USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 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 13 MET CE :methyl 157:sc= -4.18 (180deg=-5.33) USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 SER OG : rot 160:sc= 0.965 USER MOD Set 2.2: A 62 LYS NZ :NH3+ -178:sc= 1.25 (180deg=0) USER MOD Set 3.1: A 24 ASN : amide:sc= 0.573 K(o=1.4,f=-1.3) USER MOD Set 3.2: A 28 GLN : amide:sc= 0.787 K(o=1.4,f=-0.12) USER MOD Set 4.1: A 15 CYS SG : rot -10:sc= -0.0115 USER MOD Set 4.2: A 18 CYS SG : rot 130:sc= 0.26 USER MOD Set 5.1: A 7 SER OG : rot 140:sc= 0.398 USER MOD Set 5.2: A 43 LYS NZ :NH3+ -179:sc= 1.13 (180deg=-0.0727) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.12) USER MOD Single : A 11 SER OG : rot 76:sc= 1.26 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.66 K(o=-1.7,f=0.0014) USER MOD Single : A 34 GLN : amide:sc= 0.817 K(o=0.82,f=-0.14) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -37:sc= 0.78 USER MOD Single : A 50 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.79) USER MOD Single : A 55 GLN : amide:sc= -0.0766 K(o=-0.077,f=-1) USER MOD Single : A 61 GLN : amide:sc= 1.38 K(o=1.4,f=-0.3) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 1.930 -3.335 11.719 1.00 0.63 N ATOM 34 CA ARG A 5 2.746 -2.815 10.651 1.00 0.49 C ATOM 35 C ARG A 5 2.818 -3.904 9.602 1.00 0.35 C ATOM 36 O ARG A 5 3.356 -4.976 9.854 1.00 0.46 O ATOM 37 CB ARG A 5 4.136 -2.437 11.171 1.00 0.79 C ATOM 38 CG ARG A 5 4.939 -1.691 10.098 1.00 0.75 C ATOM 39 CD ARG A 5 5.627 -2.602 9.054 1.00 0.55 C ATOM 40 NE ARG A 5 7.104 -2.556 9.164 1.00 0.94 N ATOM 41 CZ ARG A 5 7.885 -1.470 9.044 1.00 2.13 C ATOM 42 NH1 ARG A 5 7.333 -0.296 8.735 1.00 3.60 N ATOM 43 NH2 ARG A 5 9.202 -1.547 9.240 1.00 2.45 N ATOM 0 HA ARG A 5 2.321 -1.905 10.228 1.00 0.49 H new ATOM 0 HB2 ARG A 5 4.039 -1.811 12.058 1.00 0.79 H new ATOM 0 HB3 ARG A 5 4.673 -3.337 11.472 1.00 0.79 H new ATOM 0 HG2 ARG A 5 4.272 -1.004 9.577 1.00 0.75 H new ATOM 0 HG3 ARG A 5 5.700 -1.085 10.589 1.00 0.75 H new ATOM 0 HD2 ARG A 5 5.285 -3.628 9.188 1.00 0.55 H new ATOM 0 HD3 ARG A 5 5.328 -2.294 8.052 1.00 0.55 H new ATOM 0 HE ARG A 5 7.576 -3.441 9.350 1.00 0.94 H new ATOM 0 HH11 ARG A 5 6.325 -0.228 8.592 1.00 3.60 H new ATOM 0 HH12 ARG A 5 7.918 0.534 8.642 1.00 3.60 H new ATOM 0 HH21 ARG A 5 9.630 -2.440 9.485 1.00 2.45 H new ATOM 0 HH22 ARG A 5 9.781 -0.713 9.145 1.00 2.45 H new ATOM 57 N TYR A 6 2.265 -3.623 8.432 1.00 0.30 N ATOM 58 CA TYR A 6 2.297 -4.507 7.283 1.00 0.24 C ATOM 59 C TYR A 6 3.160 -3.913 6.160 1.00 0.28 C ATOM 60 O TYR A 6 3.300 -2.690 6.102 1.00 0.53 O ATOM 61 CB TYR A 6 0.867 -4.643 6.794 1.00 0.32 C ATOM 62 CG TYR A 6 -0.165 -5.179 7.759 1.00 0.54 C ATOM 63 CD1 TYR A 6 -0.270 -6.565 7.954 1.00 2.07 C ATOM 64 CD2 TYR A 6 -1.191 -4.334 8.221 1.00 1.62 C ATOM 65 CE1 TYR A 6 -1.319 -7.084 8.733 1.00 2.16 C ATOM 66 CE2 TYR A 6 -2.311 -4.875 8.872 1.00 1.70 C ATOM 67 CZ TYR A 6 -2.343 -6.241 9.199 1.00 1.00 C ATOM 68 OH TYR A 6 -3.431 -6.784 9.818 1.00 1.27 O ATOM 0 H TYR A 6 1.769 -2.750 8.254 1.00 0.30 H new ATOM 0 HA TYR A 6 2.725 -5.470 7.560 1.00 0.24 H new ATOM 0 HB2 TYR A 6 0.533 -3.660 6.460 1.00 0.32 H new ATOM 0 HB3 TYR A 6 0.874 -5.292 5.918 1.00 0.32 H new ATOM 0 HD1 TYR A 6 0.453 -7.231 7.507 1.00 2.07 H new ATOM 0 HD2 TYR A 6 -1.117 -3.267 8.074 1.00 1.62 H new ATOM 0 HE1 TYR A 6 -1.338 -8.136 8.975 1.00 2.16 H new ATOM 0 HE2 TYR A 6 -3.149 -4.241 9.122 1.00 1.70 H new ATOM 0 HH TYR A 6 -4.048 -6.070 10.082 1.00 1.27 H new ATOM 78 N SER A 7 3.704 -4.755 5.264 1.00 0.23 N ATOM 79 CA SER A 7 4.405 -4.338 4.038 1.00 0.20 C ATOM 80 C SER A 7 3.950 -5.113 2.805 1.00 0.17 C ATOM 81 O SER A 7 3.552 -6.272 2.905 1.00 0.21 O ATOM 82 CB SER A 7 5.915 -4.566 4.193 1.00 0.36 C ATOM 83 OG SER A 7 6.460 -3.696 5.162 1.00 1.43 O ATOM 0 H SER A 7 3.667 -5.768 5.375 1.00 0.23 H new ATOM 0 HA SER A 7 4.170 -3.283 3.897 1.00 0.20 H new ATOM 0 HB2 SER A 7 6.103 -5.600 4.481 1.00 0.36 H new ATOM 0 HB3 SER A 7 6.411 -4.406 3.236 1.00 0.36 H new ATOM 0 HG SER A 7 7.121 -4.179 5.700 1.00 1.43 H new ATOM 89 N TRP A 8 4.075 -4.473 1.636 1.00 0.16 N ATOM 90 CA TRP A 8 3.879 -5.098 0.334 1.00 0.19 C ATOM 91 C TRP A 8 4.921 -4.625 -0.669 1.00 0.33 C ATOM 92 O TRP A 8 5.338 -3.468 -0.596 1.00 0.32 O ATOM 93 CB TRP A 8 2.505 -4.756 -0.236 1.00 0.23 C ATOM 94 CG TRP A 8 1.390 -4.983 0.709 1.00 0.24 C ATOM 95 CD1 TRP A 8 0.681 -6.109 0.844 1.00 0.46 C ATOM 96 CD2 TRP A 8 0.875 -4.128 1.750 1.00 0.37 C ATOM 97 NE1 TRP A 8 0.115 -6.071 2.103 1.00 0.53 N ATOM 98 CE2 TRP A 8 0.536 -4.955 2.838 1.00 0.46 C ATOM 99 CE3 TRP A 8 0.082 -2.964 1.757 1.00 0.41 C ATOM 100 CZ2 TRP A 8 0.131 -4.262 4.012 1.00 0.61 C ATOM 101 CZ3 TRP A 8 -1.118 -3.043 2.535 1.00 0.48 C ATOM 102 CH2 TRP A 8 -0.892 -3.326 3.854 1.00 0.59 C ATOM 0 H TRP A 8 4.321 -3.485 1.574 1.00 0.16 H new ATOM 0 HA TRP A 8 3.969 -6.173 0.489 1.00 0.19 H new ATOM 0 HB2 TRP A 8 2.500 -3.710 -0.544 1.00 0.23 H new ATOM 0 HB3 TRP A 8 2.336 -5.353 -1.132 1.00 0.23 H new ATOM 0 HD1 TRP A 8 0.572 -6.895 0.111 1.00 0.46 H new ATOM 0 HE1 TRP A 8 -0.534 -6.774 2.457 1.00 0.53 H new ATOM 0 HE3 TRP A 8 0.360 -2.073 1.213 1.00 0.41 H new ATOM 0 HZ2 TRP A 8 0.589 -4.450 4.972 1.00 0.61 H new ATOM 0 HZ3 TRP A 8 -2.104 -2.894 2.121 1.00 0.48 H new ATOM 0 HH2 TRP A 8 -1.438 -2.880 4.672 1.00 0.59 H new ATOM 113 N LYS A 9 5.272 -5.491 -1.628 1.00 0.52 N ATOM 114 CA LYS A 9 6.348 -5.224 -2.581 1.00 0.47 C ATOM 115 C LYS A 9 5.839 -4.692 -3.918 1.00 0.69 C ATOM 116 O LYS A 9 5.557 -5.458 -4.834 1.00 1.29 O ATOM 117 CB LYS A 9 7.215 -6.462 -2.768 1.00 0.64 C ATOM 118 CG LYS A 9 6.524 -7.694 -3.378 1.00 1.24 C ATOM 119 CD LYS A 9 7.254 -8.959 -2.937 1.00 1.21 C ATOM 120 CE LYS A 9 8.748 -8.888 -3.308 1.00 1.18 C ATOM 121 NZ LYS A 9 9.530 -9.907 -2.594 1.00 1.56 N ATOM 0 H LYS A 9 4.817 -6.394 -1.762 1.00 0.52 H new ATOM 0 HA LYS A 9 6.962 -4.430 -2.155 1.00 0.47 H new ATOM 0 HB2 LYS A 9 8.060 -6.195 -3.403 1.00 0.64 H new ATOM 0 HB3 LYS A 9 7.622 -6.744 -1.797 1.00 0.64 H new ATOM 0 HG2 LYS A 9 5.482 -7.734 -3.061 1.00 1.24 H new ATOM 0 HG3 LYS A 9 6.524 -7.622 -4.466 1.00 1.24 H new ATOM 0 HD2 LYS A 9 7.148 -9.088 -1.860 1.00 1.21 H new ATOM 0 HD3 LYS A 9 6.799 -9.830 -3.409 1.00 1.21 H new ATOM 0 HE2 LYS A 9 8.864 -9.026 -4.383 1.00 1.18 H new ATOM 0 HE3 LYS A 9 9.136 -7.898 -3.070 1.00 1.18 H new ATOM 0 HZ1 LYS A 9 10.533 -9.820 -2.854 1.00 1.56 H new ATOM 0 HZ2 LYS A 9 9.425 -9.770 -1.568 1.00 1.56 H new ATOM 0 HZ3 LYS A 9 9.186 -10.854 -2.854 1.00 1.56 H new ATOM 135 N VAL A 10 5.698 -3.374 -4.035 1.00 1.07 N ATOM 136 CA VAL A 10 4.901 -2.759 -5.090 1.00 1.40 C ATOM 137 C VAL A 10 5.760 -2.302 -6.279 1.00 1.77 C ATOM 138 O VAL A 10 6.085 -1.126 -6.431 1.00 2.97 O ATOM 139 CB VAL A 10 3.999 -1.680 -4.471 1.00 1.51 C ATOM 140 CG1 VAL A 10 4.749 -0.585 -3.699 1.00 1.95 C ATOM 141 CG2 VAL A 10 3.043 -1.114 -5.526 1.00 2.14 C ATOM 0 H VAL A 10 6.133 -2.704 -3.401 1.00 1.07 H new ATOM 0 HA VAL A 10 4.238 -3.498 -5.540 1.00 1.40 H new ATOM 0 HB VAL A 10 3.409 -2.177 -3.701 1.00 1.51 H new ATOM 0 HG11 VAL A 10 4.033 0.132 -3.298 1.00 1.95 H new ATOM 0 HG12 VAL A 10 5.309 -1.036 -2.880 1.00 1.95 H new ATOM 0 HG13 VAL A 10 5.438 -0.073 -4.371 1.00 1.95 H new ATOM 0 HG21 VAL A 10 2.411 -0.351 -5.072 1.00 2.14 H new ATOM 0 HG22 VAL A 10 3.619 -0.672 -6.339 1.00 2.14 H new ATOM 0 HG23 VAL A 10 2.418 -1.916 -5.919 1.00 2.14 H new ATOM 151 N SER A 11 6.082 -3.245 -7.172 1.00 1.12 N ATOM 152 CA SER A 11 7.020 -3.004 -8.273 1.00 1.21 C ATOM 153 C SER A 11 6.569 -1.869 -9.201 1.00 1.40 C ATOM 154 O SER A 11 7.379 -1.179 -9.814 1.00 3.02 O ATOM 155 CB SER A 11 7.279 -4.317 -9.029 1.00 1.24 C ATOM 156 OG SER A 11 8.507 -4.263 -9.723 1.00 2.14 O ATOM 0 H SER A 11 5.702 -4.191 -7.152 1.00 1.12 H new ATOM 0 HA SER A 11 7.963 -2.661 -7.847 1.00 1.21 H new ATOM 0 HB2 SER A 11 7.290 -5.150 -8.326 1.00 1.24 H new ATOM 0 HB3 SER A 11 6.467 -4.503 -9.732 1.00 1.24 H new ATOM 0 HG SER A 11 9.246 -4.370 -9.089 1.00 2.14 H new ATOM 162 N GLY A 12 5.256 -1.656 -9.285 1.00 1.10 N ATOM 163 CA GLY A 12 4.664 -0.639 -10.141 1.00 0.98 C ATOM 164 C GLY A 12 4.884 0.801 -9.658 1.00 0.97 C ATOM 165 O GLY A 12 4.596 1.729 -10.410 1.00 1.73 O ATOM 0 H GLY A 12 4.570 -2.192 -8.754 1.00 1.10 H new ATOM 0 HA2 GLY A 12 5.077 -0.740 -11.144 1.00 0.98 H new ATOM 0 HA3 GLY A 12 3.593 -0.824 -10.218 1.00 0.98 H new ATOM 169 N MET A 13 5.324 1.018 -8.412 1.00 0.55 N ATOM 170 CA MET A 13 5.435 2.366 -7.861 1.00 0.47 C ATOM 171 C MET A 13 6.761 3.035 -8.233 1.00 0.44 C ATOM 172 O MET A 13 7.822 2.672 -7.723 1.00 0.55 O ATOM 173 CB MET A 13 5.202 2.328 -6.351 1.00 0.54 C ATOM 174 CG MET A 13 3.726 2.401 -5.973 1.00 1.22 C ATOM 175 SD MET A 13 2.897 3.950 -6.406 1.00 3.05 S ATOM 176 CE MET A 13 1.988 3.456 -7.885 1.00 5.18 C ATOM 0 H MET A 13 5.607 0.277 -7.771 1.00 0.55 H new ATOM 0 HA MET A 13 4.659 2.988 -8.308 1.00 0.47 H new ATOM 0 HB2 MET A 13 5.630 1.411 -5.946 1.00 0.54 H new ATOM 0 HB3 MET A 13 5.732 3.159 -5.886 1.00 0.54 H new ATOM 0 HG2 MET A 13 3.202 1.578 -6.459 1.00 1.22 H new ATOM 0 HG3 MET A 13 3.634 2.246 -4.898 1.00 1.22 H new ATOM 0 HE1 MET A 13 1.143 4.128 -8.034 1.00 5.18 H new ATOM 0 HE2 MET A 13 2.648 3.505 -8.751 1.00 5.18 H new ATOM 0 HE3 MET A 13 1.623 2.436 -7.764 1.00 5.18 H new ATOM 186 N ASP A 14 6.666 4.048 -9.100 1.00 0.46 N ATOM 187 CA ASP A 14 7.733 4.621 -9.905 1.00 0.52 C ATOM 188 C ASP A 14 7.968 6.120 -9.641 1.00 0.45 C ATOM 189 O ASP A 14 9.116 6.559 -9.665 1.00 0.65 O ATOM 190 CB ASP A 14 7.347 4.381 -11.373 1.00 0.83 C ATOM 191 CG ASP A 14 5.984 4.962 -11.757 1.00 1.00 C ATOM 192 OD1 ASP A 14 5.235 5.417 -10.868 1.00 1.50 O ATOM 193 OD2 ASP A 14 5.696 5.006 -12.971 1.00 1.27 O ATOM 0 H ASP A 14 5.776 4.518 -9.264 1.00 0.46 H new ATOM 0 HA ASP A 14 8.676 4.141 -9.644 1.00 0.52 H new ATOM 0 HB2 ASP A 14 8.112 4.817 -12.016 1.00 0.83 H new ATOM 0 HB3 ASP A 14 7.342 3.308 -11.567 1.00 0.83 H new ATOM 198 N CYS A 15 6.902 6.893 -9.404 1.00 0.39 N ATOM 199 CA CYS A 15 6.893 8.346 -9.285 1.00 0.39 C ATOM 200 C CYS A 15 6.258 8.757 -7.958 1.00 0.32 C ATOM 201 O CYS A 15 5.461 8.017 -7.385 1.00 0.31 O ATOM 202 CB CYS A 15 6.054 8.984 -10.407 1.00 0.50 C ATOM 203 SG CYS A 15 6.239 8.174 -12.018 1.00 0.67 S ATOM 0 H CYS A 15 5.971 6.493 -9.284 1.00 0.39 H new ATOM 0 HA CYS A 15 7.927 8.685 -9.348 1.00 0.39 H new ATOM 0 HB2 CYS A 15 5.003 8.961 -10.119 1.00 0.50 H new ATOM 0 HB3 CYS A 15 6.335 10.033 -10.505 1.00 0.50 H new ATOM 0 HG CYS A 15 7.221 7.324 -11.966 1.00 0.67 H new ATOM 208 N ALA A 16 6.518 9.991 -7.524 1.00 0.31 N ATOM 209 CA ALA A 16 5.890 10.539 -6.330 1.00 0.29 C ATOM 210 C ALA A 16 4.392 10.760 -6.545 1.00 0.24 C ATOM 211 O ALA A 16 3.598 10.551 -5.634 1.00 0.22 O ATOM 212 CB ALA A 16 6.580 11.847 -5.932 1.00 0.38 C ATOM 0 H ALA A 16 7.164 10.630 -7.988 1.00 0.31 H new ATOM 0 HA ALA A 16 6.003 9.819 -5.519 1.00 0.29 H new ATOM 0 HB1 ALA A 16 6.105 12.251 -5.038 1.00 0.38 H new ATOM 0 HB2 ALA A 16 7.633 11.655 -5.728 1.00 0.38 H new ATOM 0 HB3 ALA A 16 6.493 12.567 -6.746 1.00 0.38 H new ATOM 218 N ALA A 17 3.984 11.195 -7.741 1.00 0.30 N ATOM 219 CA ALA A 17 2.569 11.383 -8.049 1.00 0.37 C ATOM 220 C ALA A 17 1.826 10.048 -7.933 1.00 0.36 C ATOM 221 O ALA A 17 0.807 9.949 -7.249 1.00 0.37 O ATOM 222 CB ALA A 17 2.419 11.988 -9.448 1.00 0.47 C ATOM 0 H ALA A 17 4.615 11.423 -8.509 1.00 0.30 H new ATOM 0 HA ALA A 17 2.127 12.075 -7.332 1.00 0.37 H new ATOM 0 HB1 ALA A 17 1.362 12.126 -9.673 1.00 0.47 H new ATOM 0 HB2 ALA A 17 2.927 12.952 -9.484 1.00 0.47 H new ATOM 0 HB3 ALA A 17 2.862 11.317 -10.184 1.00 0.47 H new ATOM 228 N CYS A 18 2.375 9.025 -8.592 1.00 0.39 N ATOM 229 CA CYS A 18 1.942 7.641 -8.498 1.00 0.42 C ATOM 230 C CYS A 18 1.839 7.253 -7.021 1.00 0.36 C ATOM 231 O CYS A 18 0.754 6.924 -6.540 1.00 0.43 O ATOM 232 CB CYS A 18 2.925 6.765 -9.300 1.00 0.50 C ATOM 233 SG CYS A 18 2.950 7.345 -11.029 1.00 0.66 S ATOM 0 H CYS A 18 3.163 9.149 -9.228 1.00 0.39 H new ATOM 0 HA CYS A 18 0.953 7.492 -8.931 1.00 0.42 H new ATOM 0 HB2 CYS A 18 3.924 6.825 -8.867 1.00 0.50 H new ATOM 0 HB3 CYS A 18 2.621 5.719 -9.257 1.00 0.50 H new ATOM 0 HG CYS A 18 4.180 7.524 -11.409 1.00 0.66 H new ATOM 238 N ALA A 19 2.948 7.373 -6.286 1.00 0.28 N ATOM 239 CA ALA A 19 2.997 7.129 -4.854 1.00 0.28 C ATOM 240 C ALA A 19 1.837 7.803 -4.142 1.00 0.23 C ATOM 241 O ALA A 19 1.176 7.166 -3.330 1.00 0.23 O ATOM 242 CB ALA A 19 4.328 7.595 -4.266 1.00 0.30 C ATOM 0 H ALA A 19 3.847 7.647 -6.682 1.00 0.28 H new ATOM 0 HA ALA A 19 2.911 6.053 -4.700 1.00 0.28 H new ATOM 0 HB1 ALA A 19 4.340 7.401 -3.193 1.00 0.30 H new ATOM 0 HB2 ALA A 19 5.145 7.053 -4.741 1.00 0.30 H new ATOM 0 HB3 ALA A 19 4.450 8.664 -4.443 1.00 0.30 H new ATOM 248 N ARG A 20 1.570 9.075 -4.445 1.00 0.24 N ATOM 249 CA ARG A 20 0.533 9.804 -3.742 1.00 0.22 C ATOM 250 C ARG A 20 -0.866 9.298 -4.083 1.00 0.27 C ATOM 251 O ARG A 20 -1.757 9.264 -3.232 1.00 0.37 O ATOM 252 CB ARG A 20 0.627 11.316 -3.962 1.00 0.32 C ATOM 253 CG ARG A 20 0.398 11.914 -2.580 1.00 0.73 C ATOM 254 CD ARG A 20 0.213 13.419 -2.517 1.00 0.76 C ATOM 255 NE ARG A 20 -0.080 13.751 -1.117 1.00 1.67 N ATOM 256 CZ ARG A 20 -0.457 14.964 -0.690 1.00 2.37 C ATOM 257 NH1 ARG A 20 -0.560 15.971 -1.567 1.00 2.65 N ATOM 258 NH2 ARG A 20 -0.734 15.160 0.601 1.00 3.30 N ATOM 0 H ARG A 20 2.056 9.610 -5.165 1.00 0.24 H new ATOM 0 HA ARG A 20 0.707 9.614 -2.683 1.00 0.22 H new ATOM 0 HB2 ARG A 20 1.601 11.600 -4.362 1.00 0.32 H new ATOM 0 HB3 ARG A 20 -0.123 11.661 -4.674 1.00 0.32 H new ATOM 0 HG2 ARG A 20 -0.484 11.443 -2.146 1.00 0.73 H new ATOM 0 HG3 ARG A 20 1.245 11.647 -1.948 1.00 0.73 H new ATOM 0 HD2 ARG A 20 1.112 13.934 -2.857 1.00 0.76 H new ATOM 0 HD3 ARG A 20 -0.601 13.736 -3.168 1.00 0.76 H new ATOM 0 HE ARG A 20 0.009 13.009 -0.423 1.00 1.67 H new ATOM 0 HH11 ARG A 20 -0.352 15.812 -2.553 1.00 2.65 H new ATOM 0 HH12 ARG A 20 -0.846 16.897 -1.249 1.00 2.65 H new ATOM 0 HH21 ARG A 20 -0.659 14.387 1.262 1.00 3.30 H new ATOM 0 HH22 ARG A 20 -1.021 16.083 0.927 1.00 3.30 H new ATOM 272 N LYS A 21 -1.084 8.907 -5.336 1.00 0.29 N ATOM 273 CA LYS A 21 -2.346 8.287 -5.690 1.00 0.35 C ATOM 274 C LYS A 21 -2.547 7.046 -4.821 1.00 0.41 C ATOM 275 O LYS A 21 -3.638 6.817 -4.302 1.00 0.51 O ATOM 276 CB LYS A 21 -2.390 7.968 -7.191 1.00 0.34 C ATOM 277 CG LYS A 21 -3.261 8.999 -7.918 1.00 0.85 C ATOM 278 CD LYS A 21 -3.377 8.653 -9.406 1.00 1.43 C ATOM 279 CE LYS A 21 -4.394 9.585 -10.083 1.00 1.95 C ATOM 280 NZ LYS A 21 -4.569 9.269 -11.516 1.00 2.62 N ATOM 0 H LYS A 21 -0.418 9.007 -6.102 1.00 0.29 H new ATOM 0 HA LYS A 21 -3.170 8.974 -5.499 1.00 0.35 H new ATOM 0 HB2 LYS A 21 -1.381 7.976 -7.603 1.00 0.34 H new ATOM 0 HB3 LYS A 21 -2.790 6.966 -7.347 1.00 0.34 H new ATOM 0 HG2 LYS A 21 -4.253 9.028 -7.467 1.00 0.85 H new ATOM 0 HG3 LYS A 21 -2.830 9.993 -7.803 1.00 0.85 H new ATOM 0 HD2 LYS A 21 -2.404 8.751 -9.888 1.00 1.43 H new ATOM 0 HD3 LYS A 21 -3.688 7.615 -9.524 1.00 1.43 H new ATOM 0 HE2 LYS A 21 -5.355 9.504 -9.574 1.00 1.95 H new ATOM 0 HE3 LYS A 21 -4.064 10.619 -9.978 1.00 1.95 H new ATOM 0 HZ1 LYS A 21 -5.263 9.921 -11.933 1.00 2.62 H new ATOM 0 HZ2 LYS A 21 -3.658 9.372 -12.008 1.00 2.62 H new ATOM 0 HZ3 LYS A 21 -4.909 8.291 -11.617 1.00 2.62 H new ATOM 294 N VAL A 22 -1.486 6.263 -4.633 1.00 0.37 N ATOM 295 CA VAL A 22 -1.564 5.047 -3.851 1.00 0.45 C ATOM 296 C VAL A 22 -1.730 5.348 -2.367 1.00 0.40 C ATOM 297 O VAL A 22 -2.606 4.752 -1.741 1.00 0.47 O ATOM 298 CB VAL A 22 -0.368 4.151 -4.158 1.00 0.47 C ATOM 299 CG1 VAL A 22 -0.458 2.813 -3.431 1.00 0.65 C ATOM 300 CG2 VAL A 22 -0.405 3.846 -5.650 1.00 0.79 C ATOM 0 H VAL A 22 -0.561 6.457 -5.017 1.00 0.37 H new ATOM 0 HA VAL A 22 -2.459 4.494 -4.137 1.00 0.45 H new ATOM 0 HB VAL A 22 0.540 4.664 -3.842 1.00 0.47 H new ATOM 0 HG11 VAL A 22 0.413 2.206 -3.677 1.00 0.65 H new ATOM 0 HG12 VAL A 22 -0.488 2.985 -2.355 1.00 0.65 H new ATOM 0 HG13 VAL A 22 -1.363 2.291 -3.740 1.00 0.65 H new ATOM 0 HG21 VAL A 22 0.437 3.205 -5.911 1.00 0.79 H new ATOM 0 HG22 VAL A 22 -1.338 3.337 -5.894 1.00 0.79 H new ATOM 0 HG23 VAL A 22 -0.341 4.777 -6.213 1.00 0.79 H new ATOM 310 N GLU A 23 -0.925 6.256 -1.796 1.00 0.36 N ATOM 311 CA GLU A 23 -1.024 6.564 -0.374 1.00 0.45 C ATOM 312 C GLU A 23 -2.472 6.937 -0.062 1.00 0.45 C ATOM 313 O GLU A 23 -3.043 6.492 0.927 1.00 0.51 O ATOM 314 CB GLU A 23 -0.013 7.630 0.115 1.00 0.57 C ATOM 315 CG GLU A 23 -0.481 9.064 -0.170 1.00 0.55 C ATOM 316 CD GLU A 23 0.469 10.183 0.267 1.00 0.77 C ATOM 317 OE1 GLU A 23 1.634 9.854 0.565 1.00 1.44 O ATOM 318 OE2 GLU A 23 0.014 11.358 0.294 1.00 2.07 O ATOM 0 H GLU A 23 -0.208 6.781 -2.296 1.00 0.36 H new ATOM 0 HA GLU A 23 -0.743 5.673 0.188 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.146 7.510 1.187 1.00 0.57 H new ATOM 0 HB3 GLU A 23 0.949 7.463 -0.370 1.00 0.57 H new ATOM 0 HG2 GLU A 23 -0.655 9.161 -1.242 1.00 0.55 H new ATOM 0 HG3 GLU A 23 -1.441 9.216 0.324 1.00 0.55 H new ATOM 325 N ASN A 24 -3.074 7.727 -0.952 1.00 0.42 N ATOM 326 CA ASN A 24 -4.465 8.123 -0.839 1.00 0.48 C ATOM 327 C ASN A 24 -5.378 6.907 -0.958 1.00 0.52 C ATOM 328 O ASN A 24 -6.195 6.664 -0.073 1.00 0.65 O ATOM 329 CB ASN A 24 -4.813 9.160 -1.904 1.00 0.50 C ATOM 330 CG ASN A 24 -6.195 9.731 -1.617 1.00 1.36 C ATOM 331 OD1 ASN A 24 -7.208 9.064 -1.802 1.00 2.76 O ATOM 332 ND2 ASN A 24 -6.240 10.965 -1.132 1.00 1.69 N ATOM 0 H ASN A 24 -2.602 8.108 -1.772 1.00 0.42 H new ATOM 0 HA ASN A 24 -4.617 8.572 0.142 1.00 0.48 H new ATOM 0 HB2 ASN A 24 -4.071 9.958 -1.907 1.00 0.50 H new ATOM 0 HB3 ASN A 24 -4.794 8.703 -2.893 1.00 0.50 H new ATOM 0 HD21 ASN A 24 -7.138 11.389 -0.900 1.00 1.69 H new ATOM 0 HD22 ASN A 24 -5.377 11.490 -0.991 1.00 1.69 H new ATOM 339 N ALA A 25 -5.240 6.157 -2.057 1.00 0.50 N ATOM 340 CA ALA A 25 -6.073 5.003 -2.373 1.00 0.57 C ATOM 341 C ALA A 25 -6.117 3.999 -1.223 1.00 0.50 C ATOM 342 O ALA A 25 -7.166 3.415 -0.963 1.00 0.60 O ATOM 343 CB ALA A 25 -5.586 4.339 -3.661 1.00 0.61 C ATOM 0 H ALA A 25 -4.529 6.344 -2.764 1.00 0.50 H new ATOM 0 HA ALA A 25 -7.092 5.358 -2.524 1.00 0.57 H new ATOM 0 HB1 ALA A 25 -6.215 3.478 -3.887 1.00 0.61 H new ATOM 0 HB2 ALA A 25 -5.640 5.054 -4.482 1.00 0.61 H new ATOM 0 HB3 ALA A 25 -4.555 4.011 -3.534 1.00 0.61 H new ATOM 349 N VAL A 26 -4.996 3.800 -0.523 1.00 0.37 N ATOM 350 CA VAL A 26 -4.998 2.979 0.676 1.00 0.36 C ATOM 351 C VAL A 26 -5.562 3.770 1.861 1.00 0.42 C ATOM 352 O VAL A 26 -6.459 3.284 2.548 1.00 0.44 O ATOM 353 CB VAL A 26 -3.626 2.333 0.938 1.00 0.35 C ATOM 354 CG1 VAL A 26 -3.146 1.610 -0.325 1.00 1.76 C ATOM 355 CG2 VAL A 26 -2.528 3.284 1.404 1.00 1.79 C ATOM 0 H VAL A 26 -4.088 4.195 -0.768 1.00 0.37 H new ATOM 0 HA VAL A 26 -5.669 2.133 0.525 1.00 0.36 H new ATOM 0 HB VAL A 26 -3.796 1.646 1.767 1.00 0.35 H new ATOM 0 HG11 VAL A 26 -2.174 1.154 -0.136 1.00 1.76 H new ATOM 0 HG12 VAL A 26 -3.864 0.836 -0.596 1.00 1.76 H new ATOM 0 HG13 VAL A 26 -3.058 2.325 -1.143 1.00 1.76 H new ATOM 0 HG21 VAL A 26 -1.605 2.726 1.559 1.00 1.79 H new ATOM 0 HG22 VAL A 26 -2.366 4.051 0.647 1.00 1.79 H new ATOM 0 HG23 VAL A 26 -2.828 3.756 2.340 1.00 1.79 H new ATOM 365 N ARG A 27 -5.069 4.989 2.109 1.00 0.45 N ATOM 366 CA ARG A 27 -5.437 5.758 3.296 1.00 0.51 C ATOM 367 C ARG A 27 -6.954 5.897 3.434 1.00 0.57 C ATOM 368 O ARG A 27 -7.489 5.821 4.536 1.00 0.61 O ATOM 369 CB ARG A 27 -4.748 7.126 3.272 1.00 0.52 C ATOM 370 CG ARG A 27 -5.132 7.979 4.486 1.00 0.51 C ATOM 371 CD ARG A 27 -4.306 9.266 4.502 1.00 0.56 C ATOM 372 NE ARG A 27 -4.765 10.158 5.574 1.00 0.64 N ATOM 373 CZ ARG A 27 -4.291 11.394 5.799 1.00 1.15 C ATOM 374 NH1 ARG A 27 -3.280 11.858 5.057 1.00 1.83 N ATOM 375 NH2 ARG A 27 -4.835 12.154 6.754 1.00 1.26 N ATOM 0 H ARG A 27 -4.408 5.465 1.495 1.00 0.45 H new ATOM 0 HA ARG A 27 -5.091 5.213 4.174 1.00 0.51 H new ATOM 0 HB2 ARG A 27 -3.667 6.988 3.252 1.00 0.52 H new ATOM 0 HB3 ARG A 27 -5.019 7.653 2.357 1.00 0.52 H new ATOM 0 HG2 ARG A 27 -6.195 8.219 4.451 1.00 0.51 H new ATOM 0 HG3 ARG A 27 -4.963 7.417 5.404 1.00 0.51 H new ATOM 0 HD2 ARG A 27 -3.252 9.027 4.646 1.00 0.56 H new ATOM 0 HD3 ARG A 27 -4.390 9.771 3.540 1.00 0.56 H new ATOM 0 HE ARG A 27 -5.498 9.813 6.194 1.00 0.64 H new ATOM 0 HH11 ARG A 27 -2.874 11.274 4.326 1.00 1.83 H new ATOM 0 HH12 ARG A 27 -2.915 12.796 5.222 1.00 1.83 H new ATOM 0 HH21 ARG A 27 -5.610 11.795 7.312 1.00 1.26 H new ATOM 0 HH22 ARG A 27 -4.475 13.093 6.925 1.00 1.26 H new ATOM 389 N GLN A 28 -7.643 6.104 2.312 1.00 0.63 N ATOM 390 CA GLN A 28 -9.084 6.295 2.281 1.00 0.74 C ATOM 391 C GLN A 28 -9.882 5.105 2.833 1.00 0.68 C ATOM 392 O GLN A 28 -11.073 5.270 3.078 1.00 0.76 O ATOM 393 CB GLN A 28 -9.554 6.754 0.894 1.00 0.89 C ATOM 394 CG GLN A 28 -9.341 5.658 -0.144 1.00 0.80 C ATOM 395 CD GLN A 28 -9.777 6.072 -1.545 1.00 0.95 C ATOM 396 OE1 GLN A 28 -10.677 5.470 -2.120 1.00 1.05 O ATOM 397 NE2 GLN A 28 -9.154 7.095 -2.125 1.00 1.03 N ATOM 0 H GLN A 28 -7.207 6.143 1.391 1.00 0.63 H new ATOM 0 HA GLN A 28 -9.304 7.104 2.978 1.00 0.74 H new ATOM 0 HB2 GLN A 28 -10.610 7.022 0.934 1.00 0.89 H new ATOM 0 HB3 GLN A 28 -9.008 7.650 0.599 1.00 0.89 H new ATOM 0 HG2 GLN A 28 -8.286 5.384 -0.164 1.00 0.80 H new ATOM 0 HG3 GLN A 28 -9.896 4.769 0.155 1.00 0.80 H new ATOM 0 HE21 GLN A 28 -8.407 7.584 -1.631 1.00 1.03 H new ATOM 0 HE22 GLN A 28 -9.423 7.390 -3.064 1.00 1.03 H new ATOM 406 N LEU A 29 -9.286 3.911 2.972 1.00 0.57 N ATOM 407 CA LEU A 29 -10.052 2.712 3.308 1.00 0.53 C ATOM 408 C LEU A 29 -10.742 2.839 4.671 1.00 0.52 C ATOM 409 O LEU A 29 -11.963 2.952 4.725 1.00 0.61 O ATOM 410 CB LEU A 29 -9.167 1.460 3.228 1.00 0.42 C ATOM 411 CG LEU A 29 -8.647 1.206 1.806 1.00 0.52 C ATOM 412 CD1 LEU A 29 -7.495 0.207 1.867 1.00 0.48 C ATOM 413 CD2 LEU A 29 -9.719 0.657 0.859 1.00 0.64 C ATOM 0 H LEU A 29 -8.285 3.755 2.857 1.00 0.57 H new ATOM 0 HA LEU A 29 -10.845 2.605 2.568 1.00 0.53 H new ATOM 0 HB2 LEU A 29 -8.322 1.571 3.907 1.00 0.42 H new ATOM 0 HB3 LEU A 29 -9.736 0.593 3.565 1.00 0.42 H new ATOM 0 HG LEU A 29 -8.325 2.169 1.410 1.00 0.52 H new ATOM 0 HD11 LEU A 29 -7.120 0.022 0.860 1.00 0.48 H new ATOM 0 HD12 LEU A 29 -6.693 0.613 2.483 1.00 0.48 H new ATOM 0 HD13 LEU A 29 -7.847 -0.729 2.301 1.00 0.48 H new ATOM 0 HD21 LEU A 29 -9.286 0.500 -0.129 1.00 0.64 H new ATOM 0 HD22 LEU A 29 -10.095 -0.290 1.245 1.00 0.64 H new ATOM 0 HD23 LEU A 29 -10.540 1.370 0.786 1.00 0.64 H new ATOM 425 N ALA A 30 -9.962 2.779 5.760 1.00 0.46 N ATOM 426 CA ALA A 30 -10.398 2.877 7.155 1.00 0.49 C ATOM 427 C ALA A 30 -9.285 2.414 8.104 1.00 0.44 C ATOM 428 O ALA A 30 -8.725 3.209 8.849 1.00 0.47 O ATOM 429 CB ALA A 30 -11.641 2.018 7.386 1.00 0.52 C ATOM 0 H ALA A 30 -8.953 2.654 5.683 1.00 0.46 H new ATOM 0 HA ALA A 30 -10.634 3.921 7.360 1.00 0.49 H new ATOM 0 HB1 ALA A 30 -11.953 2.101 8.427 1.00 0.52 H new ATOM 0 HB2 ALA A 30 -12.447 2.362 6.737 1.00 0.52 H new ATOM 0 HB3 ALA A 30 -11.411 0.977 7.158 1.00 0.52 H new ATOM 435 N GLY A 31 -8.991 1.107 8.080 1.00 0.40 N ATOM 436 CA GLY A 31 -8.048 0.411 8.956 1.00 0.37 C ATOM 437 C GLY A 31 -6.708 1.128 9.143 1.00 0.39 C ATOM 438 O GLY A 31 -6.104 1.068 10.214 1.00 0.49 O ATOM 0 H GLY A 31 -9.431 0.475 7.411 1.00 0.40 H new ATOM 0 HA2 GLY A 31 -8.512 0.274 9.933 1.00 0.37 H new ATOM 0 HA3 GLY A 31 -7.860 -0.583 8.550 1.00 0.37 H new ATOM 442 N VAL A 32 -6.205 1.709 8.050 1.00 0.36 N ATOM 443 CA VAL A 32 -4.902 2.325 7.952 1.00 0.35 C ATOM 444 C VAL A 32 -4.851 3.625 8.749 1.00 0.40 C ATOM 445 O VAL A 32 -5.636 4.539 8.513 1.00 0.46 O ATOM 446 CB VAL A 32 -4.491 2.448 6.480 1.00 0.36 C ATOM 447 CG1 VAL A 32 -5.640 2.790 5.550 1.00 0.46 C ATOM 448 CG2 VAL A 32 -3.382 3.471 6.253 1.00 0.41 C ATOM 0 H VAL A 32 -6.728 1.759 7.176 1.00 0.36 H new ATOM 0 HA VAL A 32 -4.148 1.690 8.416 1.00 0.35 H new ATOM 0 HB VAL A 32 -4.126 1.450 6.237 1.00 0.36 H new ATOM 0 HG11 VAL A 32 -5.271 2.860 4.527 1.00 0.46 H new ATOM 0 HG12 VAL A 32 -6.400 2.011 5.609 1.00 0.46 H new ATOM 0 HG13 VAL A 32 -6.075 3.745 5.845 1.00 0.46 H new ATOM 0 HG21 VAL A 32 -3.136 3.511 5.192 1.00 0.41 H new ATOM 0 HG22 VAL A 32 -3.719 4.453 6.585 1.00 0.41 H new ATOM 0 HG23 VAL A 32 -2.497 3.180 6.820 1.00 0.41 H new ATOM 458 N ASN A 33 -3.893 3.705 9.676 1.00 0.39 N ATOM 459 CA ASN A 33 -3.689 4.852 10.543 1.00 0.47 C ATOM 460 C ASN A 33 -2.575 5.695 9.947 1.00 0.49 C ATOM 461 O ASN A 33 -2.761 6.881 9.688 1.00 0.60 O ATOM 462 CB ASN A 33 -3.288 4.381 11.944 1.00 0.50 C ATOM 463 CG ASN A 33 -4.399 3.608 12.636 1.00 0.65 C ATOM 464 OD1 ASN A 33 -5.426 4.170 12.998 1.00 0.96 O ATOM 465 ND2 ASN A 33 -4.183 2.318 12.852 1.00 0.82 N ATOM 0 H ASN A 33 -3.225 2.952 9.843 1.00 0.39 H new ATOM 0 HA ASN A 33 -4.607 5.434 10.623 1.00 0.47 H new ATOM 0 HB2 ASN A 33 -2.401 3.751 11.873 1.00 0.50 H new ATOM 0 HB3 ASN A 33 -3.018 5.245 12.551 1.00 0.50 H new ATOM 0 HD21 ASN A 33 -4.885 1.757 13.335 1.00 0.82 H new ATOM 0 HD22 ASN A 33 -3.315 1.886 12.535 1.00 0.82 H new ATOM 472 N GLN A 34 -1.415 5.068 9.720 1.00 0.43 N ATOM 473 CA GLN A 34 -0.269 5.702 9.092 1.00 0.44 C ATOM 474 C GLN A 34 0.026 4.946 7.803 1.00 0.35 C ATOM 475 O GLN A 34 0.274 3.744 7.828 1.00 0.54 O ATOM 476 CB GLN A 34 0.930 5.699 10.052 1.00 0.51 C ATOM 477 CG GLN A 34 2.166 6.405 9.476 1.00 0.58 C ATOM 478 CD GLN A 34 1.889 7.868 9.150 1.00 0.70 C ATOM 479 OE1 GLN A 34 1.687 8.678 10.049 1.00 1.46 O ATOM 480 NE2 GLN A 34 1.855 8.225 7.869 1.00 2.32 N ATOM 0 H GLN A 34 -1.252 4.094 9.974 1.00 0.43 H new ATOM 0 HA GLN A 34 -0.476 6.746 8.856 1.00 0.44 H new ATOM 0 HB2 GLN A 34 0.643 6.186 10.984 1.00 0.51 H new ATOM 0 HB3 GLN A 34 1.189 4.669 10.297 1.00 0.51 H new ATOM 0 HG2 GLN A 34 2.986 6.342 10.192 1.00 0.58 H new ATOM 0 HG3 GLN A 34 2.491 5.888 8.573 1.00 0.58 H new ATOM 0 HE21 GLN A 34 2.027 7.531 7.141 1.00 2.32 H new ATOM 0 HE22 GLN A 34 1.657 9.193 7.614 1.00 2.32 H new ATOM 489 N VAL A 35 -0.011 5.652 6.676 1.00 0.28 N ATOM 490 CA VAL A 35 0.376 5.116 5.384 1.00 0.31 C ATOM 491 C VAL A 35 1.843 5.468 5.131 1.00 0.25 C ATOM 492 O VAL A 35 2.307 6.501 5.623 1.00 0.46 O ATOM 493 CB VAL A 35 -0.572 5.671 4.308 1.00 0.57 C ATOM 494 CG1 VAL A 35 -0.547 7.202 4.183 1.00 1.64 C ATOM 495 CG2 VAL A 35 -0.245 5.054 2.952 1.00 1.84 C ATOM 0 H VAL A 35 -0.315 6.625 6.639 1.00 0.28 H new ATOM 0 HA VAL A 35 0.290 4.030 5.356 1.00 0.31 H new ATOM 0 HB VAL A 35 -1.577 5.397 4.629 1.00 0.57 H new ATOM 0 HG11 VAL A 35 -1.242 7.515 3.404 1.00 1.64 H new ATOM 0 HG12 VAL A 35 -0.841 7.649 5.132 1.00 1.64 H new ATOM 0 HG13 VAL A 35 0.460 7.530 3.924 1.00 1.64 H new ATOM 0 HG21 VAL A 35 -0.922 5.454 2.197 1.00 1.84 H new ATOM 0 HG22 VAL A 35 0.783 5.295 2.681 1.00 1.84 H new ATOM 0 HG23 VAL A 35 -0.362 3.972 3.007 1.00 1.84 H new ATOM 505 N GLN A 36 2.569 4.624 4.387 1.00 0.25 N ATOM 506 CA GLN A 36 3.941 4.894 3.983 1.00 0.28 C ATOM 507 C GLN A 36 4.272 4.137 2.687 1.00 0.28 C ATOM 508 O GLN A 36 4.823 3.037 2.725 1.00 0.30 O ATOM 509 CB GLN A 36 4.876 4.521 5.144 1.00 0.31 C ATOM 510 CG GLN A 36 6.307 5.022 4.928 1.00 0.39 C ATOM 511 CD GLN A 36 7.206 4.616 6.088 1.00 0.72 C ATOM 512 OE1 GLN A 36 7.519 5.421 6.957 1.00 2.00 O ATOM 513 NE2 GLN A 36 7.633 3.359 6.116 1.00 0.65 N ATOM 0 H GLN A 36 2.212 3.730 4.050 1.00 0.25 H new ATOM 0 HA GLN A 36 4.078 5.953 3.765 1.00 0.28 H new ATOM 0 HB2 GLN A 36 4.484 4.939 6.071 1.00 0.31 H new ATOM 0 HB3 GLN A 36 4.888 3.438 5.263 1.00 0.31 H new ATOM 0 HG2 GLN A 36 6.702 4.616 3.997 1.00 0.39 H new ATOM 0 HG3 GLN A 36 6.305 6.107 4.827 1.00 0.39 H new ATOM 0 HE21 GLN A 36 7.357 2.710 5.379 1.00 0.65 H new ATOM 0 HE22 GLN A 36 8.237 3.042 6.874 1.00 0.65 H new ATOM 522 N VAL A 37 3.992 4.740 1.527 1.00 0.29 N ATOM 523 CA VAL A 37 4.267 4.160 0.216 1.00 0.31 C ATOM 524 C VAL A 37 5.654 4.633 -0.233 1.00 0.32 C ATOM 525 O VAL A 37 5.793 5.757 -0.713 1.00 0.51 O ATOM 526 CB VAL A 37 3.177 4.639 -0.767 1.00 0.46 C ATOM 527 CG1 VAL A 37 3.422 4.167 -2.206 1.00 2.39 C ATOM 528 CG2 VAL A 37 1.791 4.138 -0.350 1.00 1.96 C ATOM 0 H VAL A 37 3.560 5.662 1.476 1.00 0.29 H new ATOM 0 HA VAL A 37 4.256 3.071 0.250 1.00 0.31 H new ATOM 0 HB VAL A 37 3.222 5.728 -0.734 1.00 0.46 H new ATOM 0 HG11 VAL A 37 2.623 4.535 -2.850 1.00 2.39 H new ATOM 0 HG12 VAL A 37 4.379 4.553 -2.558 1.00 2.39 H new ATOM 0 HG13 VAL A 37 3.438 3.077 -2.234 1.00 2.39 H new ATOM 0 HG21 VAL A 37 1.046 4.493 -1.063 1.00 1.96 H new ATOM 0 HG22 VAL A 37 1.788 3.048 -0.334 1.00 1.96 H new ATOM 0 HG23 VAL A 37 1.551 4.516 0.644 1.00 1.96 H new ATOM 538 N LEU A 38 6.690 3.790 -0.098 1.00 0.26 N ATOM 539 CA LEU A 38 8.040 4.152 -0.490 1.00 0.29 C ATOM 540 C LEU A 38 8.282 3.588 -1.887 1.00 0.27 C ATOM 541 O LEU A 38 8.856 2.514 -2.090 1.00 0.28 O ATOM 542 CB LEU A 38 9.055 3.676 0.555 1.00 0.33 C ATOM 543 CG LEU A 38 10.471 4.151 0.207 1.00 0.38 C ATOM 544 CD1 LEU A 38 10.648 5.666 0.362 1.00 0.53 C ATOM 545 CD2 LEU A 38 11.469 3.443 1.132 1.00 0.45 C ATOM 0 H LEU A 38 6.606 2.848 0.284 1.00 0.26 H new ATOM 0 HA LEU A 38 8.167 5.234 -0.532 1.00 0.29 H new ATOM 0 HB2 LEU A 38 8.773 4.053 1.538 1.00 0.33 H new ATOM 0 HB3 LEU A 38 9.038 2.588 0.614 1.00 0.33 H new ATOM 0 HG LEU A 38 10.648 3.907 -0.841 1.00 0.38 H new ATOM 0 HD11 LEU A 38 11.670 5.941 0.102 1.00 0.53 H new ATOM 0 HD12 LEU A 38 9.953 6.183 -0.300 1.00 0.53 H new ATOM 0 HD13 LEU A 38 10.447 5.952 1.394 1.00 0.53 H new ATOM 0 HD21 LEU A 38 12.481 3.772 0.895 1.00 0.45 H new ATOM 0 HD22 LEU A 38 11.241 3.689 2.169 1.00 0.45 H new ATOM 0 HD23 LEU A 38 11.395 2.365 0.990 1.00 0.45 H new ATOM 557 N PHE A 39 7.805 4.351 -2.867 1.00 0.29 N ATOM 558 CA PHE A 39 7.992 4.047 -4.270 1.00 0.32 C ATOM 559 C PHE A 39 9.477 3.972 -4.628 1.00 0.36 C ATOM 560 O PHE A 39 10.341 4.342 -3.832 1.00 0.38 O ATOM 561 CB PHE A 39 7.263 5.096 -5.107 1.00 0.38 C ATOM 562 CG PHE A 39 8.003 6.399 -5.295 1.00 0.25 C ATOM 563 CD1 PHE A 39 7.848 7.468 -4.395 1.00 1.71 C ATOM 564 CD2 PHE A 39 8.791 6.562 -6.448 1.00 1.80 C ATOM 565 CE1 PHE A 39 8.363 8.733 -4.727 1.00 1.75 C ATOM 566 CE2 PHE A 39 9.301 7.822 -6.778 1.00 1.84 C ATOM 567 CZ PHE A 39 9.024 8.919 -5.955 1.00 0.57 C ATOM 0 H PHE A 39 7.273 5.205 -2.700 1.00 0.29 H new ATOM 0 HA PHE A 39 7.570 3.066 -4.486 1.00 0.32 H new ATOM 0 HB2 PHE A 39 7.053 4.672 -6.089 1.00 0.38 H new ATOM 0 HB3 PHE A 39 6.302 5.307 -4.638 1.00 0.38 H new ATOM 0 HD1 PHE A 39 7.337 7.318 -3.455 1.00 1.71 H new ATOM 0 HD2 PHE A 39 9.003 5.712 -7.080 1.00 1.80 H new ATOM 0 HE1 PHE A 39 8.252 9.560 -4.041 1.00 1.75 H new ATOM 0 HE2 PHE A 39 9.906 7.947 -7.664 1.00 1.84 H new ATOM 0 HZ PHE A 39 9.318 9.911 -6.263 1.00 0.57 H new ATOM 577 N ALA A 40 9.768 3.456 -5.823 1.00 0.43 N ATOM 578 CA ALA A 40 11.101 3.224 -6.370 1.00 0.50 C ATOM 579 C ALA A 40 11.766 2.036 -5.675 1.00 0.54 C ATOM 580 O ALA A 40 12.269 1.132 -6.334 1.00 0.67 O ATOM 581 CB ALA A 40 11.970 4.489 -6.346 1.00 0.55 C ATOM 0 H ALA A 40 9.034 3.173 -6.472 1.00 0.43 H new ATOM 0 HA ALA A 40 10.992 2.967 -7.424 1.00 0.50 H new ATOM 0 HB1 ALA A 40 12.952 4.264 -6.763 1.00 0.55 H new ATOM 0 HB2 ALA A 40 11.493 5.269 -6.940 1.00 0.55 H new ATOM 0 HB3 ALA A 40 12.083 4.833 -5.318 1.00 0.55 H new ATOM 587 N THR A 41 11.728 2.004 -4.341 1.00 0.55 N ATOM 588 CA THR A 41 12.268 0.911 -3.549 1.00 0.52 C ATOM 589 C THR A 41 11.378 -0.341 -3.561 1.00 0.66 C ATOM 590 O THR A 41 11.727 -1.323 -2.912 1.00 1.07 O ATOM 591 CB THR A 41 12.550 1.385 -2.122 1.00 0.63 C ATOM 592 OG1 THR A 41 11.341 1.569 -1.430 1.00 2.64 O ATOM 593 CG2 THR A 41 13.359 2.689 -2.096 1.00 1.93 C ATOM 0 H THR A 41 11.315 2.748 -3.779 1.00 0.55 H new ATOM 0 HA THR A 41 13.206 0.609 -4.014 1.00 0.52 H new ATOM 0 HB THR A 41 13.146 0.613 -1.635 1.00 0.63 H new ATOM 0 HG1 THR A 41 10.665 1.928 -2.042 1.00 2.64 H new ATOM 0 HG21 THR A 41 13.535 2.987 -1.063 1.00 1.93 H new ATOM 0 HG22 THR A 41 14.315 2.534 -2.597 1.00 1.93 H new ATOM 0 HG23 THR A 41 12.802 3.473 -2.610 1.00 1.93 H new ATOM 601 N GLU A 42 10.240 -0.309 -4.273 1.00 0.63 N ATOM 602 CA GLU A 42 9.319 -1.434 -4.386 1.00 0.72 C ATOM 603 C GLU A 42 8.801 -1.834 -2.999 1.00 0.57 C ATOM 604 O GLU A 42 8.750 -3.019 -2.697 1.00 0.80 O ATOM 605 CB GLU A 42 10.013 -2.587 -5.164 1.00 0.93 C ATOM 606 CG GLU A 42 9.148 -3.833 -5.438 1.00 1.84 C ATOM 607 CD GLU A 42 9.756 -4.789 -6.457 1.00 2.84 C ATOM 608 OE1 GLU A 42 10.034 -4.322 -7.583 1.00 3.21 O ATOM 609 OE2 GLU A 42 9.889 -5.983 -6.110 1.00 4.02 O ATOM 0 H GLU A 42 9.936 0.515 -4.791 1.00 0.63 H new ATOM 0 HA GLU A 42 8.435 -1.158 -4.961 1.00 0.72 H new ATOM 0 HB2 GLU A 42 10.363 -2.195 -6.119 1.00 0.93 H new ATOM 0 HB3 GLU A 42 10.895 -2.897 -4.604 1.00 0.93 H new ATOM 0 HG2 GLU A 42 8.989 -4.367 -4.501 1.00 1.84 H new ATOM 0 HG3 GLU A 42 8.168 -3.513 -5.793 1.00 1.84 H new ATOM 616 N LYS A 43 8.378 -0.898 -2.131 1.00 0.38 N ATOM 617 CA LYS A 43 7.899 -1.325 -0.826 1.00 0.40 C ATOM 618 C LYS A 43 7.010 -0.267 -0.202 1.00 0.44 C ATOM 619 O LYS A 43 7.361 0.904 -0.079 1.00 0.66 O ATOM 620 CB LYS A 43 9.092 -1.760 0.037 1.00 0.52 C ATOM 621 CG LYS A 43 8.829 -2.302 1.438 1.00 1.38 C ATOM 622 CD LYS A 43 8.690 -1.147 2.430 1.00 0.98 C ATOM 623 CE LYS A 43 9.274 -1.513 3.807 1.00 1.64 C ATOM 624 NZ LYS A 43 8.855 -2.830 4.333 1.00 3.15 N ATOM 0 H LYS A 43 8.361 0.107 -2.305 1.00 0.38 H new ATOM 0 HA LYS A 43 7.256 -2.200 -0.920 1.00 0.40 H new ATOM 0 HB2 LYS A 43 9.637 -2.525 -0.516 1.00 0.52 H new ATOM 0 HB3 LYS A 43 9.758 -0.903 0.135 1.00 0.52 H new ATOM 0 HG2 LYS A 43 7.920 -2.904 1.439 1.00 1.38 H new ATOM 0 HG3 LYS A 43 9.645 -2.957 1.742 1.00 1.38 H new ATOM 0 HD2 LYS A 43 9.201 -0.267 2.039 1.00 0.98 H new ATOM 0 HD3 LYS A 43 7.638 -0.883 2.538 1.00 0.98 H new ATOM 0 HE2 LYS A 43 10.362 -1.495 3.740 1.00 1.64 H new ATOM 0 HE3 LYS A 43 8.986 -0.744 4.523 1.00 1.64 H new ATOM 0 HZ1 LYS A 43 9.283 -2.982 5.269 1.00 3.15 H new ATOM 0 HZ2 LYS A 43 7.819 -2.856 4.417 1.00 3.15 H new ATOM 0 HZ3 LYS A 43 9.169 -3.579 3.683 1.00 3.15 H new ATOM 638 N LEU A 44 5.814 -0.705 0.170 1.00 0.24 N ATOM 639 CA LEU A 44 4.766 0.101 0.703 1.00 0.20 C ATOM 640 C LEU A 44 4.462 -0.529 2.044 1.00 0.21 C ATOM 641 O LEU A 44 4.332 -1.746 2.127 1.00 0.54 O ATOM 642 CB LEU A 44 3.648 0.012 -0.328 1.00 0.37 C ATOM 643 CG LEU A 44 2.239 -0.158 0.176 1.00 0.55 C ATOM 644 CD1 LEU A 44 1.873 0.831 1.268 1.00 0.65 C ATOM 645 CD2 LEU A 44 1.344 -0.020 -1.040 1.00 0.90 C ATOM 0 H LEU A 44 5.553 -1.688 0.097 1.00 0.24 H new ATOM 0 HA LEU A 44 4.969 1.159 0.870 1.00 0.20 H new ATOM 0 HB2 LEU A 44 3.680 0.917 -0.935 1.00 0.37 H new ATOM 0 HB3 LEU A 44 3.870 -0.824 -0.991 1.00 0.37 H new ATOM 0 HG LEU A 44 2.120 -1.132 0.651 1.00 0.55 H new ATOM 0 HD11 LEU A 44 0.846 0.656 1.588 1.00 0.65 H new ATOM 0 HD12 LEU A 44 2.545 0.701 2.117 1.00 0.65 H new ATOM 0 HD13 LEU A 44 1.965 1.847 0.885 1.00 0.65 H new ATOM 0 HD21 LEU A 44 0.302 -0.134 -0.740 1.00 0.90 H new ATOM 0 HD22 LEU A 44 1.487 0.964 -1.487 1.00 0.90 H new ATOM 0 HD23 LEU A 44 1.598 -0.790 -1.768 1.00 0.90 H new ATOM 657 N VAL A 45 4.408 0.300 3.079 1.00 0.23 N ATOM 658 CA VAL A 45 4.159 -0.025 4.456 1.00 0.21 C ATOM 659 C VAL A 45 2.862 0.661 4.849 1.00 0.20 C ATOM 660 O VAL A 45 2.561 1.772 4.404 1.00 0.25 O ATOM 661 CB VAL A 45 5.343 0.449 5.315 1.00 0.24 C ATOM 662 CG1 VAL A 45 4.936 0.873 6.728 1.00 0.29 C ATOM 663 CG2 VAL A 45 6.349 -0.691 5.443 1.00 0.29 C ATOM 0 H VAL A 45 4.551 1.302 2.952 1.00 0.23 H new ATOM 0 HA VAL A 45 4.062 -1.100 4.610 1.00 0.21 H new ATOM 0 HB VAL A 45 5.764 1.320 4.813 1.00 0.24 H new ATOM 0 HG11 VAL A 45 5.819 1.196 7.280 1.00 0.29 H new ATOM 0 HG12 VAL A 45 4.223 1.696 6.670 1.00 0.29 H new ATOM 0 HG13 VAL A 45 4.475 0.030 7.242 1.00 0.29 H new ATOM 0 HG21 VAL A 45 7.193 -0.365 6.051 1.00 0.29 H new ATOM 0 HG22 VAL A 45 5.870 -1.548 5.917 1.00 0.29 H new ATOM 0 HG23 VAL A 45 6.704 -0.976 4.453 1.00 0.29 H new ATOM 673 N VAL A 46 2.116 -0.018 5.711 1.00 0.24 N ATOM 674 CA VAL A 46 0.862 0.450 6.250 1.00 0.21 C ATOM 675 C VAL A 46 0.866 0.090 7.732 1.00 0.23 C ATOM 676 O VAL A 46 1.092 -1.072 8.072 1.00 0.29 O ATOM 677 CB VAL A 46 -0.255 -0.222 5.434 1.00 0.31 C ATOM 678 CG1 VAL A 46 -1.519 -0.528 6.226 1.00 0.62 C ATOM 679 CG2 VAL A 46 -0.638 0.655 4.236 1.00 0.43 C ATOM 0 H VAL A 46 2.383 -0.938 6.060 1.00 0.24 H new ATOM 0 HA VAL A 46 0.705 1.526 6.177 1.00 0.21 H new ATOM 0 HB VAL A 46 0.163 -1.177 5.116 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -2.252 -1.000 5.573 1.00 0.62 H new ATOM 0 HG12 VAL A 46 -1.279 -1.202 7.049 1.00 0.62 H new ATOM 0 HG13 VAL A 46 -1.932 0.399 6.625 1.00 0.62 H new ATOM 0 HG21 VAL A 46 -1.430 0.168 3.667 1.00 0.43 H new ATOM 0 HG22 VAL A 46 -0.990 1.623 4.592 1.00 0.43 H new ATOM 0 HG23 VAL A 46 0.233 0.798 3.597 1.00 0.43 H new ATOM 689 N ASP A 47 0.632 1.083 8.597 1.00 0.31 N ATOM 690 CA ASP A 47 0.389 0.879 10.014 1.00 0.29 C ATOM 691 C ASP A 47 -1.119 0.958 10.140 1.00 0.28 C ATOM 692 O ASP A 47 -1.700 2.042 10.047 1.00 0.34 O ATOM 693 CB ASP A 47 1.066 1.959 10.866 1.00 0.34 C ATOM 694 CG ASP A 47 1.465 1.461 12.254 1.00 1.82 C ATOM 695 OD1 ASP A 47 2.115 0.399 12.320 1.00 2.28 O ATOM 696 OD2 ASP A 47 1.133 2.165 13.238 1.00 3.50 O ATOM 0 H ASP A 47 0.607 2.064 8.319 1.00 0.31 H new ATOM 0 HA ASP A 47 0.797 -0.067 10.370 1.00 0.29 H new ATOM 0 HB2 ASP A 47 1.954 2.320 10.347 1.00 0.34 H new ATOM 0 HB3 ASP A 47 0.390 2.808 10.971 1.00 0.34 H new ATOM 701 N ALA A 48 -1.752 -0.201 10.249 1.00 0.31 N ATOM 702 CA ALA A 48 -3.194 -0.331 10.269 1.00 0.38 C ATOM 703 C ALA A 48 -3.569 -1.076 11.531 1.00 0.48 C ATOM 704 O ALA A 48 -2.940 -2.083 11.851 1.00 0.70 O ATOM 705 CB ALA A 48 -3.681 -1.076 9.024 1.00 0.46 C ATOM 0 H ALA A 48 -1.264 -1.093 10.327 1.00 0.31 H new ATOM 0 HA ALA A 48 -3.668 0.650 10.261 1.00 0.38 H new ATOM 0 HB1 ALA A 48 -4.767 -1.165 9.055 1.00 0.46 H new ATOM 0 HB2 ALA A 48 -3.387 -0.524 8.131 1.00 0.46 H new ATOM 0 HB3 ALA A 48 -3.236 -2.071 8.998 1.00 0.46 H new ATOM 711 N ASP A 49 -4.572 -0.567 12.244 1.00 0.48 N ATOM 712 CA ASP A 49 -5.054 -1.201 13.466 1.00 0.62 C ATOM 713 C ASP A 49 -6.454 -1.746 13.202 1.00 0.70 C ATOM 714 O ASP A 49 -7.437 -1.389 13.848 1.00 0.80 O ATOM 715 CB ASP A 49 -4.985 -0.213 14.638 1.00 0.71 C ATOM 716 CG ASP A 49 -5.045 -0.908 15.992 1.00 2.12 C ATOM 717 OD1 ASP A 49 -5.227 -2.144 16.009 1.00 3.61 O ATOM 718 OD2 ASP A 49 -4.845 -0.183 16.988 1.00 2.65 O ATOM 0 H ASP A 49 -5.068 0.288 11.993 1.00 0.48 H new ATOM 0 HA ASP A 49 -4.422 -2.041 13.754 1.00 0.62 H new ATOM 0 HB2 ASP A 49 -4.062 0.363 14.570 1.00 0.71 H new ATOM 0 HB3 ASP A 49 -5.809 0.496 14.560 1.00 0.71 H new ATOM 723 N ASN A 50 -6.524 -2.602 12.182 1.00 0.73 N ATOM 724 CA ASN A 50 -7.663 -3.398 11.789 1.00 0.83 C ATOM 725 C ASN A 50 -7.063 -4.440 10.835 1.00 0.90 C ATOM 726 O ASN A 50 -6.078 -5.079 11.203 1.00 1.31 O ATOM 727 CB ASN A 50 -8.722 -2.478 11.177 1.00 0.94 C ATOM 728 CG ASN A 50 -9.966 -3.230 10.739 1.00 1.74 C ATOM 729 OD1 ASN A 50 -10.579 -3.965 11.502 1.00 2.54 O ATOM 730 ND2 ASN A 50 -10.311 -3.078 9.466 1.00 2.48 N ATOM 0 H ASN A 50 -5.722 -2.761 11.571 1.00 0.73 H new ATOM 0 HA ASN A 50 -8.188 -3.908 12.596 1.00 0.83 H new ATOM 0 HB2 ASN A 50 -9.000 -1.716 11.905 1.00 0.94 H new ATOM 0 HB3 ASN A 50 -8.295 -1.959 10.319 1.00 0.94 H new ATOM 0 HD21 ASN A 50 -11.114 -3.584 9.091 1.00 2.48 H new ATOM 0 HD22 ASN A 50 -9.774 -2.455 8.863 1.00 2.48 H new ATOM 737 N ASP A 51 -7.548 -4.577 9.595 1.00 0.85 N ATOM 738 CA ASP A 51 -7.134 -5.669 8.724 1.00 0.81 C ATOM 739 C ASP A 51 -7.211 -5.290 7.245 1.00 1.00 C ATOM 740 O ASP A 51 -7.344 -6.131 6.358 1.00 2.46 O ATOM 741 CB ASP A 51 -8.056 -6.844 9.030 1.00 0.95 C ATOM 742 CG ASP A 51 -7.554 -8.151 8.423 1.00 1.29 C ATOM 743 OD1 ASP A 51 -6.318 -8.276 8.242 1.00 1.45 O ATOM 744 OD2 ASP A 51 -8.397 -9.038 8.190 1.00 2.51 O ATOM 0 H ASP A 51 -8.228 -3.941 9.178 1.00 0.85 H new ATOM 0 HA ASP A 51 -6.090 -5.921 8.912 1.00 0.81 H new ATOM 0 HB2 ASP A 51 -8.147 -6.959 10.110 1.00 0.95 H new ATOM 0 HB3 ASP A 51 -9.054 -6.629 8.648 1.00 0.95 H new ATOM 749 N ILE A 52 -7.128 -3.992 6.953 1.00 0.75 N ATOM 750 CA ILE A 52 -7.303 -3.526 5.589 1.00 0.68 C ATOM 751 C ILE A 52 -6.241 -4.048 4.635 1.00 0.57 C ATOM 752 O ILE A 52 -6.473 -3.987 3.447 1.00 0.42 O ATOM 753 CB ILE A 52 -7.363 -2.001 5.489 1.00 0.69 C ATOM 754 CG1 ILE A 52 -6.145 -1.327 6.132 1.00 0.71 C ATOM 755 CG2 ILE A 52 -8.683 -1.478 6.037 1.00 0.79 C ATOM 756 CD1 ILE A 52 -5.039 -1.138 5.100 1.00 0.83 C ATOM 0 H ILE A 52 -6.943 -3.258 7.636 1.00 0.75 H new ATOM 0 HA ILE A 52 -8.266 -3.937 5.285 1.00 0.68 H new ATOM 0 HB ILE A 52 -7.321 -1.734 4.433 1.00 0.69 H new ATOM 0 HG12 ILE A 52 -6.433 -0.361 6.548 1.00 0.71 H new ATOM 0 HG13 ILE A 52 -5.779 -1.935 6.960 1.00 0.71 H new ATOM 0 HG21 ILE A 52 -8.705 -0.391 5.957 1.00 0.79 H new ATOM 0 HG22 ILE A 52 -9.508 -1.901 5.464 1.00 0.79 H new ATOM 0 HG23 ILE A 52 -8.782 -1.766 7.083 1.00 0.79 H new ATOM 0 HD11 ILE A 52 -4.181 -0.658 5.570 1.00 0.83 H new ATOM 0 HD12 ILE A 52 -4.741 -2.109 4.704 1.00 0.83 H new ATOM 0 HD13 ILE A 52 -5.404 -0.511 4.286 1.00 0.83 H new ATOM 768 N ARG A 53 -5.072 -4.503 5.083 1.00 0.89 N ATOM 769 CA ARG A 53 -4.009 -4.970 4.185 1.00 0.68 C ATOM 770 C ARG A 53 -4.487 -5.853 3.026 1.00 0.45 C ATOM 771 O ARG A 53 -3.993 -5.693 1.917 1.00 0.33 O ATOM 772 CB ARG A 53 -2.922 -5.728 4.949 1.00 0.84 C ATOM 773 CG ARG A 53 -3.636 -6.622 5.941 1.00 0.75 C ATOM 774 CD ARG A 53 -3.096 -8.026 6.102 1.00 1.23 C ATOM 775 NE ARG A 53 -3.926 -8.681 7.133 1.00 1.65 N ATOM 776 CZ ARG A 53 -3.643 -9.734 7.908 1.00 1.76 C ATOM 777 NH1 ARG A 53 -2.492 -10.396 7.763 1.00 1.84 N ATOM 778 NH2 ARG A 53 -4.544 -10.102 8.820 1.00 2.24 N ATOM 0 H ARG A 53 -4.833 -4.560 6.073 1.00 0.89 H new ATOM 0 HA ARG A 53 -3.612 -4.052 3.752 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -2.308 -6.317 4.268 1.00 0.84 H new ATOM 0 HB3 ARG A 53 -2.254 -5.036 5.462 1.00 0.84 H new ATOM 0 HG2 ARG A 53 -3.613 -6.135 6.916 1.00 0.75 H new ATOM 0 HG3 ARG A 53 -4.682 -6.692 5.644 1.00 0.75 H new ATOM 0 HD2 ARG A 53 -3.147 -8.571 5.160 1.00 1.23 H new ATOM 0 HD3 ARG A 53 -2.048 -8.006 6.403 1.00 1.23 H new ATOM 0 HE ARG A 53 -4.849 -8.271 7.275 1.00 1.65 H new ATOM 0 HH11 ARG A 53 -1.819 -10.100 7.056 1.00 1.84 H new ATOM 0 HH12 ARG A 53 -2.286 -11.198 8.359 1.00 1.84 H new ATOM 0 HH21 ARG A 53 -5.418 -9.585 8.911 1.00 2.24 H new ATOM 0 HH22 ARG A 53 -4.359 -10.901 9.427 1.00 2.24 H new ATOM 792 N ALA A 54 -5.420 -6.784 3.250 1.00 0.53 N ATOM 793 CA ALA A 54 -5.962 -7.609 2.176 1.00 0.44 C ATOM 794 C ALA A 54 -6.771 -6.729 1.219 1.00 0.31 C ATOM 795 O ALA A 54 -6.728 -6.891 0.002 1.00 0.51 O ATOM 796 CB ALA A 54 -6.821 -8.724 2.779 1.00 0.55 C ATOM 0 H ALA A 54 -5.814 -6.982 4.170 1.00 0.53 H new ATOM 0 HA ALA A 54 -5.155 -8.072 1.608 1.00 0.44 H new ATOM 0 HB1 ALA A 54 -7.228 -9.343 1.979 1.00 0.55 H new ATOM 0 HB2 ALA A 54 -6.208 -9.339 3.438 1.00 0.55 H new ATOM 0 HB3 ALA A 54 -7.639 -8.285 3.350 1.00 0.55 H new ATOM 802 N GLN A 55 -7.485 -5.762 1.795 1.00 0.20 N ATOM 803 CA GLN A 55 -8.168 -4.694 1.094 1.00 0.23 C ATOM 804 C GLN A 55 -7.180 -3.886 0.250 1.00 0.27 C ATOM 805 O GLN A 55 -7.412 -3.688 -0.938 1.00 0.35 O ATOM 806 CB GLN A 55 -8.982 -3.852 2.094 1.00 0.30 C ATOM 807 CG GLN A 55 -10.405 -3.565 1.595 1.00 1.18 C ATOM 808 CD GLN A 55 -11.237 -2.828 2.643 1.00 2.12 C ATOM 809 OE1 GLN A 55 -11.747 -1.742 2.393 1.00 3.56 O ATOM 810 NE2 GLN A 55 -11.391 -3.406 3.831 1.00 1.76 N ATOM 0 H GLN A 55 -7.603 -5.706 2.807 1.00 0.20 H new ATOM 0 HA GLN A 55 -8.886 -5.106 0.385 1.00 0.23 H new ATOM 0 HB2 GLN A 55 -9.033 -4.376 3.049 1.00 0.30 H new ATOM 0 HB3 GLN A 55 -8.466 -2.909 2.275 1.00 0.30 H new ATOM 0 HG2 GLN A 55 -10.357 -2.968 0.684 1.00 1.18 H new ATOM 0 HG3 GLN A 55 -10.895 -4.503 1.336 1.00 1.18 H new ATOM 0 HE21 GLN A 55 -10.958 -4.310 4.018 1.00 1.76 H new ATOM 0 HE22 GLN A 55 -11.942 -2.945 4.555 1.00 1.76 H new ATOM 819 N VAL A 56 -6.067 -3.456 0.845 1.00 0.29 N ATOM 820 CA VAL A 56 -5.020 -2.703 0.183 1.00 0.32 C ATOM 821 C VAL A 56 -4.478 -3.516 -0.977 1.00 0.20 C ATOM 822 O VAL A 56 -4.404 -3.027 -2.098 1.00 0.30 O ATOM 823 CB VAL A 56 -3.911 -2.305 1.146 1.00 0.47 C ATOM 824 CG1 VAL A 56 -2.708 -1.739 0.385 1.00 0.42 C ATOM 825 CG2 VAL A 56 -4.456 -1.214 2.052 1.00 0.85 C ATOM 0 H VAL A 56 -5.870 -3.631 1.830 1.00 0.29 H new ATOM 0 HA VAL A 56 -5.446 -1.774 -0.197 1.00 0.32 H new ATOM 0 HB VAL A 56 -3.591 -3.180 1.711 1.00 0.47 H new ATOM 0 HG11 VAL A 56 -1.927 -1.461 1.093 1.00 0.42 H new ATOM 0 HG12 VAL A 56 -2.324 -2.494 -0.301 1.00 0.42 H new ATOM 0 HG13 VAL A 56 -3.016 -0.859 -0.179 1.00 0.42 H new ATOM 0 HG21 VAL A 56 -3.683 -0.906 2.756 1.00 0.85 H new ATOM 0 HG22 VAL A 56 -4.760 -0.358 1.449 1.00 0.85 H new ATOM 0 HG23 VAL A 56 -5.317 -1.594 2.602 1.00 0.85 H new ATOM 835 N GLU A 57 -4.095 -4.755 -0.682 1.00 0.21 N ATOM 836 CA GLU A 57 -3.511 -5.663 -1.637 1.00 0.40 C ATOM 837 C GLU A 57 -4.468 -5.776 -2.818 1.00 0.40 C ATOM 838 O GLU A 57 -4.136 -5.360 -3.924 1.00 0.41 O ATOM 839 CB GLU A 57 -3.200 -6.994 -0.936 1.00 0.66 C ATOM 840 CG GLU A 57 -2.404 -8.033 -1.738 1.00 1.73 C ATOM 841 CD GLU A 57 -3.161 -8.550 -2.956 1.00 2.35 C ATOM 842 OE1 GLU A 57 -4.336 -8.933 -2.773 1.00 2.76 O ATOM 843 OE2 GLU A 57 -2.565 -8.527 -4.053 1.00 3.89 O ATOM 0 H GLU A 57 -4.188 -5.155 0.252 1.00 0.21 H new ATOM 0 HA GLU A 57 -2.559 -5.307 -2.031 1.00 0.40 H new ATOM 0 HB2 GLU A 57 -2.647 -6.775 -0.022 1.00 0.66 H new ATOM 0 HB3 GLU A 57 -4.144 -7.448 -0.636 1.00 0.66 H new ATOM 0 HG2 GLU A 57 -1.462 -7.590 -2.063 1.00 1.73 H new ATOM 0 HG3 GLU A 57 -2.154 -8.872 -1.089 1.00 1.73 H new ATOM 850 N SER A 58 -5.692 -6.235 -2.552 1.00 0.48 N ATOM 851 CA SER A 58 -6.717 -6.381 -3.566 1.00 0.72 C ATOM 852 C SER A 58 -6.904 -5.069 -4.334 1.00 0.79 C ATOM 853 O SER A 58 -7.026 -5.083 -5.555 1.00 0.96 O ATOM 854 CB SER A 58 -8.024 -6.850 -2.910 1.00 0.84 C ATOM 855 OG SER A 58 -8.963 -7.258 -3.892 1.00 1.14 O ATOM 0 H SER A 58 -5.994 -6.515 -1.619 1.00 0.48 H new ATOM 0 HA SER A 58 -6.409 -7.136 -4.290 1.00 0.72 H new ATOM 0 HB2 SER A 58 -7.819 -7.677 -2.231 1.00 0.84 H new ATOM 0 HB3 SER A 58 -8.445 -6.043 -2.311 1.00 0.84 H new ATOM 0 HG SER A 58 -9.638 -7.837 -3.479 1.00 1.14 H new ATOM 861 N ALA A 59 -6.935 -3.935 -3.630 1.00 0.72 N ATOM 862 CA ALA A 59 -7.198 -2.631 -4.215 1.00 0.87 C ATOM 863 C ALA A 59 -6.090 -2.249 -5.185 1.00 0.83 C ATOM 864 O ALA A 59 -6.370 -1.800 -6.290 1.00 0.91 O ATOM 865 CB ALA A 59 -7.325 -1.572 -3.120 1.00 0.90 C ATOM 0 H ALA A 59 -6.775 -3.903 -2.623 1.00 0.72 H new ATOM 0 HA ALA A 59 -8.139 -2.684 -4.763 1.00 0.87 H new ATOM 0 HB1 ALA A 59 -7.522 -0.601 -3.574 1.00 0.90 H new ATOM 0 HB2 ALA A 59 -8.147 -1.834 -2.454 1.00 0.90 H new ATOM 0 HB3 ALA A 59 -6.397 -1.525 -2.550 1.00 0.90 H new ATOM 871 N LEU A 60 -4.832 -2.416 -4.782 1.00 0.68 N ATOM 872 CA LEU A 60 -3.693 -2.118 -5.628 1.00 0.58 C ATOM 873 C LEU A 60 -3.656 -3.079 -6.811 1.00 0.66 C ATOM 874 O LEU A 60 -3.455 -2.662 -7.954 1.00 0.76 O ATOM 875 CB LEU A 60 -2.393 -2.210 -4.825 1.00 0.32 C ATOM 876 CG LEU A 60 -1.887 -0.828 -4.389 1.00 0.49 C ATOM 877 CD1 LEU A 60 -2.760 -0.299 -3.252 1.00 0.55 C ATOM 878 CD2 LEU A 60 -0.426 -0.904 -3.939 1.00 0.66 C ATOM 0 H LEU A 60 -4.580 -2.763 -3.856 1.00 0.68 H new ATOM 0 HA LEU A 60 -3.793 -1.100 -6.005 1.00 0.58 H new ATOM 0 HB2 LEU A 60 -2.554 -2.831 -3.944 1.00 0.32 H new ATOM 0 HB3 LEU A 60 -1.629 -2.702 -5.427 1.00 0.32 H new ATOM 0 HG LEU A 60 -1.947 -0.148 -5.239 1.00 0.49 H new ATOM 0 HD11 LEU A 60 -2.400 0.682 -2.943 1.00 0.55 H new ATOM 0 HD12 LEU A 60 -3.792 -0.216 -3.594 1.00 0.55 H new ATOM 0 HD13 LEU A 60 -2.712 -0.986 -2.407 1.00 0.55 H new ATOM 0 HD21 LEU A 60 -0.087 0.086 -3.634 1.00 0.66 H new ATOM 0 HD22 LEU A 60 -0.340 -1.592 -3.098 1.00 0.66 H new ATOM 0 HD23 LEU A 60 0.191 -1.260 -4.764 1.00 0.66 H new ATOM 890 N GLN A 61 -3.844 -4.371 -6.533 1.00 0.74 N ATOM 891 CA GLN A 61 -3.845 -5.394 -7.561 1.00 1.01 C ATOM 892 C GLN A 61 -4.927 -5.063 -8.605 1.00 1.25 C ATOM 893 O GLN A 61 -4.679 -5.130 -9.806 1.00 1.39 O ATOM 894 CB GLN A 61 -4.031 -6.750 -6.870 1.00 1.10 C ATOM 895 CG GLN A 61 -3.381 -7.927 -7.603 1.00 1.90 C ATOM 896 CD GLN A 61 -1.848 -7.922 -7.543 1.00 3.02 C ATOM 897 OE1 GLN A 61 -1.184 -7.783 -8.564 1.00 4.78 O ATOM 898 NE2 GLN A 61 -1.268 -8.106 -6.361 1.00 2.97 N ATOM 0 H GLN A 61 -3.999 -4.728 -5.590 1.00 0.74 H new ATOM 0 HA GLN A 61 -2.905 -5.435 -8.111 1.00 1.01 H new ATOM 0 HB2 GLN A 61 -3.617 -6.691 -5.863 1.00 1.10 H new ATOM 0 HB3 GLN A 61 -5.098 -6.947 -6.765 1.00 1.10 H new ATOM 0 HG2 GLN A 61 -3.749 -8.859 -7.174 1.00 1.90 H new ATOM 0 HG3 GLN A 61 -3.695 -7.911 -8.647 1.00 1.90 H new ATOM 0 HE21 GLN A 61 -1.840 -8.219 -5.524 1.00 2.97 H new ATOM 0 HE22 GLN A 61 -0.251 -8.134 -6.291 1.00 2.97 H new ATOM 907 N LYS A 62 -6.112 -4.642 -8.147 1.00 1.30 N ATOM 908 CA LYS A 62 -7.203 -4.159 -8.992 1.00 1.51 C ATOM 909 C LYS A 62 -6.823 -2.884 -9.750 1.00 1.51 C ATOM 910 O LYS A 62 -7.040 -2.793 -10.955 1.00 1.73 O ATOM 911 CB LYS A 62 -8.458 -3.933 -8.156 1.00 1.58 C ATOM 912 CG LYS A 62 -9.113 -5.288 -7.869 1.00 2.24 C ATOM 913 CD LYS A 62 -10.088 -5.090 -6.719 1.00 1.92 C ATOM 914 CE LYS A 62 -10.882 -6.370 -6.420 1.00 2.97 C ATOM 915 NZ LYS A 62 -11.268 -6.454 -4.997 1.00 3.64 N ATOM 0 H LYS A 62 -6.341 -4.629 -7.153 1.00 1.30 H new ATOM 0 HA LYS A 62 -7.405 -4.928 -9.738 1.00 1.51 H new ATOM 0 HB2 LYS A 62 -8.204 -3.432 -7.222 1.00 1.58 H new ATOM 0 HB3 LYS A 62 -9.153 -3.283 -8.688 1.00 1.58 H new ATOM 0 HG2 LYS A 62 -9.633 -5.657 -8.753 1.00 2.24 H new ATOM 0 HG3 LYS A 62 -8.359 -6.031 -7.609 1.00 2.24 H new ATOM 0 HD2 LYS A 62 -9.541 -4.784 -5.827 1.00 1.92 H new ATOM 0 HD3 LYS A 62 -10.778 -4.282 -6.962 1.00 1.92 H new ATOM 0 HE2 LYS A 62 -11.777 -6.397 -7.042 1.00 2.97 H new ATOM 0 HE3 LYS A 62 -10.283 -7.241 -6.686 1.00 2.97 H new ATOM 0 HZ1 LYS A 62 -11.773 -7.347 -4.826 1.00 3.64 H new ATOM 0 HZ2 LYS A 62 -10.415 -6.420 -4.403 1.00 3.64 H new ATOM 0 HZ3 LYS A 62 -11.889 -5.654 -4.758 1.00 3.64 H new ATOM 929 N ALA A 63 -6.285 -1.889 -9.037 1.00 1.30 N ATOM 930 CA ALA A 63 -5.841 -0.619 -9.601 1.00 1.31 C ATOM 931 C ALA A 63 -4.818 -0.851 -10.715 1.00 1.22 C ATOM 932 O ALA A 63 -4.735 -0.062 -11.654 1.00 1.24 O ATOM 933 CB ALA A 63 -5.272 0.282 -8.497 1.00 1.20 C ATOM 0 H ALA A 63 -6.145 -1.950 -8.029 1.00 1.30 H new ATOM 0 HA ALA A 63 -6.699 -0.111 -10.042 1.00 1.31 H new ATOM 0 HB1 ALA A 63 -4.944 1.227 -8.931 1.00 1.20 H new ATOM 0 HB2 ALA A 63 -6.043 0.474 -7.751 1.00 1.20 H new ATOM 0 HB3 ALA A 63 -4.424 -0.213 -8.024 1.00 1.20 H new ATOM 939 N GLY A 64 -4.060 -1.944 -10.610 1.00 1.16 N ATOM 940 CA GLY A 64 -3.208 -2.459 -11.670 1.00 1.12 C ATOM 941 C GLY A 64 -1.738 -2.338 -11.297 1.00 0.80 C ATOM 942 O GLY A 64 -0.884 -2.238 -12.176 1.00 1.02 O ATOM 0 H GLY A 64 -4.025 -2.507 -9.760 1.00 1.16 H new ATOM 0 HA2 GLY A 64 -3.453 -3.503 -11.863 1.00 1.12 H new ATOM 0 HA3 GLY A 64 -3.399 -1.911 -12.593 1.00 1.12 H new ATOM 946 N TYR A 65 -1.435 -2.369 -9.997 1.00 0.34 N ATOM 947 CA TYR A 65 -0.079 -2.441 -9.500 1.00 0.31 C ATOM 948 C TYR A 65 0.223 -3.891 -9.147 1.00 0.50 C ATOM 949 O TYR A 65 -0.665 -4.737 -9.148 1.00 0.71 O ATOM 950 CB TYR A 65 0.048 -1.529 -8.286 1.00 0.40 C ATOM 951 CG TYR A 65 -0.371 -0.103 -8.569 1.00 0.70 C ATOM 952 CD1 TYR A 65 0.383 0.696 -9.446 1.00 1.68 C ATOM 953 CD2 TYR A 65 -1.571 0.390 -8.033 1.00 2.16 C ATOM 954 CE1 TYR A 65 -0.025 2.012 -9.722 1.00 1.75 C ATOM 955 CE2 TYR A 65 -1.950 1.722 -8.263 1.00 2.52 C ATOM 956 CZ TYR A 65 -1.170 2.538 -9.101 1.00 1.55 C ATOM 957 OH TYR A 65 -1.482 3.856 -9.252 1.00 1.93 O ATOM 0 H TYR A 65 -2.140 -2.344 -9.260 1.00 0.34 H new ATOM 0 HA TYR A 65 0.639 -2.108 -10.250 1.00 0.31 H new ATOM 0 HB2 TYR A 65 -0.562 -1.927 -7.475 1.00 0.40 H new ATOM 0 HB3 TYR A 65 1.082 -1.536 -7.940 1.00 0.40 H new ATOM 0 HD1 TYR A 65 1.275 0.299 -9.907 1.00 1.68 H new ATOM 0 HD2 TYR A 65 -2.204 -0.256 -7.443 1.00 2.16 H new ATOM 0 HE1 TYR A 65 0.542 2.619 -10.412 1.00 1.75 H new ATOM 0 HE2 TYR A 65 -2.840 2.119 -7.797 1.00 2.52 H new ATOM 0 HH TYR A 65 -2.305 4.056 -8.759 1.00 1.93 H new ATOM 967 N SER A 66 1.489 -4.168 -8.850 1.00 0.71 N ATOM 968 CA SER A 66 1.983 -5.506 -8.585 1.00 0.98 C ATOM 969 C SER A 66 2.595 -5.489 -7.197 1.00 1.03 C ATOM 970 O SER A 66 3.818 -5.522 -7.075 1.00 1.42 O ATOM 971 CB SER A 66 3.012 -5.896 -9.653 1.00 1.42 C ATOM 972 OG SER A 66 2.417 -5.878 -10.934 1.00 1.86 O ATOM 0 H SER A 66 2.211 -3.451 -8.787 1.00 0.71 H new ATOM 0 HA SER A 66 1.184 -6.246 -8.624 1.00 0.98 H new ATOM 0 HB2 SER A 66 3.855 -5.205 -9.626 1.00 1.42 H new ATOM 0 HB3 SER A 66 3.407 -6.890 -9.442 1.00 1.42 H new ATOM 0 HG SER A 66 3.084 -6.127 -11.608 1.00 1.86 H new ATOM 978 N LEU A 67 1.747 -5.393 -6.171 1.00 0.73 N ATOM 979 CA LEU A 67 2.170 -5.682 -4.812 1.00 0.66 C ATOM 980 C LEU A 67 2.058 -7.171 -4.524 1.00 0.57 C ATOM 981 O LEU A 67 1.393 -7.907 -5.257 1.00 0.66 O ATOM 982 CB LEU A 67 1.547 -4.763 -3.772 1.00 0.62 C ATOM 983 CG LEU A 67 0.342 -5.306 -3.015 1.00 0.61 C ATOM 984 CD1 LEU A 67 -0.080 -4.128 -2.144 1.00 1.82 C ATOM 985 CD2 LEU A 67 -0.752 -5.651 -4.008 1.00 1.48 C ATOM 0 H LEU A 67 0.769 -5.118 -6.261 1.00 0.73 H new ATOM 0 HA LEU A 67 3.230 -5.441 -4.726 1.00 0.66 H new ATOM 0 HB2 LEU A 67 2.316 -4.501 -3.045 1.00 0.62 H new ATOM 0 HB3 LEU A 67 1.249 -3.839 -4.268 1.00 0.62 H new ATOM 0 HG LEU A 67 0.548 -6.206 -2.436 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -0.949 -4.408 -1.549 1.00 1.82 H new ATOM 0 HD12 LEU A 67 0.740 -3.853 -1.481 1.00 1.82 H new ATOM 0 HD13 LEU A 67 -0.334 -3.279 -2.779 1.00 1.82 H new ATOM 0 HD21 LEU A 67 -1.619 -6.041 -3.474 1.00 1.48 H new ATOM 0 HD22 LEU A 67 -1.038 -4.756 -4.560 1.00 1.48 H new ATOM 0 HD23 LEU A 67 -0.386 -6.405 -4.705 1.00 1.48 H new ATOM 997 N ARG A 68 2.696 -7.595 -3.438 1.00 0.47 N ATOM 998 CA ARG A 68 2.356 -8.816 -2.746 1.00 0.63 C ATOM 999 C ARG A 68 2.841 -8.661 -1.310 1.00 0.40 C ATOM 1000 O ARG A 68 3.765 -7.881 -1.078 1.00 0.31 O ATOM 1001 CB ARG A 68 2.947 -10.034 -3.464 1.00 0.92 C ATOM 1002 CG ARG A 68 2.340 -11.299 -2.856 1.00 1.41 C ATOM 1003 CD ARG A 68 2.244 -12.433 -3.880 1.00 1.50 C ATOM 1004 NE ARG A 68 3.577 -12.870 -4.328 1.00 1.84 N ATOM 1005 CZ ARG A 68 3.854 -13.463 -5.501 1.00 2.95 C ATOM 1006 NH1 ARG A 68 2.891 -13.650 -6.412 1.00 3.37 N ATOM 1007 NH2 ARG A 68 5.100 -13.876 -5.759 1.00 4.40 N ATOM 0 H ARG A 68 3.473 -7.088 -3.015 1.00 0.47 H new ATOM 0 HA ARG A 68 1.280 -8.991 -2.740 1.00 0.63 H new ATOM 0 HB2 ARG A 68 2.731 -9.986 -4.531 1.00 0.92 H new ATOM 0 HB3 ARG A 68 4.032 -10.046 -3.358 1.00 0.92 H new ATOM 0 HG2 ARG A 68 2.947 -11.623 -2.011 1.00 1.41 H new ATOM 0 HG3 ARG A 68 1.346 -11.075 -2.468 1.00 1.41 H new ATOM 0 HD2 ARG A 68 1.712 -13.277 -3.441 1.00 1.50 H new ATOM 0 HD3 ARG A 68 1.661 -12.101 -4.739 1.00 1.50 H new ATOM 0 HE ARG A 68 4.358 -12.708 -3.692 1.00 1.84 H new ATOM 0 HH11 ARG A 68 1.938 -13.341 -6.218 1.00 3.37 H new ATOM 0 HH12 ARG A 68 3.110 -14.101 -7.300 1.00 3.37 H new ATOM 0 HH21 ARG A 68 5.836 -13.740 -5.066 1.00 4.40 H new ATOM 0 HH22 ARG A 68 5.314 -14.327 -6.649 1.00 4.40 H new ATOM 1021 N ASP A 69 2.180 -9.338 -0.373 1.00 0.47 N ATOM 1022 CA ASP A 69 2.284 -9.180 1.067 1.00 0.60 C ATOM 1023 C ASP A 69 3.608 -9.674 1.637 1.00 0.54 C ATOM 1024 O ASP A 69 3.803 -10.858 1.908 1.00 1.35 O ATOM 1025 CB ASP A 69 1.084 -9.866 1.734 1.00 1.12 C ATOM 1026 CG ASP A 69 0.939 -11.336 1.353 1.00 2.09 C ATOM 1027 OD1 ASP A 69 0.881 -11.587 0.126 1.00 3.70 O ATOM 1028 OD2 ASP A 69 0.857 -12.164 2.285 1.00 2.65 O ATOM 0 H ASP A 69 1.509 -10.064 -0.625 1.00 0.47 H new ATOM 0 HA ASP A 69 2.265 -8.113 1.289 1.00 0.60 H new ATOM 0 HB2 ASP A 69 1.185 -9.787 2.816 1.00 1.12 H new ATOM 0 HB3 ASP A 69 0.172 -9.335 1.459 1.00 1.12 H new ATOM 1033 N GLU A 70 4.494 -8.729 1.943 1.00 0.52 N ATOM 1034 CA GLU A 70 5.694 -9.002 2.708 1.00 0.52 C ATOM 1035 C GLU A 70 5.352 -8.934 4.192 1.00 0.58 C ATOM 1036 O GLU A 70 5.902 -8.124 4.931 1.00 0.62 O ATOM 1037 CB GLU A 70 6.809 -8.052 2.271 1.00 0.71 C ATOM 1038 CG GLU A 70 7.129 -8.367 0.800 1.00 1.10 C ATOM 1039 CD GLU A 70 8.479 -7.838 0.346 1.00 1.51 C ATOM 1040 OE1 GLU A 70 8.757 -6.659 0.640 1.00 1.48 O ATOM 1041 OE2 GLU A 70 9.172 -8.621 -0.351 1.00 3.12 O ATOM 0 H GLU A 70 4.394 -7.753 1.664 1.00 0.52 H new ATOM 0 HA GLU A 70 6.074 -10.006 2.520 1.00 0.52 H new ATOM 0 HB2 GLU A 70 6.495 -7.014 2.382 1.00 0.71 H new ATOM 0 HB3 GLU A 70 7.694 -8.186 2.894 1.00 0.71 H new ATOM 0 HG2 GLU A 70 7.103 -9.447 0.654 1.00 1.10 H new ATOM 0 HG3 GLU A 70 6.350 -7.941 0.168 1.00 1.10 H new