ATOM 0 HA GLN A 36 4.016 5.986 3.794 1.00 0.27 H new ATOM 0 HB2 GLN A 36 4.628 5.189 6.080 1.00 0.31 H new ATOM 0 HB3 GLN A 36 4.903 3.584 5.434 1.00 0.31 H new ATOM 0 HG2 GLN A 36 6.469 5.080 3.726 1.00 0.40 H new ATOM 0 HG3 GLN A 36 6.583 6.044 5.185 1.00 0.40 H new ATOM 0 HE21 GLN A 36 6.676 4.354 7.276 1.00 0.67 H new ATOM 0 HE22 GLN A 36 7.988 3.181 7.123 1.00 0.67 H new ATOM 522 N VAL A 37 3.945 4.647 1.622 1.00 0.29 N ATOM 523 CA VAL A 37 4.242 4.004 0.355 1.00 0.32 C ATOM 524 C VAL A 37 5.568 4.559 -0.179 1.00 0.35 C ATOM 525 O VAL A 37 5.638 5.714 -0.594 1.00 0.52 O ATOM 526 CB VAL A 37 3.038 4.115 -0.605 1.00 0.56 C ATOM 527 CG1 VAL A 37 1.716 3.975 0.155 1.00 1.77 C ATOM 528 CG2 VAL A 37 2.972 5.382 -1.453 1.00 1.26 C ATOM 0 H VAL A 37 3.483 5.551 1.526 1.00 0.29 H new ATOM 0 HA VAL A 37 4.389 2.930 0.474 1.00 0.32 H new ATOM 0 HB VAL A 37 3.195 3.290 -1.300 1.00 0.56 H new ATOM 0 HG11 VAL A 37 0.884 4.057 -0.544 1.00 1.77 H new ATOM 0 HG12 VAL A 37 1.681 3.004 0.648 1.00 1.77 H new ATOM 0 HG13 VAL A 37 1.641 4.765 0.903 1.00 1.77 H new ATOM 0 HG21 VAL A 37 2.086 5.350 -2.087 1.00 1.26 H new ATOM 0 HG22 VAL A 37 2.920 6.254 -0.801 1.00 1.26 H new ATOM 0 HG23 VAL A 37 3.863 5.449 -2.077 1.00 1.26 H new ATOM 538 N LEU A 38 6.643 3.762 -0.130 1.00 0.29 N ATOM 539 CA LEU A 38 7.945 4.175 -0.621 1.00 0.33 C ATOM 540 C LEU A 38 8.118 3.581 -2.018 1.00 0.34 C ATOM 541 O LEU A 38 8.589 2.456 -2.206 1.00 0.39 O ATOM 542 CB LEU A 38 9.053 3.790 0.370 1.00 0.35 C ATOM 543 CG LEU A 38 10.428 4.283 -0.103 1.00 0.44 C ATOM 544 CD1 LEU A 38 10.519 5.813 -0.197 1.00 0.66 C ATOM 545 CD2 LEU A 38 11.514 3.777 0.852 1.00 0.52 C ATOM 0 H LEU A 38 6.625 2.816 0.252 1.00 0.29 H new ATOM 0 HA LEU A 38 8.018 5.260 -0.702 1.00 0.33 H new ATOM 0 HB2 LEU A 38 8.830 4.214 1.349 1.00 0.35 H new ATOM 0 HB3 LEU A 38 9.075 2.707 0.490 1.00 0.35 H new ATOM 0 HG LEU A 38 10.575 3.885 -1.107 1.00 0.44 H new ATOM 0 HD11 LEU A 38 11.515 6.098 -0.537 1.00 0.66 H new ATOM 0 HD12 LEU A 38 9.776 6.179 -0.905 1.00 0.66 H new ATOM 0 HD13 LEU A 38 10.331 6.250 0.784 1.00 0.66 H new ATOM 0 HD21 LEU A 38 12.489 4.129 0.514 1.00 0.52 H new ATOM 0 HD22 LEU A 38 11.320 4.155 1.856 1.00 0.52 H new ATOM 0 HD23 LEU A 38 11.506 2.687 0.867 1.00 0.52 H new ATOM 557 N PHE A 39 7.684 4.367 -3.000 1.00 0.33 N ATOM 558 CA PHE A 39 7.874 4.076 -4.409 1.00 0.35 C ATOM 559 C PHE A 39 9.363 4.047 -4.760 1.00 0.38 C ATOM 560 O PHE A 39 10.210 4.376 -3.929 1.00 0.40 O ATOM 561 CB PHE A 39 7.132 5.131 -5.231 1.00 0.41 C ATOM 562 CG PHE A 39 7.849 6.458 -5.383 1.00 0.26 C ATOM 563 CD1 PHE A 39 7.763 7.462 -4.399 1.00 1.74 C ATOM 564 CD2 PHE A 39 8.603 6.687 -6.547 1.00 1.83 C ATOM 565 CE1 PHE A 39 8.325 8.727 -4.643 1.00 1.77 C ATOM 566 CE2 PHE A 39 9.150 7.951 -6.799 1.00 1.88 C ATOM 567 CZ PHE A 39 8.971 8.983 -5.866 1.00 0.55 C ATOM 0 H PHE A 39 7.182 5.239 -2.830 1.00 0.33 H new ATOM 0 HA PHE A 39 7.470 3.090 -4.640 1.00 0.35 H new ATOM 0 HB2 PHE A 39 6.940 4.725 -6.224 1.00 0.41 H new ATOM 0 HB3 PHE A 39 6.162 5.312 -4.768 1.00 0.41 H new ATOM 0 HD1 PHE A 39 7.267 7.261 -3.461 1.00 1.74 H new ATOM 0 HD2 PHE A 39 8.761 5.883 -7.251 1.00 1.83 H new ATOM 0 HE1 PHE A 39 8.261 9.501 -3.893 1.00 1.77 H new ATOM 0 HE2 PHE A 39 9.707 8.130 -7.707 1.00 1.88 H new ATOM 0 HZ PHE A 39 9.330 9.977 -6.087 1.00 0.55 H new ATOM 577 N ALA A 40 9.673 3.664 -6.002 1.00 0.43 N ATOM 578 CA ALA A 40 11.023 3.509 -6.526 1.00 0.46 C ATOM 579 C ALA A 40 11.682 2.302 -5.866 1.00 0.52 C ATOM 580 O ALA A 40 11.874 1.282 -6.516 1.00 0.86 O ATOM 581 CB ALA A 40 11.852 4.797 -6.414 1.00 0.46 C ATOM 0 H ALA A 40 8.957 3.446 -6.694 1.00 0.43 H new ATOM 0 HA ALA A 40 10.967 3.319 -7.598 1.00 0.46 H new ATOM 0 HB1 ALA A 40 12.849 4.624 -6.819 1.00 0.46 H new ATOM 0 HB2 ALA A 40 11.365 5.593 -6.976 1.00 0.46 H new ATOM 0 HB3 ALA A 40 11.931 5.089 -5.367 1.00 0.46 H new ATOM 587 N THR A 41 11.933 2.368 -4.558 1.00 0.41 N ATOM 588 CA THR A 41 12.390 1.242 -3.750 1.00 0.42 C ATOM 589 C THR A 41 11.204 0.320 -3.408 1.00 0.41 C ATOM 590 O THR A 41 11.038 -0.060 -2.252 1.00 1.08 O ATOM 591 CB THR A 41 13.082 1.800 -2.493 1.00 0.65 C ATOM 592 OG1 THR A 41 13.844 2.941 -2.837 1.00 1.33 O ATOM 593 CG2 THR A 41 14.023 0.778 -1.848 1.00 0.99 C ATOM 0 H THR A 41 11.821 3.227 -4.020 1.00 0.41 H new ATOM 0 HA THR A 41 13.109 0.634 -4.300 1.00 0.42 H new ATOM 0 HB THR A 41 12.296 2.049 -1.780 1.00 0.65 H new ATOM 0 HG1 THR A 41 14.282 3.296 -2.035 1.00 1.33 H new ATOM 0 HG21 THR A 41 14.488 1.218 -0.965 1.00 0.99 H new ATOM 0 HG22 THR A 41 13.456 -0.106 -1.557 1.00 0.99 H new ATOM 0 HG23 THR A 41 14.796 0.494 -2.562 1.00 0.99 H new ATOM 601 N GLU A 42 10.386 0.019 -4.426 1.00 0.45 N ATOM 602 CA GLU A 42 9.212 -0.848 -4.493 1.00 0.45 C ATOM 603 C GLU A 42 8.641 -1.396 -3.176 1.00 0.36 C ATOM 604 O GLU A 42 8.325 -2.585 -3.133 1.00 0.49 O ATOM 605 CB GLU A 42 9.526 -1.971 -5.492 1.00 0.83 C ATOM 606 CG GLU A 42 10.750 -2.800 -5.090 1.00 1.66 C ATOM 607 CD GLU A 42 12.044 -2.306 -5.724 1.00 2.76 C ATOM 608 OE1 GLU A 42 12.182 -2.521 -6.947 1.00 2.98 O ATOM 609 OE2 GLU A 42 12.868 -1.743 -4.971 1.00 4.27 O ATOM 0 H GLU A 42 10.561 0.436 -5.340 1.00 0.45 H new ATOM 0 HA GLU A 42 8.391 -0.210 -4.819 1.00 0.45 H new ATOM 0 HB2 GLU A 42 8.660 -2.628 -5.577 1.00 0.83 H new ATOM 0 HB3 GLU A 42 9.695 -1.537 -6.478 1.00 0.83 H new ATOM 0 HG2 GLU A 42 10.854 -2.780 -4.005 1.00 1.66 H new ATOM 0 HG3 GLU A 42 10.587 -3.839 -5.376 1.00 1.66 H new ATOM 616 N LYS A 43 8.399 -0.585 -2.137 1.00 0.24 N ATOM 617 CA LYS A 43 7.887 -1.123 -0.883 1.00 0.31 C ATOM 618 C LYS A 43 6.985 -0.128 -0.214 1.00 0.39 C ATOM 619 O LYS A 43 7.286 1.054 -0.081 1.00 0.59 O ATOM 620 CB LYS A 43 9.005 -1.600 0.053 1.00 0.46 C ATOM 621 CG LYS A 43 8.636 -1.925 1.502 1.00 1.22 C ATOM 622 CD LYS A 43 8.545 -0.669 2.388 1.00 0.72 C ATOM 623 CE LYS A 43 9.125 -0.924 3.785 1.00 1.33 C ATOM 624 NZ LYS A 43 10.602 -0.977 3.767 1.00 2.34 N ATOM 0 H LYS A 43 8.548 0.424 -2.144 1.00 0.24 H new ATOM 0 HA LYS A 43 7.299 -2.009 -1.123 1.00 0.31 H new ATOM 0 HB2 LYS A 43 9.451 -2.492 -0.387 1.00 0.46 H new ATOM 0 HB3 LYS A 43 9.778 -0.832 0.069 1.00 0.46 H new ATOM 0 HG2 LYS A 43 7.680 -2.448 1.521 1.00 1.22 H new ATOM 0 HG3 LYS A 43 9.379 -2.605 1.918 1.00 1.22 H new ATOM 0 HD2 LYS A 43 9.083 0.152 1.914 1.00 0.72 H new ATOM 0 HD3 LYS A 43 7.504 -0.359 2.476 1.00 0.72 H new ATOM 0 HE2 LYS A 43 8.798 -0.136 4.463 1.00 1.33 H new ATOM 0 HE3 LYS A 43 8.733 -1.863 4.175 1.00 1.33 H new ATOM 0 HZ1 LYS A 43 10.941 -1.501 4.599 1.00 2.34 H new ATOM 0 HZ2 LYS A 43 10.922 -1.457 2.902 1.00 2.34 H new ATOM 0 HZ3 LYS A 43 10.984 -0.010 3.788 1.00 2.34 H new ATOM 638 N LEU A 44 5.862 -0.648 0.246 1.00 0.30 N ATOM 639 CA LEU A 44 4.852 0.103 0.909 1.00 0.28 C ATOM 640 C LEU A 44 4.669 -0.573 2.255 1.00 0.20 C ATOM 641 O LEU A 44 4.807 -1.788 2.348 1.00 0.26 O ATOM 642 CB LEU A 44 3.673 0.107 -0.063 1.00 0.35 C ATOM 643 CG LEU A 44 2.361 -0.407 0.453 1.00 0.42 C ATOM 644 CD1 LEU A 44 1.879 0.427 1.624 1.00 0.53 C ATOM 645 CD2 LEU A 44 1.393 -0.320 -0.718 1.00 0.66 C ATOM 0 H LEU A 44 5.636 -1.639 0.157 1.00 0.30 H new ATOM 0 HA LEU A 44 5.048 1.150 1.141 1.00 0.28 H new ATOM 0 HB2 LEU A 44 3.523 1.130 -0.409 1.00 0.35 H new ATOM 0 HB3 LEU A 44 3.950 -0.487 -0.934 1.00 0.35 H new ATOM 0 HG LEU A 44 2.447 -1.430 0.820 1.00 0.42 H new ATOM 0 HD11 LEU A 44 0.926 0.036 1.982 1.00 0.53 H new ATOM 0 HD12 LEU A 44 2.614 0.384 2.428 1.00 0.53 H new ATOM 0 HD13 LEU A 44 1.750 1.461 1.305 1.00 0.53 H new ATOM 0 HD21 LEU A 44 0.413 -0.682 -0.407 1.00 0.66 H new ATOM 0 HD22 LEU A 44 1.310 0.716 -1.046 1.00 0.66 H new ATOM 0 HD23 LEU A 44 1.762 -0.932 -1.541 1.00 0.66 H new ATOM 657 N VAL A 45 4.461 0.231 3.291 1.00 0.25 N ATOM 658 CA VAL A 45 4.177 -0.112 4.661 1.00 0.20 C ATOM 659 C VAL A 45 2.911 0.652 5.030 1.00 0.20 C ATOM 660 O VAL A 45 2.713 1.791 4.599 1.00 0.22 O ATOM 661 CB VAL A 45 5.373 0.259 5.556 1.00 0.28 C ATOM 662 CG1 VAL A 45 4.950 0.697 6.960 1.00 0.27 C ATOM 663 CG2 VAL A 45 6.305 -0.948 5.667 1.00 0.40 C ATOM 0 H VAL A 45 4.493 1.243 3.168 1.00 0.25 H new ATOM 0 HA VAL A 45 4.020 -1.182 4.800 1.00 0.20 H new ATOM 0 HB VAL A 45 5.878 1.106 5.091 1.00 0.28 H new ATOM 0 HG11 VAL A 45 5.835 0.946 7.546 1.00 0.27 H new ATOM 0 HG12 VAL A 45 4.304 1.572 6.889 1.00 0.27 H new ATOM 0 HG13 VAL A 45 4.409 -0.115 7.447 1.00 0.27 H new ATOM 0 HG21 VAL A 45 7.156 -0.694 6.300 1.00 0.40 H new ATOM 0 HG22 VAL A 45 5.764 -1.786 6.106 1.00 0.40 H new ATOM 0 HG23 VAL A 45 6.661 -1.225 4.675 1.00 0.40 H new ATOM 673 N VAL A 46 2.046 0.000 5.798 1.00 0.25 N ATOM 674 CA VAL A 46 0.771 0.537 6.233 1.00 0.21 C ATOM 675 C VAL A 46 0.598 0.116 7.680 1.00 0.20 C ATOM 676 O VAL A 46 0.745 -1.072 7.966 1.00 0.35 O ATOM 677 CB VAL A 46 -0.332 -0.062 5.353 1.00 0.37 C ATOM 678 CG1 VAL A 46 -1.707 0.070 5.990 1.00 0.68 C ATOM 679 CG2 VAL A 46 -0.417 0.610 3.983 1.00 0.46 C ATOM 0 H VAL A 46 2.221 -0.944 6.143 1.00 0.25 H new ATOM 0 HA VAL A 46 0.723 1.623 6.149 1.00 0.21 H new ATOM 0 HB VAL A 46 -0.057 -1.111 5.243 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -2.457 -0.368 5.331 1.00 0.68 H new ATOM 0 HG12 VAL A 46 -1.716 -0.451 6.947 1.00 0.68 H new ATOM 0 HG13 VAL A 46 -1.935 1.124 6.149 1.00 0.68 H new ATOM 0 HG21 VAL A 46 -1.214 0.148 3.400 1.00 0.46 H new ATOM 0 HG22 VAL A 46 -0.629 1.671 4.111 1.00 0.46 H new ATOM 0 HG23 VAL A 46 0.532 0.490 3.460 1.00 0.46 H new ATOM 689 N ASP A 47 0.275 1.067 8.555 1.00 0.19 N ATOM 690 CA ASP A 47 -0.005 0.853 9.959 1.00 0.26 C ATOM 691 C ASP A 47 -1.518 0.864 10.067 1.00 0.30 C ATOM 692 O ASP A 47 -2.138 1.908 9.831 1.00 0.39 O ATOM 693 CB ASP A 47 0.648 1.962 10.784 1.00 0.39 C ATOM 694 CG ASP A 47 2.168 1.846 10.839 1.00 0.81 C ATOM 695 OD1 ASP A 47 2.800 1.983 9.767 1.00 1.78 O ATOM 696 OD2 ASP A 47 2.680 1.626 11.956 1.00 1.69 O ATOM 0 H ASP A 47 0.200 2.048 8.285 1.00 0.19 H new ATOM 0 HA ASP A 47 0.397 -0.085 10.342 1.00 0.26 H new ATOM 0 HB2 ASP A 47 0.378 2.929 10.361 1.00 0.39 H new ATOM 0 HB3 ASP A 47 0.250 1.935 11.798 1.00 0.39 H new ATOM 701 N ALA A 48 -2.118 -0.303 10.324 1.00 0.32 N ATOM 702 CA ALA A 48 -3.568 -0.445 10.302 1.00 0.39 C ATOM 703 C ALA A 48 -4.055 -1.399 11.372 1.00 0.74 C ATOM 704 O ALA A 48 -3.826 -2.613 11.318 1.00 1.26 O ATOM 705 CB ALA A 48 -4.080 -0.900 8.945 1.00 0.48 C ATOM 0 H ALA A 48 -1.616 -1.162 10.550 1.00 0.32 H new ATOM 0 HA ALA A 48 -3.970 0.548 10.506 1.00 0.39 H new ATOM 0 HB1 ALA A 48 -5.166 -0.992 8.978 1.00 0.48 H new ATOM 0 HB2 ALA A 48 -3.800 -0.169 8.187 1.00 0.48 H new ATOM 0 HB3 ALA A 48 -3.642 -1.866 8.696 1.00 0.48 H new ATOM 711 N ASP A 49 -4.786 -0.830 12.321 1.00 0.56 N ATOM 712 CA ASP A 49 -5.040 -1.463 13.594 1.00 0.69 C ATOM 713 C ASP A 49 -6.494 -1.905 13.615 1.00 0.58 C ATOM 714 O ASP A 49 -7.287 -1.536 14.476 1.00 0.64 O ATOM 715 CB ASP A 49 -4.607 -0.489 14.691 1.00 0.88 C ATOM 716 CG ASP A 49 -3.168 -0.057 14.425 1.00 1.62 C ATOM 717 OD1 ASP A 49 -2.316 -0.970 14.371 1.00 2.62 O ATOM 718 OD2 ASP A 49 -2.960 1.148 14.166 1.00 2.44 O ATOM 0 H ASP A 49 -5.219 0.088 12.222 1.00 0.56 H new ATOM 0 HA ASP A 49 -4.463 -2.371 13.768 1.00 0.69 H new ATOM 0 HB2 ASP A 49 -5.265 0.380 14.706 1.00 0.88 H new ATOM 0 HB3 ASP A 49 -4.684 -0.964 15.669 1.00 0.88 H new ATOM 723 N ASN A 50 -6.807 -2.730 12.615 1.00 0.57 N ATOM 724 CA ASN A 50 -8.061 -3.447 12.456 1.00 0.54 C ATOM 725 C ASN A 50 -7.722 -4.717 11.689 1.00 0.69 C ATOM 726 O ASN A 50 -7.693 -5.792 12.277 1.00 1.48 O ATOM 727 CB ASN A 50 -9.092 -2.582 11.713 1.00 0.60 C ATOM 728 CG ASN A 50 -10.350 -3.371 11.344 1.00 1.77 C ATOM 729 OD1 ASN A 50 -11.299 -3.408 12.117 1.00 2.32 O ATOM 730 ND2 ASN A 50 -10.404 -3.992 10.164 1.00 2.60 N ATOM 0 H ASN A 50 -6.153 -2.922 11.856 1.00 0.57 H new ATOM 0 HA ASN A 50 -8.515 -3.689 13.417 1.00 0.54 H new ATOM 0 HB2 ASN A 50 -9.368 -1.732 12.337 1.00 0.60 H new ATOM 0 HB3 ASN A 50 -8.640 -2.178 10.807 1.00 0.60 H new ATOM 0 HD21 ASN A 50 -11.243 -4.506 9.896 1.00 2.60 H new ATOM 0 HD22 ASN A 50 -9.606 -3.953 9.530 1.00 2.60 H new ATOM 737 N ASP A 51 -7.411 -4.517 10.401 1.00 0.40 N ATOM 738 CA ASP A 51 -6.961 -5.435 9.362 1.00 0.43 C ATOM 739 C ASP A 51 -7.517 -4.883 8.055 1.00 0.39 C ATOM 740 O ASP A 51 -8.735 -4.761 7.909 1.00 0.75 O ATOM 741 CB ASP A 51 -7.447 -6.876 9.509 1.00 0.63 C ATOM 742 CG ASP A 51 -6.686 -7.836 8.590 1.00 0.95 C ATOM 743 OD1 ASP A 51 -5.793 -7.389 7.833 1.00 2.32 O ATOM 744 OD2 ASP A 51 -6.928 -9.057 8.685 1.00 1.81 O ATOM 0 H ASP A 51 -7.482 -3.574 10.019 1.00 0.40 H new ATOM 0 HA ASP A 51 -5.874 -5.489 9.415 1.00 0.43 H new ATOM 0 HB2 ASP A 51 -7.328 -7.195 10.545 1.00 0.63 H new ATOM 0 HB3 ASP A 51 -8.512 -6.924 9.281 1.00 0.63 H new ATOM 749 N ILE A 52 -6.630 -4.474 7.155 1.00 0.34 N ATOM 750 CA ILE A 52 -6.967 -3.990 5.819 1.00 0.32 C ATOM 751 C ILE A 52 -5.923 -4.322 4.771 1.00 0.37 C ATOM 752 O ILE A 52 -6.172 -4.052 3.613 1.00 0.24 O ATOM 753 CB ILE A 52 -7.154 -2.472 5.788 1.00 0.29 C ATOM 754 CG1 ILE A 52 -5.979 -1.754 6.457 1.00 0.32 C ATOM 755 CG2 ILE A 52 -8.491 -2.041 6.366 1.00 0.31 C ATOM 756 CD1 ILE A 52 -4.824 -1.534 5.488 1.00 0.39 C ATOM 0 H ILE A 52 -5.627 -4.469 7.339 1.00 0.34 H new ATOM 0 HA ILE A 52 -7.897 -4.506 5.582 1.00 0.32 H new ATOM 0 HB ILE A 52 -7.166 -2.172 4.740 1.00 0.29 H new ATOM 0 HG12 ILE A 52 -6.315 -0.793 6.847 1.00 0.32 H new ATOM 0 HG13 ILE A 52 -5.632 -2.340 7.309 1.00 0.32 H new ATOM 0 HG21 ILE A 52 -8.574 -0.955 6.321 1.00 0.31 H new ATOM 0 HG22 ILE A 52 -9.299 -2.491 5.789 1.00 0.31 H new ATOM 0 HG23 ILE A 52 -8.561 -2.367 7.404 1.00 0.31 H new ATOM 0 HD11 ILE A 52 -4.011 -1.022 6.002 1.00 0.39 H new ATOM 0 HD12 ILE A 52 -4.471 -2.497 5.119 1.00 0.39 H new ATOM 0 HD13 ILE A 52 -5.163 -0.926 4.649 1.00 0.39 H new ATOM 768 N ARG A 53 -4.743 -4.836 5.098 1.00 0.70 N ATOM 769 CA ARG A 53 -3.763 -5.255 4.103 1.00 0.51 C ATOM 770 C ARG A 53 -4.391 -6.020 2.936 1.00 0.34 C ATOM 771 O ARG A 53 -4.053 -5.769 1.786 1.00 0.25 O ATOM 772 CB ARG A 53 -2.683 -6.118 4.757 1.00 0.56 C ATOM 773 CG ARG A 53 -3.332 -6.921 5.871 1.00 0.63 C ATOM 774 CD ARG A 53 -2.886 -8.353 5.933 1.00 1.28 C ATOM 775 NE ARG A 53 -3.780 -9.002 6.919 1.00 1.73 N ATOM 776 CZ ARG A 53 -4.024 -10.312 7.047 1.00 2.33 C ATOM 777 NH1 ARG A 53 -3.236 -11.191 6.420 1.00 2.55 N ATOM 778 NH2 ARG A 53 -5.060 -10.730 7.782 1.00 2.88 N ATOM 0 H ARG A 53 -4.438 -4.974 6.062 1.00 0.70 H new ATOM 0 HA ARG A 53 -3.322 -4.345 3.696 1.00 0.51 H new ATOM 0 HB2 ARG A 53 -2.230 -6.783 4.022 1.00 0.56 H new ATOM 0 HB3 ARG A 53 -1.884 -5.492 5.155 1.00 0.56 H new ATOM 0 HG2 ARG A 53 -3.113 -6.442 6.825 1.00 0.63 H new ATOM 0 HG3 ARG A 53 -4.414 -6.894 5.741 1.00 0.63 H new ATOM 0 HD2 ARG A 53 -2.965 -8.831 4.957 1.00 1.28 H new ATOM 0 HD3 ARG A 53 -1.843 -8.426 6.241 1.00 1.28 H new ATOM 0 HE ARG A 53 -4.262 -8.384 7.571 1.00 1.73 H new ATOM 0 HH11 ARG A 53 -2.457 -10.862 5.850 1.00 2.55 H new ATOM 0 HH12 ARG A 53 -3.414 -12.191 6.511 1.00 2.55 H new ATOM 0 HH21 ARG A 53 -5.664 -10.051 8.245 1.00 2.88 H new ATOM 0 HH22 ARG A 53 -5.246 -11.728 7.880 1.00 2.88 H new ATOM 792 N ALA A 54 -5.323 -6.928 3.225 1.00 0.43 N ATOM 793 CA ALA A 54 -6.024 -7.682 2.201 1.00 0.40 C ATOM 794 C ALA A 54 -6.968 -6.788 1.375 1.00 0.32 C ATOM 795 O ALA A 54 -7.249 -7.081 0.216 1.00 0.51 O ATOM 796 CB ALA A 54 -6.691 -8.885 2.851 1.00 0.56 C ATOM 0 H ALA A 54 -5.609 -7.157 4.177 1.00 0.43 H new ATOM 0 HA ALA A 54 -5.320 -8.065 1.462 1.00 0.40 H new ATOM 0 HB1 ALA A 54 -7.222 -9.461 2.093 1.00 0.56 H new ATOM 0 HB2 ALA A 54 -5.933 -9.513 3.319 1.00 0.56 H new ATOM 0 HB3 ALA A 54 -7.397 -8.544 3.608 1.00 0.56 H new ATOM 802 N GLN A 55 -7.406 -5.654 1.931 1.00 0.26 N ATOM 803 CA GLN A 55 -7.967 -4.557 1.158 1.00 0.23 C ATOM 804 C GLN A 55 -6.886 -3.828 0.359 1.00 0.23 C ATOM 805 O GLN A 55 -7.081 -3.593 -0.828 1.00 0.31 O ATOM 806 CB GLN A 55 -8.791 -3.574 2.005 1.00 0.40 C ATOM 807 CG GLN A 55 -10.230 -4.041 2.267 1.00 0.63 C ATOM 808 CD GLN A 55 -10.332 -5.012 3.440 1.00 1.42 C ATOM 809 OE1 GLN A 55 -9.969 -6.177 3.332 1.00 3.19 O ATOM 810 NE2 GLN A 55 -10.840 -4.541 4.576 1.00 0.98 N ATOM 0 H GLN A 55 -7.378 -5.477 2.935 1.00 0.26 H new ATOM 0 HA GLN A 55 -8.665 -5.011 0.455 1.00 0.23 H new ATOM 0 HB2 GLN A 55 -8.288 -3.421 2.960 1.00 0.40 H new ATOM 0 HB3 GLN A 55 -8.818 -2.608 1.501 1.00 0.40 H new ATOM 0 HG2 GLN A 55 -10.859 -3.173 2.464 1.00 0.63 H new ATOM 0 HG3 GLN A 55 -10.621 -4.520 1.369 1.00 0.63 H new ATOM 0 HE21 GLN A 55 -11.134 -3.566 4.638 1.00 0.98 H new ATOM 0 HE22 GLN A 55 -10.935 -5.155 5.385 1.00 0.98 H new ATOM 819 N VAL A 56 -5.771 -3.445 0.987 1.00 0.22 N ATOM 820 CA VAL A 56 -4.702 -2.684 0.354 1.00 0.23 C ATOM 821 C VAL A 56 -4.264 -3.376 -0.925 1.00 0.23 C ATOM 822 O VAL A 56 -4.231 -2.774 -1.994 1.00 0.23 O ATOM 823 CB VAL A 56 -3.494 -2.512 1.260 1.00 0.27 C ATOM 824 CG1 VAL A 56 -2.340 -1.861 0.483 1.00 0.29 C ATOM 825 CG2 VAL A 56 -3.875 -1.658 2.462 1.00 0.34 C ATOM 0 H VAL A 56 -5.587 -3.661 1.967 1.00 0.22 H new ATOM 0 HA VAL A 56 -5.102 -1.693 0.138 1.00 0.23 H new ATOM 0 HB VAL A 56 -3.164 -3.490 1.611 1.00 0.27 H new ATOM 0 HG11 VAL A 56 -1.479 -1.742 1.141 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -2.067 -2.494 -0.361 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -2.654 -0.884 0.116 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -3.008 -1.536 3.111 1.00 0.34 H new ATOM 0 HG22 VAL A 56 -4.214 -0.680 2.121 1.00 0.34 H new ATOM 0 HG23 VAL A 56 -4.677 -2.147 3.016 1.00 0.34 H new ATOM 835 N GLU A 57 -3.896 -4.646 -0.793 1.00 0.25 N ATOM 836 CA GLU A 57 -3.372 -5.428 -1.886 1.00 0.26 C ATOM 837 C GLU A 57 -4.376 -5.461 -3.034 1.00 0.28 C ATOM 838 O GLU A 57 -4.038 -5.146 -4.176 1.00 0.32 O ATOM 839 CB GLU A 57 -2.900 -6.777 -1.330 1.00 0.32 C ATOM 840 CG GLU A 57 -3.974 -7.663 -0.698 1.00 0.78 C ATOM 841 CD GLU A 57 -4.469 -8.767 -1.626 1.00 1.64 C ATOM 842 OE1 GLU A 57 -5.307 -8.451 -2.497 1.00 2.98 O ATOM 843 OE2 GLU A 57 -3.988 -9.905 -1.451 1.00 2.19 O ATOM 0 H GLU A 57 -3.957 -5.158 0.087 1.00 0.25 H new ATOM 0 HA GLU A 57 -2.488 -4.983 -2.342 1.00 0.26 H new ATOM 0 HB2 GLU A 57 -2.429 -7.335 -2.140 1.00 0.32 H new ATOM 0 HB3 GLU A 57 -2.129 -6.588 -0.583 1.00 0.32 H new ATOM 0 HG2 GLU A 57 -3.575 -8.114 0.211 1.00 0.78 H new ATOM 0 HG3 GLU A 57 -4.819 -7.042 -0.401 1.00 0.78 H new ATOM 850 N SER A 58 -5.640 -5.705 -2.699 1.00 0.32 N ATOM 851 CA SER A 58 -6.718 -5.663 -3.660 1.00 0.35 C ATOM 852 C SER A 58 -6.822 -4.264 -4.268 1.00 0.32 C ATOM 853 O SER A 58 -7.059 -4.138 -5.464 1.00 0.34 O ATOM 854 CB SER A 58 -8.033 -6.107 -3.004 1.00 0.39 C ATOM 855 OG SER A 58 -8.817 -6.814 -3.950 1.00 0.95 O ATOM 0 H SER A 58 -5.937 -5.937 -1.751 1.00 0.32 H new ATOM 0 HA SER A 58 -6.510 -6.360 -4.472 1.00 0.35 H new ATOM 0 HB2 SER A 58 -7.826 -6.740 -2.141 1.00 0.39 H new ATOM 0 HB3 SER A 58 -8.581 -5.239 -2.638 1.00 0.39 H new ATOM 0 HG SER A 58 -9.725 -6.932 -3.600 1.00 0.95 H new ATOM 861 N ALA A 59 -6.655 -3.214 -3.461 1.00 0.31 N ATOM 862 CA ALA A 59 -6.805 -1.829 -3.894 1.00 0.34 C ATOM 863 C ALA A 59 -5.738 -1.499 -4.932 1.00 0.31 C ATOM 864 O ALA A 59 -6.049 -1.012 -6.015 1.00 0.33 O ATOM 865 CB ALA A 59 -6.740 -0.865 -2.703 1.00 0.39 C ATOM 0 H ALA A 59 -6.408 -3.306 -2.476 1.00 0.31 H new ATOM 0 HA ALA A 59 -7.787 -1.708 -4.350 1.00 0.34 H new ATOM 0 HB1 ALA A 59 -6.855 0.159 -3.057 1.00 0.39 H new ATOM 0 HB2 ALA A 59 -7.541 -1.098 -2.002 1.00 0.39 H new ATOM 0 HB3 ALA A 59 -5.778 -0.970 -2.202 1.00 0.39 H new ATOM 871 N LEU A 60 -4.480 -1.801 -4.615 1.00 0.28 N ATOM 872 CA LEU A 60 -3.366 -1.682 -5.541 1.00 0.26 C ATOM 873 C LEU A 60 -3.639 -2.497 -6.802 1.00 0.23 C ATOM 874 O LEU A 60 -3.452 -2.010 -7.915 1.00 0.27 O ATOM 875 CB LEU A 60 -2.070 -2.140 -4.856 1.00 0.29 C ATOM 876 CG LEU A 60 -1.284 -0.939 -4.310 1.00 0.39 C ATOM 877 CD1 LEU A 60 -2.062 -0.253 -3.183 1.00 0.46 C ATOM 878 CD2 LEU A 60 0.088 -1.365 -3.789 1.00 0.61 C ATOM 0 H LEU A 60 -4.207 -2.140 -3.693 1.00 0.28 H new ATOM 0 HA LEU A 60 -3.250 -0.639 -5.834 1.00 0.26 H new ATOM 0 HB2 LEU A 60 -2.307 -2.825 -4.042 1.00 0.29 H new ATOM 0 HB3 LEU A 60 -1.453 -2.690 -5.567 1.00 0.29 H new ATOM 0 HG LEU A 60 -1.145 -0.239 -5.134 1.00 0.39 H new ATOM 0 HD11 LEU A 60 -1.489 0.595 -2.809 1.00 0.46 H new ATOM 0 HD12 LEU A 60 -3.022 0.097 -3.564 1.00 0.46 H new ATOM 0 HD13 LEU A 60 -2.230 -0.962 -2.373 1.00 0.46 H new ATOM 0 HD21 LEU A 60 0.620 -0.493 -3.409 1.00 0.61 H new ATOM 0 HD22 LEU A 60 -0.037 -2.092 -2.986 1.00 0.61 H new ATOM 0 HD23 LEU A 60 0.661 -1.815 -4.599 1.00 0.61 H new ATOM 890 N GLN A 61 -4.086 -3.741 -6.645 1.00 0.24 N ATOM 891 CA GLN A 61 -4.354 -4.609 -7.775 1.00 0.31 C ATOM 892 C GLN A 61 -5.453 -4.029 -8.672 1.00 0.37 C ATOM 893 O GLN A 61 -5.329 -4.043 -9.893 1.00 0.44 O ATOM 894 CB GLN A 61 -4.661 -6.008 -7.240 1.00 0.33 C ATOM 895 CG GLN A 61 -4.834 -7.013 -8.375 1.00 0.50 C ATOM 896 CD GLN A 61 -4.686 -8.438 -7.862 1.00 1.02 C ATOM 897 OE1 GLN A 61 -5.664 -9.167 -7.736 1.00 1.48 O ATOM 898 NE2 GLN A 61 -3.454 -8.839 -7.557 1.00 1.33 N ATOM 0 H GLN A 61 -4.269 -4.167 -5.737 1.00 0.24 H new ATOM 0 HA GLN A 61 -3.481 -4.683 -8.423 1.00 0.31 H new ATOM 0 HB2 GLN A 61 -3.854 -6.333 -6.584 1.00 0.33 H new ATOM 0 HB3 GLN A 61 -5.569 -5.978 -6.637 1.00 0.33 H new ATOM 0 HG2 GLN A 61 -5.815 -6.886 -8.832 1.00 0.50 H new ATOM 0 HG3 GLN A 61 -4.093 -6.822 -9.152 1.00 0.50 H new ATOM 0 HE21 GLN A 61 -2.666 -8.202 -7.676 1.00 1.33 H new ATOM 0 HE22 GLN A 61 -3.298 -9.783 -7.204 1.00 1.33 H new ATOM 907 N LYS A 62 -6.513 -3.491 -8.066 1.00 0.37 N ATOM 908 CA LYS A 62 -7.607 -2.829 -8.765 1.00 0.45 C ATOM 909 C LYS A 62 -7.110 -1.566 -9.475 1.00 0.46 C ATOM 910 O LYS A 62 -7.444 -1.334 -10.634 1.00 0.53 O ATOM 911 CB LYS A 62 -8.748 -2.541 -7.793 1.00 0.53 C ATOM 912 CG LYS A 62 -9.561 -3.828 -7.579 1.00 1.06 C ATOM 913 CD LYS A 62 -10.218 -3.759 -6.206 1.00 1.50 C ATOM 914 CE LYS A 62 -11.210 -4.894 -5.915 1.00 2.27 C ATOM 915 NZ LYS A 62 -10.565 -6.224 -5.889 1.00 3.49 N ATOM 0 H LYS A 62 -6.634 -3.506 -7.053 1.00 0.37 H new ATOM 0 HA LYS A 62 -7.995 -3.491 -9.539 1.00 0.45 H new ATOM 0 HB2 LYS A 62 -8.352 -2.184 -6.843 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -9.389 -1.752 -8.188 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -10.318 -3.932 -8.357 1.00 1.06 H new ATOM 0 HG3 LYS A 62 -8.913 -4.702 -7.646 1.00 1.06 H new ATOM 0 HD2 LYS A 62 -9.439 -3.771 -5.444 1.00 1.50 H new ATOM 0 HD3 LYS A 62 -10.739 -2.806 -6.114 1.00 1.50 H new ATOM 0 HE2 LYS A 62 -11.694 -4.711 -4.956 1.00 2.27 H new ATOM 0 HE3 LYS A 62 -11.993 -4.890 -6.673 1.00 2.27 H new ATOM 0 HZ1 LYS A 62 -11.200 -6.909 -5.431 1.00 3.49 H new ATOM 0 HZ2 LYS A 62 -10.366 -6.533 -6.862 1.00 3.49 H new ATOM 0 HZ3 LYS A 62 -9.674 -6.167 -5.355 1.00 3.49 H new ATOM 929 N ALA A 63 -6.316 -0.749 -8.777 1.00 0.41 N ATOM 930 CA ALA A 63 -5.712 0.456 -9.330 1.00 0.44 C ATOM 931 C ALA A 63 -4.805 0.118 -10.518 1.00 0.44 C ATOM 932 O ALA A 63 -4.784 0.852 -11.503 1.00 0.54 O ATOM 933 CB ALA A 63 -4.948 1.200 -8.231 1.00 0.43 C ATOM 0 H ALA A 63 -6.074 -0.912 -7.800 1.00 0.41 H new ATOM 0 HA ALA A 63 -6.499 1.110 -9.705 1.00 0.44 H new ATOM 0 HB1 ALA A 63 -4.497 2.101 -8.647 1.00 0.43 H new ATOM 0 HB2 ALA A 63 -5.636 1.475 -7.432 1.00 0.43 H new ATOM 0 HB3 ALA A 63 -4.166 0.555 -7.831 1.00 0.43 H new ATOM 939 N GLY A 64 -4.072 -0.996 -10.419 1.00 0.38 N ATOM 940 CA GLY A 64 -3.320 -1.592 -11.515 1.00 0.41 C ATOM 941 C GLY A 64 -1.849 -1.798 -11.160 1.00 0.37 C ATOM 942 O GLY A 64 -0.974 -1.482 -11.962 1.00 0.45 O ATOM 0 H GLY A 64 -3.987 -1.518 -9.547 1.00 0.38 H new ATOM 0 HA2 GLY A 64 -3.766 -2.551 -11.780 1.00 0.41 H new ATOM 0 HA3 GLY A 64 -3.394 -0.952 -12.394 1.00 0.41 H new ATOM 946 N TYR A 65 -1.568 -2.340 -9.971 1.00 0.32 N ATOM 947 CA TYR A 65 -0.230 -2.665 -9.511 1.00 0.29 C ATOM 948 C TYR A 65 -0.113 -4.165 -9.227 1.00 0.33 C ATOM 949 O TYR A 65 -1.111 -4.872 -9.119 1.00 0.56 O ATOM 950 CB TYR A 65 0.058 -1.846 -8.253 1.00 0.28 C ATOM 951 CG TYR A 65 0.152 -0.354 -8.492 1.00 0.33 C ATOM 952 CD1 TYR A 65 1.322 0.201 -9.041 1.00 1.78 C ATOM 953 CD2 TYR A 65 -0.959 0.471 -8.236 1.00 1.68 C ATOM 954 CE1 TYR A 65 1.377 1.572 -9.346 1.00 1.85 C ATOM 955 CE2 TYR A 65 -0.905 1.839 -8.544 1.00 1.67 C ATOM 956 CZ TYR A 65 0.258 2.389 -9.106 1.00 0.56 C ATOM 957 OH TYR A 65 0.290 3.716 -9.415 1.00 0.72 O ATOM 0 H TYR A 65 -2.291 -2.568 -9.289 1.00 0.32 H new ATOM 0 HA TYR A 65 0.501 -2.420 -10.281 1.00 0.29 H new ATOM 0 HB2 TYR A 65 -0.727 -2.037 -7.521 1.00 0.28 H new ATOM 0 HB3 TYR A 65 0.994 -2.192 -7.814 1.00 0.28 H new ATOM 0 HD1 TYR A 65 2.180 -0.428 -9.229 1.00 1.78 H new ATOM 0 HD2 TYR A 65 -1.854 0.051 -7.802 1.00 1.68 H new ATOM 0 HE1 TYR A 65 2.277 1.997 -9.764 1.00 1.85 H new ATOM 0 HE2 TYR A 65 -1.760 2.470 -8.348 1.00 1.67 H new ATOM 0 HH TYR A 65 -0.569 4.127 -9.184 1.00 0.72 H new ATOM 967 N SER A 66 1.126 -4.642 -9.092 1.00 0.33 N ATOM 968 CA SER A 66 1.474 -6.021 -8.790 1.00 0.41 C ATOM 969 C SER A 66 2.306 -6.027 -7.514 1.00 0.47 C ATOM 970 O SER A 66 3.536 -6.079 -7.560 1.00 0.79 O ATOM 971 CB SER A 66 2.233 -6.636 -9.971 1.00 0.58 C ATOM 972 OG SER A 66 1.381 -6.693 -11.097 1.00 1.37 O ATOM 0 H SER A 66 1.947 -4.046 -9.196 1.00 0.33 H new ATOM 0 HA SER A 66 0.581 -6.626 -8.633 1.00 0.41 H new ATOM 0 HB2 SER A 66 3.117 -6.040 -10.200 1.00 0.58 H new ATOM 0 HB3 SER A 66 2.581 -7.636 -9.713 1.00 0.58 H new ATOM 0 HG SER A 66 1.865 -7.084 -11.854 1.00 1.37 H new ATOM 978 N LEU A 67 1.615 -5.944 -6.378 1.00 0.29 N ATOM 979 CA LEU A 67 2.225 -6.124 -5.073 1.00 0.30 C ATOM 980 C LEU A 67 2.344 -7.584 -4.669 1.00 0.38 C ATOM 981 O LEU A 67 1.761 -8.463 -5.302 1.00 0.47 O ATOM 982 CB LEU A 67 1.612 -5.247 -4.007 1.00 0.32 C ATOM 983 CG LEU A 67 0.565 -5.894 -3.124 1.00 0.68 C ATOM 984 CD1 LEU A 67 0.075 -4.668 -2.373 1.00 1.46 C ATOM 985 CD2 LEU A 67 -0.545 -6.599 -3.904 1.00 1.86 C ATOM 0 H LEU A 67 0.614 -5.749 -6.343 1.00 0.29 H new ATOM 0 HA LEU A 67 3.252 -5.772 -5.173 1.00 0.30 H new ATOM 0 HB2 LEU A 67 2.413 -4.873 -3.369 1.00 0.32 H new ATOM 0 HB3 LEU A 67 1.162 -4.382 -4.493 1.00 0.32 H new ATOM 0 HG LEU A 67 0.939 -6.703 -2.497 1.00 0.68 H new ATOM 0 HD11 LEU A 67 -0.707 -4.959 -1.671 1.00 1.46 H new ATOM 0 HD12 LEU A 67 0.905 -4.220 -1.826 1.00 1.46 H new ATOM 0 HD13 LEU A 67 -0.325 -3.943 -3.082 1.00 1.46 H new ATOM 0 HD21 LEU A 67 -1.258 -7.038 -3.206 1.00 1.86 H new ATOM 0 HD22 LEU A 67 -1.058 -5.877 -4.540 1.00 1.86 H new ATOM 0 HD23 LEU A 67 -0.112 -7.385 -4.523 1.00 1.86 H new ATOM 997 N ARG A 68 3.056 -7.828 -3.570 1.00 0.38 N ATOM 998 CA ARG A 68 2.968 -9.082 -2.856 1.00 0.41 C ATOM 999 C ARG A 68 3.268 -8.835 -1.379 1.00 0.39 C ATOM 1000 O ARG A 68 4.066 -7.953 -1.064 1.00 0.38 O ATOM 1001 CB ARG A 68 3.905 -10.096 -3.516 1.00 0.47 C ATOM 1002 CG ARG A 68 3.643 -11.494 -2.961 1.00 0.56 C ATOM 1003 CD ARG A 68 3.853 -12.548 -4.050 1.00 1.17 C ATOM 1004 NE ARG A 68 3.575 -13.899 -3.540 1.00 1.63 N ATOM 1005 CZ ARG A 68 3.345 -14.977 -4.309 1.00 2.37 C ATOM 1006 NH1 ARG A 68 3.413 -14.872 -5.641 1.00 2.97 N ATOM 1007 NH2 ARG A 68 3.050 -16.152 -3.743 1.00 3.22 N ATOM 0 H ARG A 68 3.706 -7.158 -3.158 1.00 0.38 H new ATOM 0 HA ARG A 68 1.965 -9.505 -2.904 1.00 0.41 H new ATOM 0 HB2 ARG A 68 3.755 -10.091 -4.596 1.00 0.47 H new ATOM 0 HB3 ARG A 68 4.943 -9.814 -3.337 1.00 0.47 H new ATOM 0 HG2 ARG A 68 4.311 -11.690 -2.122 1.00 0.56 H new ATOM 0 HG3 ARG A 68 2.624 -11.555 -2.578 1.00 0.56 H new ATOM 0 HD2 ARG A 68 3.201 -12.335 -4.897 1.00 1.17 H new ATOM 0 HD3 ARG A 68 4.879 -12.498 -4.416 1.00 1.17 H new ATOM 0 HE ARG A 68 3.555 -14.027 -2.528 1.00 1.63 H new ATOM 0 HH11 ARG A 68 3.639 -13.975 -6.071 1.00 2.97 H new ATOM 0 HH12 ARG A 68 3.239 -15.689 -6.227 1.00 2.97 H new ATOM 0 HH21 ARG A 68 2.999 -16.230 -2.727 1.00 3.22 H new ATOM 0 HH22 ARG A 68 2.875 -16.970 -4.327 1.00 3.22 H new ATOM 1021 N ASP A 69 2.582 -9.573 -0.498 1.00 0.44 N ATOM 1022 CA ASP A 69 2.667 -9.443 0.951 1.00 0.49 C ATOM 1023 C ASP A 69 4.080 -9.674 1.470 1.00 0.46 C ATOM 1024 O ASP A 69 4.743 -10.620 1.045 1.00 0.63 O ATOM 1025 CB ASP A 69 1.660 -10.385 1.612 1.00 0.67 C ATOM 1026 CG ASP A 69 1.627 -10.129 3.109 1.00 1.74 C ATOM 1027 OD1 ASP A 69 2.471 -10.743 3.799 1.00 2.30 O ATOM 1028 OD2 ASP A 69 0.789 -9.295 3.518 1.00 3.07 O ATOM 0 H ASP A 69 1.931 -10.301 -0.791 1.00 0.44 H new ATOM 0 HA ASP A 69 2.414 -8.416 1.216 1.00 0.49 H new ATOM 0 HB2 ASP A 69 0.669 -10.231 1.185 1.00 0.67 H new ATOM 0 HB3 ASP A 69 1.934 -11.422 1.416 1.00 0.67 H new ATOM 1033 N GLU A 70 4.519 -8.799 2.383 1.00 0.46 N ATOM 1034 CA GLU A 70 5.773 -8.925 3.101 1.00 0.51 C ATOM 1035 C GLU A 70 5.532 -8.980 4.611 1.00 0.60 C ATOM 1036 O GLU A 70 6.148 -8.243 5.380 1.00 0.69 O ATOM 1037 CB GLU A 70 6.742 -7.814 2.666 1.00 0.58 C ATOM 1038 CG GLU A 70 7.672 -8.415 1.609 1.00 0.87 C ATOM 1039 CD GLU A 70 8.704 -7.444 1.059 1.00 1.06 C ATOM 1040 OE1 GLU A 70 8.585 -6.231 1.328 1.00 1.60 O ATOM 1041 OE2 GLU A 70 9.596 -7.954 0.343 1.00 2.51 O ATOM 0 H GLU A 70 3.991 -7.966 2.642 1.00 0.46 H new ATOM 0 HA GLU A 70 6.252 -9.870 2.846 1.00 0.51 H new ATOM 0 HB2 GLU A 70 6.195 -6.964 2.259 1.00 0.58 H new ATOM 0 HB3 GLU A 70 7.314 -7.447 3.518 1.00 0.58 H new ATOM 0 HG2 GLU A 70 8.190 -9.271 2.042 1.00 0.87 H new ATOM 0 HG3 GLU A 70 7.069 -8.792 0.783 1.00 0.87 H new