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 180:sc= 0.99 USER MOD Set 1.2: A 61 GLN : amide:sc= 0.686 K(o=4.1,f=-6.6!) USER MOD Set 1.3: A 62 LYS NZ :NH3+ 168:sc= 2.4 (180deg=0) USER MOD Single : A 6 TYR OH : rot -96:sc= 1.26 USER MOD Single : A 7 SER OG : rot -95:sc= 0.092 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 91:sc= 1.3 USER MOD Single : A 13 MET CE :methyl 146:sc= -0.424 (180deg=-4.11!) USER MOD Single : A 18 CYS SG : rot 135:sc= 0.83 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0242 X(o=-0.024,f=0.072) USER MOD Single : A 28 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.1) USER MOD Single : A 33 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.56) USER MOD Single : A 34 GLN : amide:sc= -0.086 X(o=-0.086,f=-0.13) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -179:sc= 0.0271 USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0907) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.716 F(o=-1.8!,f=-0.72) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0174 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 2.377 -3.088 11.808 1.00 0.44 N ATOM 34 CA ARG A 5 3.048 -2.597 10.632 1.00 0.43 C ATOM 35 C ARG A 5 2.957 -3.706 9.603 1.00 0.30 C ATOM 36 O ARG A 5 3.525 -4.780 9.756 1.00 0.48 O ATOM 37 CB ARG A 5 4.503 -2.249 10.980 1.00 0.68 C ATOM 38 CG ARG A 5 5.330 -1.908 9.731 1.00 0.74 C ATOM 39 CD ARG A 5 5.813 -3.170 8.976 1.00 0.62 C ATOM 40 NE ARG A 5 7.256 -3.206 8.680 1.00 0.89 N ATOM 41 CZ ARG A 5 7.951 -4.360 8.573 1.00 1.57 C ATOM 42 NH1 ARG A 5 7.310 -5.524 8.436 1.00 3.19 N ATOM 43 NH2 ARG A 5 9.285 -4.362 8.623 1.00 1.59 N ATOM 0 HA ARG A 5 2.595 -1.687 10.240 1.00 0.43 H new ATOM 0 HB2 ARG A 5 4.519 -1.403 11.667 1.00 0.68 H new ATOM 0 HB3 ARG A 5 4.962 -3.090 11.500 1.00 0.68 H new ATOM 0 HG2 ARG A 5 4.730 -1.294 9.059 1.00 0.74 H new ATOM 0 HG3 ARG A 5 6.194 -1.311 10.023 1.00 0.74 H new ATOM 0 HD2 ARG A 5 5.557 -4.049 9.568 1.00 0.62 H new ATOM 0 HD3 ARG A 5 5.263 -3.246 8.038 1.00 0.62 H new ATOM 0 HE ARG A 5 7.751 -2.323 8.551 1.00 0.89 H new ATOM 0 HH11 ARG A 5 6.291 -5.545 8.412 1.00 3.19 H new ATOM 0 HH12 ARG A 5 7.840 -6.392 8.356 1.00 3.19 H new ATOM 0 HH21 ARG A 5 9.792 -3.485 8.743 1.00 1.59 H new ATOM 0 HH22 ARG A 5 9.797 -5.240 8.541 1.00 1.59 H new ATOM 57 N TYR A 6 2.224 -3.459 8.540 1.00 0.29 N ATOM 58 CA TYR A 6 2.157 -4.358 7.404 1.00 0.24 C ATOM 59 C TYR A 6 2.999 -3.812 6.258 1.00 0.27 C ATOM 60 O TYR A 6 3.115 -2.598 6.143 1.00 0.53 O ATOM 61 CB TYR A 6 0.704 -4.474 7.000 1.00 0.31 C ATOM 62 CG TYR A 6 -0.268 -4.663 8.134 1.00 0.46 C ATOM 63 CD1 TYR A 6 0.014 -5.599 9.141 1.00 1.69 C ATOM 64 CD2 TYR A 6 -1.530 -4.053 8.066 1.00 1.92 C ATOM 65 CE1 TYR A 6 -0.966 -5.912 10.095 1.00 1.80 C ATOM 66 CE2 TYR A 6 -2.526 -4.411 8.986 1.00 1.93 C ATOM 67 CZ TYR A 6 -2.222 -5.288 10.042 1.00 0.82 C ATOM 68 OH TYR A 6 -3.177 -5.653 10.937 1.00 1.08 O ATOM 0 H TYR A 6 1.651 -2.621 8.437 1.00 0.29 H new ATOM 0 HA TYR A 6 2.551 -5.341 7.661 1.00 0.24 H new ATOM 0 HB2 TYR A 6 0.424 -3.575 6.450 1.00 0.31 H new ATOM 0 HB3 TYR A 6 0.602 -5.313 6.312 1.00 0.31 H new ATOM 0 HD1 TYR A 6 0.982 -6.077 9.181 1.00 1.69 H new ATOM 0 HD2 TYR A 6 -1.733 -3.311 7.308 1.00 1.92 H new ATOM 0 HE1 TYR A 6 -0.754 -6.633 10.870 1.00 1.80 H new ATOM 0 HE2 TYR A 6 -3.525 -4.014 8.884 1.00 1.93 H new ATOM 0 HH TYR A 6 -3.761 -6.330 10.535 1.00 1.08 H new ATOM 78 N SER A 7 3.593 -4.686 5.438 1.00 0.21 N ATOM 79 CA SER A 7 4.434 -4.314 4.288 1.00 0.22 C ATOM 80 C SER A 7 4.071 -5.108 3.020 1.00 0.21 C ATOM 81 O SER A 7 3.614 -6.248 3.115 1.00 0.21 O ATOM 82 CB SER A 7 5.891 -4.496 4.711 1.00 0.37 C ATOM 83 OG SER A 7 6.747 -3.974 3.721 1.00 1.46 O ATOM 0 H SER A 7 3.502 -5.695 5.556 1.00 0.21 H new ATOM 0 HA SER A 7 4.262 -3.273 4.013 1.00 0.22 H new ATOM 0 HB2 SER A 7 6.069 -3.991 5.661 1.00 0.37 H new ATOM 0 HB3 SER A 7 6.104 -5.554 4.867 1.00 0.37 H new ATOM 0 HG SER A 7 7.031 -4.695 3.121 1.00 1.46 H new ATOM 89 N TRP A 8 4.272 -4.494 1.844 1.00 0.22 N ATOM 90 CA TRP A 8 4.119 -5.097 0.518 1.00 0.23 C ATOM 91 C TRP A 8 5.268 -4.682 -0.383 1.00 0.22 C ATOM 92 O TRP A 8 5.741 -3.554 -0.282 1.00 0.30 O ATOM 93 CB TRP A 8 2.804 -4.683 -0.153 1.00 0.27 C ATOM 94 CG TRP A 8 1.625 -5.157 0.616 1.00 0.25 C ATOM 95 CD1 TRP A 8 1.353 -6.465 0.735 1.00 0.48 C ATOM 96 CD2 TRP A 8 0.816 -4.534 1.646 1.00 0.24 C ATOM 97 NE1 TRP A 8 0.626 -6.676 1.893 1.00 0.44 N ATOM 98 CE2 TRP A 8 0.636 -5.508 2.647 1.00 0.31 C ATOM 99 CE3 TRP A 8 0.357 -3.270 2.051 1.00 0.30 C ATOM 100 CZ2 TRP A 8 0.406 -5.044 3.966 1.00 0.41 C ATOM 101 CZ3 TRP A 8 -0.717 -3.268 2.973 1.00 0.37 C ATOM 102 CH2 TRP A 8 -0.529 -4.015 4.110 1.00 0.41 C ATOM 0 H TRP A 8 4.559 -3.517 1.793 1.00 0.22 H new ATOM 0 HA TRP A 8 4.115 -6.178 0.660 1.00 0.23 H new ATOM 0 HB2 TRP A 8 2.767 -3.597 -0.244 1.00 0.27 H new ATOM 0 HB3 TRP A 8 2.767 -5.089 -1.164 1.00 0.27 H new ATOM 0 HD1 TRP A 8 1.654 -7.232 0.037 1.00 0.48 H new ATOM 0 HE1 TRP A 8 0.159 -7.546 2.151 1.00 0.44 H new ATOM 0 HE3 TRP A 8 0.797 -2.355 1.682 1.00 0.30 H new ATOM 0 HZ2 TRP A 8 0.926 -5.463 4.815 1.00 0.41 H new ATOM 0 HZ3 TRP A 8 -1.627 -2.714 2.794 1.00 0.37 H new ATOM 0 HH2 TRP A 8 -1.056 -3.824 5.033 1.00 0.41 H new ATOM 113 N LYS A 9 5.646 -5.561 -1.311 1.00 0.21 N ATOM 114 CA LYS A 9 6.608 -5.271 -2.361 1.00 0.26 C ATOM 115 C LYS A 9 5.811 -4.918 -3.602 1.00 0.43 C ATOM 116 O LYS A 9 4.977 -5.720 -4.004 1.00 0.52 O ATOM 117 CB LYS A 9 7.467 -6.505 -2.643 1.00 0.44 C ATOM 118 CG LYS A 9 8.108 -6.978 -1.343 1.00 1.96 C ATOM 119 CD LYS A 9 9.152 -8.071 -1.576 1.00 1.82 C ATOM 120 CE LYS A 9 10.315 -7.514 -2.410 1.00 2.66 C ATOM 121 NZ LYS A 9 11.588 -8.177 -2.079 1.00 3.31 N ATOM 0 H LYS A 9 5.281 -6.513 -1.350 1.00 0.21 H new ATOM 0 HA LYS A 9 7.268 -4.455 -2.066 1.00 0.26 H new ATOM 0 HB2 LYS A 9 6.855 -7.299 -3.070 1.00 0.44 H new ATOM 0 HB3 LYS A 9 8.237 -6.267 -3.376 1.00 0.44 H new ATOM 0 HG2 LYS A 9 8.577 -6.131 -0.842 1.00 1.96 H new ATOM 0 HG3 LYS A 9 7.334 -7.354 -0.674 1.00 1.96 H new ATOM 0 HD2 LYS A 9 9.523 -8.441 -0.620 1.00 1.82 H new ATOM 0 HD3 LYS A 9 8.697 -8.917 -2.091 1.00 1.82 H new ATOM 0 HE2 LYS A 9 10.100 -7.648 -3.470 1.00 2.66 H new ATOM 0 HE3 LYS A 9 10.407 -6.442 -2.236 1.00 2.66 H new ATOM 0 HZ1 LYS A 9 12.350 -7.775 -2.661 1.00 3.31 H new ATOM 0 HZ2 LYS A 9 11.806 -8.028 -1.073 1.00 3.31 H new ATOM 0 HZ3 LYS A 9 11.508 -9.196 -2.269 1.00 3.31 H new ATOM 135 N VAL A 10 6.018 -3.730 -4.170 1.00 0.66 N ATOM 136 CA VAL A 10 5.176 -3.180 -5.226 1.00 0.95 C ATOM 137 C VAL A 10 5.991 -2.887 -6.489 1.00 1.19 C ATOM 138 O VAL A 10 6.463 -1.771 -6.715 1.00 2.33 O ATOM 139 CB VAL A 10 4.357 -2.001 -4.677 1.00 1.10 C ATOM 140 CG1 VAL A 10 5.208 -0.919 -3.995 1.00 1.64 C ATOM 141 CG2 VAL A 10 3.461 -1.432 -5.785 1.00 1.76 C ATOM 0 H VAL A 10 6.787 -3.116 -3.904 1.00 0.66 H new ATOM 0 HA VAL A 10 4.443 -3.918 -5.552 1.00 0.95 H new ATOM 0 HB VAL A 10 3.725 -2.388 -3.878 1.00 1.10 H new ATOM 0 HG11 VAL A 10 4.560 -0.121 -3.634 1.00 1.64 H new ATOM 0 HG12 VAL A 10 5.748 -1.356 -3.155 1.00 1.64 H new ATOM 0 HG13 VAL A 10 5.921 -0.511 -4.712 1.00 1.64 H new ATOM 0 HG21 VAL A 10 2.882 -0.596 -5.392 1.00 1.76 H new ATOM 0 HG22 VAL A 10 4.081 -1.086 -6.612 1.00 1.76 H new ATOM 0 HG23 VAL A 10 2.783 -2.208 -6.139 1.00 1.76 H new ATOM 151 N SER A 11 6.130 -3.909 -7.337 1.00 0.68 N ATOM 152 CA SER A 11 6.944 -3.813 -8.542 1.00 0.64 C ATOM 153 C SER A 11 6.150 -3.053 -9.607 1.00 0.59 C ATOM 154 O SER A 11 5.442 -3.649 -10.416 1.00 1.12 O ATOM 155 CB SER A 11 7.418 -5.209 -8.982 1.00 0.95 C ATOM 156 OG SER A 11 8.711 -5.124 -9.547 1.00 1.97 O ATOM 0 H SER A 11 5.684 -4.817 -7.206 1.00 0.68 H new ATOM 0 HA SER A 11 7.857 -3.247 -8.358 1.00 0.64 H new ATOM 0 HB2 SER A 11 7.429 -5.885 -8.127 1.00 0.95 H new ATOM 0 HB3 SER A 11 6.721 -5.627 -9.709 1.00 0.95 H new ATOM 0 HG SER A 11 9.383 -5.251 -8.846 1.00 1.97 H new ATOM 162 N GLY A 12 6.221 -1.721 -9.554 1.00 0.51 N ATOM 163 CA GLY A 12 5.458 -0.848 -10.439 1.00 0.50 C ATOM 164 C GLY A 12 5.480 0.618 -10.004 1.00 0.61 C ATOM 165 O GLY A 12 5.345 1.506 -10.839 1.00 1.38 O ATOM 0 H GLY A 12 6.813 -1.219 -8.892 1.00 0.51 H new ATOM 0 HA2 GLY A 12 5.858 -0.926 -11.450 1.00 0.50 H new ATOM 0 HA3 GLY A 12 4.425 -1.193 -10.478 1.00 0.50 H new ATOM 169 N MET A 13 5.617 0.897 -8.704 1.00 0.39 N ATOM 170 CA MET A 13 5.619 2.267 -8.211 1.00 0.35 C ATOM 171 C MET A 13 6.973 2.939 -8.444 1.00 0.40 C ATOM 172 O MET A 13 7.965 2.535 -7.843 1.00 0.58 O ATOM 173 CB MET A 13 5.276 2.259 -6.724 1.00 0.41 C ATOM 174 CG MET A 13 3.771 2.088 -6.537 1.00 1.16 C ATOM 175 SD MET A 13 3.246 1.970 -4.817 1.00 1.74 S ATOM 176 CE MET A 13 3.986 3.484 -4.190 1.00 2.58 C ATOM 0 H MET A 13 5.728 0.189 -7.979 1.00 0.39 H new ATOM 0 HA MET A 13 4.872 2.841 -8.759 1.00 0.35 H new ATOM 0 HB2 MET A 13 5.807 1.449 -6.224 1.00 0.41 H new ATOM 0 HB3 MET A 13 5.605 3.189 -6.261 1.00 0.41 H new ATOM 0 HG2 MET A 13 3.261 2.931 -7.003 1.00 1.16 H new ATOM 0 HG3 MET A 13 3.451 1.190 -7.065 1.00 1.16 H new ATOM 0 HE1 MET A 13 3.348 3.907 -3.414 1.00 2.58 H new ATOM 0 HE2 MET A 13 4.968 3.263 -3.771 1.00 2.58 H new ATOM 0 HE3 MET A 13 4.092 4.201 -5.004 1.00 2.58 H new ATOM 186 N ASP A 14 6.994 3.990 -9.269 1.00 0.40 N ATOM 187 CA ASP A 14 8.205 4.671 -9.726 1.00 0.51 C ATOM 188 C ASP A 14 8.198 6.193 -9.496 1.00 0.52 C ATOM 189 O ASP A 14 9.251 6.813 -9.650 1.00 0.63 O ATOM 190 CB ASP A 14 8.390 4.366 -11.219 1.00 0.71 C ATOM 191 CG ASP A 14 7.187 4.824 -12.035 1.00 0.79 C ATOM 192 OD1 ASP A 14 6.923 6.040 -12.042 1.00 1.56 O ATOM 193 OD2 ASP A 14 6.487 3.953 -12.587 1.00 1.11 O ATOM 0 H ASP A 14 6.141 4.402 -9.648 1.00 0.40 H new ATOM 0 HA ASP A 14 9.036 4.293 -9.130 1.00 0.51 H new ATOM 0 HB2 ASP A 14 9.289 4.862 -11.584 1.00 0.71 H new ATOM 0 HB3 ASP A 14 8.538 3.295 -11.357 1.00 0.71 H new ATOM 198 N CYS A 15 7.063 6.794 -9.112 1.00 0.48 N ATOM 199 CA CYS A 15 6.883 8.241 -9.082 1.00 0.47 C ATOM 200 C CYS A 15 6.196 8.654 -7.784 1.00 0.39 C ATOM 201 O CYS A 15 5.387 7.904 -7.235 1.00 0.36 O ATOM 202 CB CYS A 15 6.027 8.732 -10.265 1.00 0.50 C ATOM 203 SG CYS A 15 6.242 7.783 -11.798 1.00 0.65 S ATOM 0 H CYS A 15 6.237 6.277 -8.811 1.00 0.48 H new ATOM 0 HA CYS A 15 7.873 8.693 -9.152 1.00 0.47 H new ATOM 0 HB2 CYS A 15 4.977 8.697 -9.976 1.00 0.50 H new ATOM 0 HB3 CYS A 15 6.269 9.776 -10.463 1.00 0.50 H new ATOM 208 N ALA A 16 6.441 9.889 -7.346 1.00 0.39 N ATOM 209 CA ALA A 16 5.764 10.458 -6.191 1.00 0.36 C ATOM 210 C ALA A 16 4.268 10.626 -6.460 1.00 0.26 C ATOM 211 O ALA A 16 3.457 10.485 -5.550 1.00 0.25 O ATOM 212 CB ALA A 16 6.400 11.802 -5.826 1.00 0.43 C ATOM 0 H ALA A 16 7.114 10.518 -7.784 1.00 0.39 H new ATOM 0 HA ALA A 16 5.876 9.773 -5.351 1.00 0.36 H new ATOM 0 HB1 ALA A 16 5.889 12.223 -4.960 1.00 0.43 H new ATOM 0 HB2 ALA A 16 7.453 11.654 -5.589 1.00 0.43 H new ATOM 0 HB3 ALA A 16 6.311 12.487 -6.669 1.00 0.43 H new ATOM 218 N ALA A 17 3.880 10.929 -7.703 1.00 0.26 N ATOM 219 CA ALA A 17 2.472 11.002 -8.070 1.00 0.24 C ATOM 220 C ALA A 17 1.809 9.636 -7.867 1.00 0.24 C ATOM 221 O ALA A 17 0.771 9.535 -7.215 1.00 0.25 O ATOM 222 CB ALA A 17 2.330 11.483 -9.515 1.00 0.30 C ATOM 0 H ALA A 17 4.525 11.127 -8.468 1.00 0.26 H new ATOM 0 HA ALA A 17 1.966 11.722 -7.427 1.00 0.24 H new ATOM 0 HB1 ALA A 17 1.274 11.534 -9.779 1.00 0.30 H new ATOM 0 HB2 ALA A 17 2.777 12.472 -9.615 1.00 0.30 H new ATOM 0 HB3 ALA A 17 2.838 10.786 -10.182 1.00 0.30 H new ATOM 228 N CYS A 18 2.439 8.592 -8.414 1.00 0.27 N ATOM 229 CA CYS A 18 2.026 7.205 -8.269 1.00 0.28 C ATOM 230 C CYS A 18 1.893 6.879 -6.779 1.00 0.26 C ATOM 231 O CYS A 18 0.839 6.422 -6.337 1.00 0.29 O ATOM 232 CB CYS A 18 3.029 6.293 -8.999 1.00 0.35 C ATOM 233 SG CYS A 18 3.175 6.809 -10.742 1.00 0.50 S ATOM 0 H CYS A 18 3.276 8.699 -8.987 1.00 0.27 H new ATOM 0 HA CYS A 18 1.052 7.035 -8.727 1.00 0.28 H new ATOM 0 HB2 CYS A 18 4.003 6.344 -8.512 1.00 0.35 H new ATOM 0 HB3 CYS A 18 2.699 5.256 -8.943 1.00 0.35 H new ATOM 0 HG CYS A 18 4.430 6.847 -11.080 1.00 0.50 H new ATOM 238 N ALA A 19 2.938 7.171 -5.997 1.00 0.25 N ATOM 239 CA ALA A 19 2.907 7.049 -4.547 1.00 0.28 C ATOM 240 C ALA A 19 1.692 7.741 -3.942 1.00 0.24 C ATOM 241 O ALA A 19 0.960 7.124 -3.176 1.00 0.27 O ATOM 242 CB ALA A 19 4.200 7.590 -3.943 1.00 0.33 C ATOM 0 H ALA A 19 3.832 7.500 -6.361 1.00 0.25 H new ATOM 0 HA ALA A 19 2.823 5.989 -4.306 1.00 0.28 H new ATOM 0 HB1 ALA A 19 4.163 7.493 -2.858 1.00 0.33 H new ATOM 0 HB2 ALA A 19 5.047 7.024 -4.330 1.00 0.33 H new ATOM 0 HB3 ALA A 19 4.314 8.641 -4.209 1.00 0.33 H new ATOM 248 N ARG A 20 1.457 9.010 -4.276 1.00 0.22 N ATOM 249 CA ARG A 20 0.345 9.734 -3.690 1.00 0.24 C ATOM 250 C ARG A 20 -0.979 9.051 -4.035 1.00 0.23 C ATOM 251 O ARG A 20 -1.846 8.866 -3.182 1.00 0.29 O ATOM 252 CB ARG A 20 0.345 11.209 -4.098 1.00 0.29 C ATOM 253 CG ARG A 20 0.092 12.032 -2.834 1.00 0.83 C ATOM 254 CD ARG A 20 -0.116 13.515 -3.135 1.00 0.69 C ATOM 255 NE ARG A 20 -0.440 14.226 -1.890 1.00 1.52 N ATOM 256 CZ ARG A 20 -0.787 15.518 -1.810 1.00 2.31 C ATOM 257 NH1 ARG A 20 -0.779 16.274 -2.914 1.00 2.70 N ATOM 258 NH2 ARG A 20 -1.140 16.045 -0.633 1.00 3.23 N ATOM 0 H ARG A 20 2.016 9.546 -4.940 1.00 0.22 H new ATOM 0 HA ARG A 20 0.465 9.712 -2.607 1.00 0.24 H new ATOM 0 HB2 ARG A 20 1.299 11.482 -4.550 1.00 0.29 H new ATOM 0 HB3 ARG A 20 -0.427 11.401 -4.843 1.00 0.29 H new ATOM 0 HG2 ARG A 20 -0.786 11.642 -2.320 1.00 0.83 H new ATOM 0 HG3 ARG A 20 0.936 11.917 -2.154 1.00 0.83 H new ATOM 0 HD2 ARG A 20 0.784 13.936 -3.583 1.00 0.69 H new ATOM 0 HD3 ARG A 20 -0.921 13.641 -3.859 1.00 0.69 H new ATOM 0 HE ARG A 20 -0.397 13.695 -1.020 1.00 1.52 H new ATOM 0 HH11 ARG A 20 -0.510 15.866 -3.809 1.00 2.70 H new ATOM 0 HH12 ARG A 20 -1.042 17.258 -2.860 1.00 2.70 H new ATOM 0 HH21 ARG A 20 -1.145 15.464 0.205 1.00 3.23 H new ATOM 0 HH22 ARG A 20 -1.404 17.028 -0.573 1.00 3.23 H new ATOM 272 N LYS A 21 -1.131 8.649 -5.299 1.00 0.21 N ATOM 273 CA LYS A 21 -2.328 7.956 -5.740 1.00 0.25 C ATOM 274 C LYS A 21 -2.492 6.669 -4.928 1.00 0.23 C ATOM 275 O LYS A 21 -3.595 6.362 -4.483 1.00 0.26 O ATOM 276 CB LYS A 21 -2.285 7.702 -7.259 1.00 0.30 C ATOM 277 CG LYS A 21 -3.648 7.925 -7.936 1.00 0.94 C ATOM 278 CD LYS A 21 -4.692 6.844 -7.595 1.00 2.44 C ATOM 279 CE LYS A 21 -6.016 7.438 -7.087 1.00 3.33 C ATOM 280 NZ LYS A 21 -6.754 8.154 -8.149 1.00 3.58 N ATOM 0 H LYS A 21 -0.435 8.795 -6.030 1.00 0.21 H new ATOM 0 HA LYS A 21 -3.205 8.578 -5.562 1.00 0.25 H new ATOM 0 HB2 LYS A 21 -1.546 8.362 -7.713 1.00 0.30 H new ATOM 0 HB3 LYS A 21 -1.955 6.680 -7.443 1.00 0.30 H new ATOM 0 HG2 LYS A 21 -4.036 8.899 -7.639 1.00 0.94 H new ATOM 0 HG3 LYS A 21 -3.507 7.954 -9.016 1.00 0.94 H new ATOM 0 HD2 LYS A 21 -4.886 6.239 -8.481 1.00 2.44 H new ATOM 0 HD3 LYS A 21 -4.283 6.176 -6.837 1.00 2.44 H new ATOM 0 HE2 LYS A 21 -6.641 6.639 -6.689 1.00 3.33 H new ATOM 0 HE3 LYS A 21 -5.812 8.123 -6.264 1.00 3.33 H new ATOM 0 HZ1 LYS A 21 -7.639 8.537 -7.759 1.00 3.58 H new ATOM 0 HZ2 LYS A 21 -6.170 8.934 -8.512 1.00 3.58 H new ATOM 0 HZ3 LYS A 21 -6.973 7.496 -8.924 1.00 3.58 H new ATOM 294 N VAL A 22 -1.404 5.926 -4.721 1.00 0.21 N ATOM 295 CA VAL A 22 -1.414 4.685 -3.970 1.00 0.23 C ATOM 296 C VAL A 22 -1.845 4.966 -2.537 1.00 0.27 C ATOM 297 O VAL A 22 -2.775 4.332 -2.039 1.00 0.32 O ATOM 298 CB VAL A 22 -0.024 4.033 -4.042 1.00 0.23 C ATOM 299 CG1 VAL A 22 0.076 2.851 -3.075 1.00 0.33 C ATOM 300 CG2 VAL A 22 0.251 3.554 -5.471 1.00 0.39 C ATOM 0 H VAL A 22 -0.482 6.179 -5.078 1.00 0.21 H new ATOM 0 HA VAL A 22 -2.130 3.983 -4.399 1.00 0.23 H new ATOM 0 HB VAL A 22 0.719 4.777 -3.756 1.00 0.23 H new ATOM 0 HG11 VAL A 22 1.069 2.407 -3.145 1.00 0.33 H new ATOM 0 HG12 VAL A 22 -0.095 3.199 -2.056 1.00 0.33 H new ATOM 0 HG13 VAL A 22 -0.675 2.104 -3.334 1.00 0.33 H new ATOM 0 HG21 VAL A 22 1.238 3.093 -5.517 1.00 0.39 H new ATOM 0 HG22 VAL A 22 -0.505 2.824 -5.762 1.00 0.39 H new ATOM 0 HG23 VAL A 22 0.216 4.404 -6.153 1.00 0.39 H new ATOM 310 N GLU A 23 -1.179 5.904 -1.861 1.00 0.28 N ATOM 311 CA GLU A 23 -1.456 6.128 -0.458 1.00 0.35 C ATOM 312 C GLU A 23 -2.887 6.625 -0.292 1.00 0.32 C ATOM 313 O GLU A 23 -3.556 6.232 0.650 1.00 0.36 O ATOM 314 CB GLU A 23 -0.413 7.021 0.223 1.00 0.39 C ATOM 315 CG GLU A 23 -0.499 8.480 -0.216 1.00 0.35 C ATOM 316 CD GLU A 23 0.603 9.365 0.352 1.00 0.61 C ATOM 317 OE1 GLU A 23 1.513 8.806 1.003 1.00 2.09 O ATOM 318 OE2 GLU A 23 0.505 10.590 0.120 1.00 1.48 O ATOM 0 H GLU A 23 -0.459 6.506 -2.261 1.00 0.28 H new ATOM 0 HA GLU A 23 -1.371 5.176 0.067 1.00 0.35 H new ATOM 0 HB2 GLU A 23 -0.544 6.964 1.304 1.00 0.39 H new ATOM 0 HB3 GLU A 23 0.584 6.639 0.002 1.00 0.39 H new ATOM 0 HG2 GLU A 23 -0.461 8.524 -1.304 1.00 0.35 H new ATOM 0 HG3 GLU A 23 -1.466 8.883 0.086 1.00 0.35 H new ATOM 325 N ASN A 24 -3.387 7.438 -1.222 1.00 0.31 N ATOM 326 CA ASN A 24 -4.793 7.826 -1.264 1.00 0.39 C ATOM 327 C ASN A 24 -5.716 6.620 -1.478 1.00 0.41 C ATOM 328 O ASN A 24 -6.735 6.478 -0.796 1.00 0.54 O ATOM 329 CB ASN A 24 -5.012 8.843 -2.395 1.00 0.43 C ATOM 330 CG ASN A 24 -4.789 10.283 -1.947 1.00 1.16 C ATOM 331 OD1 ASN A 24 -3.916 10.985 -2.442 1.00 2.77 O ATOM 332 ND2 ASN A 24 -5.621 10.751 -1.023 1.00 1.43 N ATOM 0 H ASN A 24 -2.825 7.846 -1.969 1.00 0.31 H new ATOM 0 HA ASN A 24 -5.042 8.270 -0.300 1.00 0.39 H new ATOM 0 HB2 ASN A 24 -4.335 8.615 -3.219 1.00 0.43 H new ATOM 0 HB3 ASN A 24 -6.027 8.740 -2.779 1.00 0.43 H new ATOM 0 HD21 ASN A 24 -5.542 11.718 -0.708 1.00 1.43 H new ATOM 0 HD22 ASN A 24 -6.339 10.143 -0.628 1.00 1.43 H new ATOM 339 N ALA A 25 -5.392 5.779 -2.464 1.00 0.36 N ATOM 340 CA ALA A 25 -6.157 4.590 -2.826 1.00 0.40 C ATOM 341 C ALA A 25 -6.265 3.624 -1.647 1.00 0.36 C ATOM 342 O ALA A 25 -7.287 2.971 -1.461 1.00 0.40 O ATOM 343 CB ALA A 25 -5.525 3.917 -4.044 1.00 0.44 C ATOM 0 H ALA A 25 -4.566 5.913 -3.047 1.00 0.36 H new ATOM 0 HA ALA A 25 -7.171 4.892 -3.087 1.00 0.40 H new ATOM 0 HB1 ALA A 25 -6.101 3.030 -4.309 1.00 0.44 H new ATOM 0 HB2 ALA A 25 -5.522 4.612 -4.883 1.00 0.44 H new ATOM 0 HB3 ALA A 25 -4.501 3.628 -3.809 1.00 0.44 H new ATOM 349 N VAL A 26 -5.206 3.553 -0.846 1.00 0.30 N ATOM 350 CA VAL A 26 -5.171 2.786 0.384 1.00 0.26 C ATOM 351 C VAL A 26 -5.922 3.522 1.498 1.00 0.31 C ATOM 352 O VAL A 26 -6.807 2.964 2.141 1.00 0.35 O ATOM 353 CB VAL A 26 -3.696 2.518 0.723 1.00 0.44 C ATOM 354 CG1 VAL A 26 -3.494 2.067 2.166 1.00 2.09 C ATOM 355 CG2 VAL A 26 -3.151 1.468 -0.248 1.00 1.86 C ATOM 0 H VAL A 26 -4.332 4.040 -1.043 1.00 0.30 H new ATOM 0 HA VAL A 26 -5.681 1.829 0.270 1.00 0.26 H new ATOM 0 HB VAL A 26 -3.149 3.455 0.617 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -2.433 1.893 2.348 1.00 2.09 H new ATOM 0 HG12 VAL A 26 -3.856 2.841 2.843 1.00 2.09 H new ATOM 0 HG13 VAL A 26 -4.048 1.145 2.340 1.00 2.09 H new ATOM 0 HG21 VAL A 26 -2.104 1.268 -0.018 1.00 1.86 H new ATOM 0 HG22 VAL A 26 -3.726 0.547 -0.149 1.00 1.86 H new ATOM 0 HG23 VAL A 26 -3.234 1.839 -1.269 1.00 1.86 H new ATOM 365 N ARG A 27 -5.558 4.774 1.766 1.00 0.33 N ATOM 366 CA ARG A 27 -5.985 5.479 2.966 1.00 0.35 C ATOM 367 C ARG A 27 -7.501 5.653 3.010 1.00 0.37 C ATOM 368 O ARG A 27 -8.092 5.691 4.086 1.00 0.40 O ATOM 369 CB ARG A 27 -5.233 6.808 3.075 1.00 0.33 C ATOM 370 CG ARG A 27 -5.467 7.468 4.432 1.00 0.48 C ATOM 371 CD ARG A 27 -4.473 8.617 4.640 1.00 0.70 C ATOM 372 NE ARG A 27 -4.695 9.290 5.928 1.00 0.97 N ATOM 373 CZ ARG A 27 -5.653 10.201 6.161 1.00 1.83 C ATOM 374 NH1 ARG A 27 -6.533 10.498 5.198 1.00 3.34 N ATOM 375 NH2 ARG A 27 -5.727 10.812 7.349 1.00 1.83 N ATOM 0 H ARG A 27 -4.957 5.327 1.154 1.00 0.33 H new ATOM 0 HA ARG A 27 -5.733 4.878 3.840 1.00 0.35 H new ATOM 0 HB2 ARG A 27 -4.166 6.638 2.930 1.00 0.33 H new ATOM 0 HB3 ARG A 27 -5.559 7.479 2.281 1.00 0.33 H new ATOM 0 HG2 ARG A 27 -6.488 7.846 4.490 1.00 0.48 H new ATOM 0 HG3 ARG A 27 -5.354 6.731 5.227 1.00 0.48 H new ATOM 0 HD2 ARG A 27 -3.454 8.231 4.600 1.00 0.70 H new ATOM 0 HD3 ARG A 27 -4.573 9.338 3.829 1.00 0.70 H new ATOM 0 HE ARG A 27 -4.076 9.047 6.701 1.00 0.97 H new ATOM 0 HH11 ARG A 27 -6.474 10.033 4.292 1.00 3.34 H new ATOM 0 HH12 ARG A 27 -7.263 11.189 5.370 1.00 3.34 H new ATOM 0 HH21 ARG A 27 -5.054 10.586 8.081 1.00 1.83 H new ATOM 0 HH22 ARG A 27 -6.456 11.504 7.522 1.00 1.83 H new ATOM 389 N GLN A 28 -8.139 5.737 1.841 1.00 0.39 N ATOM 390 CA GLN A 28 -9.588 5.808 1.742 1.00 0.45 C ATOM 391 C GLN A 28 -10.309 4.585 2.321 1.00 0.43 C ATOM 392 O GLN A 28 -11.516 4.668 2.526 1.00 0.48 O ATOM 393 CB GLN A 28 -10.020 6.122 0.309 1.00 0.52 C ATOM 394 CG GLN A 28 -9.712 4.948 -0.613 1.00 0.56 C ATOM 395 CD GLN A 28 -9.894 5.331 -2.075 1.00 0.60 C ATOM 396 OE1 GLN A 28 -10.730 4.779 -2.782 1.00 0.74 O ATOM 397 NE2 GLN A 28 -9.113 6.302 -2.537 1.00 0.66 N ATOM 0 H GLN A 28 -7.661 5.757 0.940 1.00 0.39 H new ATOM 0 HA GLN A 28 -9.903 6.636 2.377 1.00 0.45 H new ATOM 0 HB2 GLN A 28 -11.088 6.340 0.285 1.00 0.52 H new ATOM 0 HB3 GLN A 28 -9.504 7.015 -0.045 1.00 0.52 H new ATOM 0 HG2 GLN A 28 -8.688 4.612 -0.448 1.00 0.56 H new ATOM 0 HG3 GLN A 28 -10.366 4.111 -0.370 1.00 0.56 H new ATOM 0 HE21 GLN A 28 -8.427 6.741 -1.923 1.00 0.66 H new ATOM 0 HE22 GLN A 28 -9.199 6.608 -3.506 1.00 0.66 H new ATOM 406 N LEU A 29 -9.628 3.446 2.527 1.00 0.39 N ATOM 407 CA LEU A 29 -10.295 2.218 2.939 1.00 0.38 C ATOM 408 C LEU A 29 -10.974 2.368 4.307 1.00 0.36 C ATOM 409 O LEU A 29 -12.195 2.479 4.366 1.00 0.36 O ATOM 410 CB LEU A 29 -9.304 1.047 2.907 1.00 0.39 C ATOM 411 CG LEU A 29 -8.812 0.707 1.489 1.00 0.42 C ATOM 412 CD1 LEU A 29 -7.727 -0.368 1.586 1.00 0.55 C ATOM 413 CD2 LEU A 29 -9.949 0.225 0.584 1.00 0.53 C ATOM 0 H LEU A 29 -8.618 3.358 2.413 1.00 0.39 H new ATOM 0 HA LEU A 29 -11.094 2.004 2.229 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.446 1.289 3.534 1.00 0.39 H new ATOM 0 HB3 LEU A 29 -9.778 0.167 3.341 1.00 0.39 H new ATOM 0 HG LEU A 29 -8.409 1.615 1.040 1.00 0.42 H new ATOM 0 HD11 LEU A 29 -7.371 -0.617 0.586 1.00 0.55 H new ATOM 0 HD12 LEU A 29 -6.896 0.006 2.184 1.00 0.55 H new ATOM 0 HD13 LEU A 29 -8.140 -1.260 2.057 1.00 0.55 H new ATOM 0 HD21 LEU A 29 -9.554 -0.003 -0.406 1.00 0.53 H new ATOM 0 HD22 LEU A 29 -10.399 -0.672 1.011 1.00 0.53 H new ATOM 0 HD23 LEU A 29 -10.705 1.006 0.502 1.00 0.53 H new ATOM 425 N ALA A 30 -10.195 2.337 5.396 1.00 0.37 N ATOM 426 CA ALA A 30 -10.653 2.436 6.782 1.00 0.40 C ATOM 427 C ALA A 30 -9.519 2.090 7.754 1.00 0.36 C ATOM 428 O ALA A 30 -9.005 2.968 8.436 1.00 0.37 O ATOM 429 CB ALA A 30 -11.834 1.495 7.027 1.00 0.46 C ATOM 0 H ALA A 30 -9.182 2.238 5.328 1.00 0.37 H new ATOM 0 HA ALA A 30 -10.971 3.464 6.955 1.00 0.40 H new ATOM 0 HB1 ALA A 30 -12.160 1.583 8.063 1.00 0.46 H new ATOM 0 HB2 ALA A 30 -12.656 1.763 6.364 1.00 0.46 H new ATOM 0 HB3 ALA A 30 -11.528 0.468 6.829 1.00 0.46 H new ATOM 435 N GLY A 31 -9.150 0.801 7.814 1.00 0.36 N ATOM 436 CA GLY A 31 -8.133 0.237 8.709 1.00 0.37 C ATOM 437 C GLY A 31 -6.907 1.128 8.860 1.00 0.32 C ATOM 438 O GLY A 31 -6.424 1.367 9.965 1.00 0.36 O ATOM 0 H GLY A 31 -9.572 0.094 7.212 1.00 0.36 H new ATOM 0 HA2 GLY A 31 -8.575 0.069 9.691 1.00 0.37 H new ATOM 0 HA3 GLY A 31 -7.823 -0.736 8.328 1.00 0.37 H new ATOM 442 N VAL A 32 -6.365 1.529 7.708 1.00 0.32 N ATOM 443 CA VAL A 32 -5.105 2.219 7.576 1.00 0.32 C ATOM 444 C VAL A 32 -5.139 3.590 8.248 1.00 0.39 C ATOM 445 O VAL A 32 -5.941 4.442 7.872 1.00 0.50 O ATOM 446 CB VAL A 32 -4.680 2.263 6.102 1.00 0.34 C ATOM 447 CG1 VAL A 32 -5.823 2.349 5.105 1.00 0.39 C ATOM 448 CG2 VAL A 32 -3.691 3.392 5.829 1.00 0.40 C ATOM 0 H VAL A 32 -6.822 1.369 6.810 1.00 0.32 H new ATOM 0 HA VAL A 32 -4.335 1.662 8.110 1.00 0.32 H new ATOM 0 HB VAL A 32 -4.201 1.297 5.944 1.00 0.34 H new ATOM 0 HG11 VAL A 32 -5.421 2.375 4.092 1.00 0.39 H new ATOM 0 HG12 VAL A 32 -6.470 1.479 5.217 1.00 0.39 H new ATOM 0 HG13 VAL A 32 -6.400 3.255 5.290 1.00 0.39 H new ATOM 0 HG21 VAL A 32 -3.416 3.388 4.774 1.00 0.40 H new ATOM 0 HG22 VAL A 32 -4.151 4.348 6.080 1.00 0.40 H new ATOM 0 HG23 VAL A 32 -2.798 3.249 6.437 1.00 0.40 H new ATOM 458 N ASN A 33 -4.213 3.820 9.186 1.00 0.39 N ATOM 459 CA ASN A 33 -4.035 5.126 9.800 1.00 0.63 C ATOM 460 C ASN A 33 -2.893 5.821 9.072 1.00 0.68 C ATOM 461 O ASN A 33 -3.084 6.873 8.458 1.00 1.01 O ATOM 462 CB ASN A 33 -3.664 5.019 11.285 1.00 0.78 C ATOM 463 CG ASN A 33 -4.471 4.017 12.086 1.00 0.76 C ATOM 464 OD1 ASN A 33 -5.527 4.335 12.621 1.00 0.88 O ATOM 465 ND2 ASN A 33 -3.903 2.828 12.231 1.00 1.09 N ATOM 0 H ASN A 33 -3.573 3.106 9.534 1.00 0.39 H new ATOM 0 HA ASN A 33 -4.973 5.677 9.727 1.00 0.63 H new ATOM 0 HB2 ASN A 33 -2.609 4.754 11.360 1.00 0.78 H new ATOM 0 HB3 ASN A 33 -3.779 6.002 11.743 1.00 0.78 H new ATOM 0 HD21 ASN A 33 -4.347 2.119 12.814 1.00 1.09 H new ATOM 0 HD22 ASN A 33 -3.022 2.623 11.759 1.00 1.09 H new ATOM 472 N GLN A 34 -1.702 5.217 9.157 1.00 0.40 N ATOM 473 CA GLN A 34 -0.480 5.758 8.598 1.00 0.36 C ATOM 474 C GLN A 34 -0.156 4.968 7.338 1.00 0.37 C ATOM 475 O GLN A 34 -0.220 3.736 7.329 1.00 0.54 O ATOM 476 CB GLN A 34 0.664 5.671 9.619 1.00 0.44 C ATOM 477 CG GLN A 34 1.840 6.594 9.273 1.00 0.33 C ATOM 478 CD GLN A 34 1.512 8.053 9.569 1.00 0.54 C ATOM 479 OE1 GLN A 34 1.118 8.800 8.681 1.00 1.07 O ATOM 480 NE2 GLN A 34 1.658 8.465 10.825 1.00 1.98 N ATOM 0 H GLN A 34 -1.569 4.322 9.627 1.00 0.40 H new ATOM 0 HA GLN A 34 -0.607 6.812 8.351 1.00 0.36 H new ATOM 0 HB2 GLN A 34 0.284 5.929 10.607 1.00 0.44 H new ATOM 0 HB3 GLN A 34 1.019 4.642 9.673 1.00 0.44 H new ATOM 0 HG2 GLN A 34 2.719 6.295 9.844 1.00 0.33 H new ATOM 0 HG3 GLN A 34 2.092 6.484 8.218 1.00 0.33 H new ATOM 0 HE21 GLN A 34 1.988 7.816 11.539 1.00 1.98 H new ATOM 0 HE22 GLN A 34 1.440 9.430 11.074 1.00 1.98 H new ATOM 489 N VAL A 35 0.191 5.707 6.289 1.00 0.39 N ATOM 490 CA VAL A 35 0.666 5.219 5.021 1.00 0.47 C ATOM 491 C VAL A 35 2.162 5.510 4.973 1.00 0.38 C ATOM 492 O VAL A 35 2.589 6.575 5.418 1.00 0.51 O ATOM 493 CB VAL A 35 -0.081 5.966 3.904 1.00 0.85 C ATOM 494 CG1 VAL A 35 -1.511 5.434 3.776 1.00 1.23 C ATOM 495 CG2 VAL A 35 -0.125 7.498 4.085 1.00 2.48 C ATOM 0 H VAL A 35 0.141 6.725 6.315 1.00 0.39 H new ATOM 0 HA VAL A 35 0.492 4.151 4.892 1.00 0.47 H new ATOM 0 HB VAL A 35 0.489 5.775 2.995 1.00 0.85 H new ATOM 0 HG11 VAL A 35 -2.029 5.971 2.982 1.00 1.23 H new ATOM 0 HG12 VAL A 35 -1.484 4.371 3.537 1.00 1.23 H new ATOM 0 HG13 VAL A 35 -2.039 5.581 4.718 1.00 1.23 H new ATOM 0 HG21 VAL A 35 -0.670 7.947 3.254 1.00 2.48 H new ATOM 0 HG22 VAL A 35 -0.628 7.739 5.022 1.00 2.48 H new ATOM 0 HG23 VAL A 35 0.891 7.891 4.107 1.00 2.48 H new ATOM 505 N GLN A 36 2.963 4.582 4.451 1.00 0.34 N ATOM 506 CA GLN A 36 4.365 4.842 4.177 1.00 0.41 C ATOM 507 C GLN A 36 4.724 4.084 2.906 1.00 0.43 C ATOM 508 O GLN A 36 5.266 2.980 2.964 1.00 0.49 O ATOM 509 CB GLN A 36 5.207 4.441 5.396 1.00 0.39 C ATOM 510 CG GLN A 36 6.685 4.811 5.221 1.00 0.53 C ATOM 511 CD GLN A 36 7.507 4.406 6.435 1.00 0.82 C ATOM 512 OE1 GLN A 36 8.068 5.245 7.130 1.00 1.94 O ATOM 513 NE2 GLN A 36 7.592 3.107 6.703 1.00 0.59 N ATOM 0 H GLN A 36 2.657 3.639 4.210 1.00 0.34 H new ATOM 0 HA GLN A 36 4.569 5.900 4.010 1.00 0.41 H new ATOM 0 HB2 GLN A 36 4.813 4.932 6.286 1.00 0.39 H new ATOM 0 HB3 GLN A 36 5.119 3.367 5.560 1.00 0.39 H new ATOM 0 HG2 GLN A 36 7.081 4.321 4.332 1.00 0.53 H new ATOM 0 HG3 GLN A 36 6.776 5.885 5.060 1.00 0.53 H new ATOM 0 HE21 GLN A 36 7.114 2.431 6.107 1.00 0.59 H new ATOM 0 HE22 GLN A 36 8.135 2.786 7.505 1.00 0.59 H new ATOM 522 N VAL A 37 4.380 4.661 1.750 1.00 0.36 N ATOM 523 CA VAL A 37 4.570 4.003 0.470 1.00 0.34 C ATOM 524 C VAL A 37 5.862 4.496 -0.192 1.00 0.34 C ATOM 525 O VAL A 37 5.920 5.598 -0.734 1.00 0.56 O ATOM 526 CB VAL A 37 3.287 4.061 -0.378 1.00 0.60 C ATOM 527 CG1 VAL A 37 2.068 3.613 0.444 1.00 1.88 C ATOM 528 CG2 VAL A 37 2.979 5.426 -0.999 1.00 1.16 C ATOM 0 H VAL A 37 3.966 5.591 1.684 1.00 0.36 H new ATOM 0 HA VAL A 37 4.730 2.933 0.603 1.00 0.34 H new ATOM 0 HB VAL A 37 3.482 3.378 -1.204 1.00 0.60 H new ATOM 0 HG11 VAL A 37 1.173 3.662 -0.176 1.00 1.88 H new ATOM 0 HG12 VAL A 37 2.216 2.589 0.786 1.00 1.88 H new ATOM 0 HG13 VAL A 37 1.949 4.270 1.306 1.00 1.88 H new ATOM 0 HG21 VAL A 37 2.057 5.363 -1.576 1.00 1.16 H new ATOM 0 HG22 VAL A 37 2.863 6.167 -0.209 1.00 1.16 H new ATOM 0 HG23 VAL A 37 3.798 5.721 -1.655 1.00 1.16 H new ATOM 538 N LEU A 38 6.923 3.683 -0.129 1.00 0.31 N ATOM 539 CA LEU A 38 8.230 4.030 -0.643 1.00 0.35 C ATOM 540 C LEU A 38 8.340 3.414 -2.037 1.00 0.35 C ATOM 541 O LEU A 38 8.799 2.284 -2.231 1.00 0.38 O ATOM 542 CB LEU A 38 9.315 3.558 0.333 1.00 0.41 C ATOM 543 CG LEU A 38 10.718 4.000 -0.104 1.00 0.47 C ATOM 544 CD1 LEU A 38 10.914 5.521 -0.050 1.00 0.60 C ATOM 545 CD2 LEU A 38 11.766 3.331 0.793 1.00 0.55 C ATOM 0 H LEU A 38 6.885 2.754 0.289 1.00 0.31 H new ATOM 0 HA LEU A 38 8.371 5.107 -0.733 1.00 0.35 H new ATOM 0 HB2 LEU A 38 9.104 3.953 1.327 1.00 0.41 H new ATOM 0 HB3 LEU A 38 9.285 2.471 0.409 1.00 0.41 H new ATOM 0 HG LEU A 38 10.836 3.694 -1.143 1.00 0.47 H new ATOM 0 HD11 LEU A 38 11.926 5.769 -0.371 1.00 0.60 H new ATOM 0 HD12 LEU A 38 10.195 6.004 -0.711 1.00 0.60 H new ATOM 0 HD13 LEU A 38 10.761 5.872 0.971 1.00 0.60 H new ATOM 0 HD21 LEU A 38 12.763 3.644 0.484 1.00 0.55 H new ATOM 0 HD22 LEU A 38 11.599 3.625 1.829 1.00 0.55 H new ATOM 0 HD23 LEU A 38 11.682 2.248 0.705 1.00 0.55 H new ATOM 557 N PHE A 39 7.869 4.197 -3.007 1.00 0.36 N ATOM 558 CA PHE A 39 8.045 3.935 -4.423 1.00 0.38 C ATOM 559 C PHE A 39 9.535 3.893 -4.772 1.00 0.42 C ATOM 560 O PHE A 39 10.376 4.277 -3.959 1.00 0.44 O ATOM 561 CB PHE A 39 7.323 5.029 -5.215 1.00 0.42 C ATOM 562 CG PHE A 39 8.024 6.367 -5.246 1.00 0.27 C ATOM 563 CD1 PHE A 39 7.764 7.349 -4.273 1.00 1.80 C ATOM 564 CD2 PHE A 39 8.880 6.657 -6.321 1.00 1.78 C ATOM 565 CE1 PHE A 39 8.250 8.654 -4.456 1.00 1.90 C ATOM 566 CE2 PHE A 39 9.341 7.963 -6.521 1.00 1.77 C ATOM 567 CZ PHE A 39 8.989 8.969 -5.609 1.00 0.61 C ATOM 0 H PHE A 39 7.343 5.050 -2.819 1.00 0.36 H new ATOM 0 HA PHE A 39 7.620 2.965 -4.681 1.00 0.38 H new ATOM 0 HB2 PHE A 39 7.187 4.684 -6.240 1.00 0.42 H new ATOM 0 HB3 PHE A 39 6.329 5.167 -4.790 1.00 0.42 H new ATOM 0 HD1 PHE A 39 7.194 7.101 -3.390 1.00 1.80 H new ATOM 0 HD2 PHE A 39 9.183 5.870 -6.995 1.00 1.78 H new ATOM 0 HE1 PHE A 39 8.056 9.413 -3.713 1.00 1.90 H new ATOM 0 HE2 PHE A 39 9.964 8.195 -7.372 1.00 1.77 H new ATOM 0 HZ PHE A 39 9.287 9.990 -5.794 1.00 0.61 H new ATOM 577 N ALA A 40 9.859 3.423 -5.980 1.00 0.45 N ATOM 578 CA ALA A 40 11.211 3.225 -6.492 1.00 0.50 C ATOM 579 C ALA A 40 11.878 2.048 -5.775 1.00 0.52 C ATOM 580 O ALA A 40 12.255 1.065 -6.407 1.00 0.72 O ATOM 581 CB ALA A 40 12.041 4.518 -6.444 1.00 0.54 C ATOM 0 H ALA A 40 9.146 3.158 -6.659 1.00 0.45 H new ATOM 0 HA ALA A 40 11.150 2.966 -7.549 1.00 0.50 H new ATOM 0 HB1 ALA A 40 13.040 4.324 -6.835 1.00 0.54 H new ATOM 0 HB2 ALA A 40 11.557 5.284 -7.050 1.00 0.54 H new ATOM 0 HB3 ALA A 40 12.115 4.865 -5.413 1.00 0.54 H new ATOM 587 N THR A 41 11.959 2.111 -4.447 1.00 0.45 N ATOM 588 CA THR A 41 12.505 1.074 -3.585 1.00 0.40 C ATOM 589 C THR A 41 11.578 -0.149 -3.461 1.00 0.52 C ATOM 590 O THR A 41 11.912 -1.088 -2.744 1.00 0.95 O ATOM 591 CB THR A 41 12.795 1.703 -2.216 1.00 0.43 C ATOM 592 OG1 THR A 41 13.223 3.035 -2.424 1.00 0.96 O ATOM 593 CG2 THR A 41 13.892 0.962 -1.443 1.00 0.77 C ATOM 0 H THR A 41 11.631 2.923 -3.924 1.00 0.45 H new ATOM 0 HA THR A 41 13.424 0.691 -4.028 1.00 0.40 H new ATOM 0 HB THR A 41 11.880 1.650 -1.626 1.00 0.43 H new ATOM 0 HG1 THR A 41 13.428 3.451 -1.561 1.00 0.96 H new ATOM 0 HG21 THR A 41 14.054 1.451 -0.483 1.00 0.77 H new ATOM 0 HG22 THR A 41 13.586 -0.071 -1.277 1.00 0.77 H new ATOM 0 HG23 THR A 41 14.817 0.978 -2.019 1.00 0.77 H new ATOM 601 N GLU A 42 10.424 -0.151 -4.141 1.00 0.49 N ATOM 602 CA GLU A 42 9.529 -1.298 -4.238 1.00 0.65 C ATOM 603 C GLU A 42 9.008 -1.719 -2.854 1.00 0.62 C ATOM 604 O GLU A 42 9.054 -2.904 -2.531 1.00 0.99 O ATOM 605 CB GLU A 42 10.257 -2.459 -4.964 1.00 0.93 C ATOM 606 CG GLU A 42 9.304 -3.536 -5.506 1.00 1.58 C ATOM 607 CD GLU A 42 10.028 -4.772 -6.028 1.00 2.81 C ATOM 608 OE1 GLU A 42 10.514 -5.554 -5.178 1.00 4.06 O ATOM 609 OE2 GLU A 42 10.041 -4.935 -7.269 1.00 3.31 O ATOM 0 H GLU A 42 10.084 0.666 -4.648 1.00 0.49 H new ATOM 0 HA GLU A 42 8.653 -1.021 -4.825 1.00 0.65 H new ATOM 0 HB2 GLU A 42 10.840 -2.052 -5.790 1.00 0.93 H new ATOM 0 HB3 GLU A 42 10.962 -2.923 -4.274 1.00 0.93 H new ATOM 0 HG2 GLU A 42 8.615 -3.833 -4.715 1.00 1.58 H new ATOM 0 HG3 GLU A 42 8.703 -3.109 -6.309 1.00 1.58 H new ATOM 616 N LYS A 43 8.500 -0.804 -2.011 1.00 0.37 N ATOM 617 CA LYS A 43 8.080 -1.203 -0.685 1.00 0.54 C ATOM 618 C LYS A 43 7.020 -0.247 -0.171 1.00 0.45 C ATOM 619 O LYS A 43 7.266 0.947 -0.018 1.00 0.64 O ATOM 620 CB LYS A 43 9.315 -1.215 0.214 1.00 0.83 C ATOM 621 CG LYS A 43 9.315 -2.276 1.297 1.00 1.31 C ATOM 622 CD LYS A 43 8.655 -1.679 2.533 1.00 1.42 C ATOM 623 CE LYS A 43 9.105 -2.483 3.760 1.00 2.38 C ATOM 624 NZ LYS A 43 10.471 -2.122 4.179 1.00 2.77 N ATOM 0 H LYS A 43 8.378 0.185 -2.228 1.00 0.37 H new ATOM 0 HA LYS A 43 7.636 -2.199 -0.697 1.00 0.54 H new ATOM 0 HB2 LYS A 43 10.198 -1.356 -0.410 1.00 0.83 H new ATOM 0 HB3 LYS A 43 9.411 -0.237 0.686 1.00 0.83 H new ATOM 0 HG2 LYS A 43 8.773 -3.161 0.964 1.00 1.31 H new ATOM 0 HG3 LYS A 43 10.334 -2.592 1.523 1.00 1.31 H new ATOM 0 HD2 LYS A 43 8.934 -0.631 2.643 1.00 1.42 H new ATOM 0 HD3 LYS A 43 7.570 -1.711 2.436 1.00 1.42 H new ATOM 0 HE2 LYS A 43 8.413 -2.307 4.584 1.00 2.38 H new ATOM 0 HE3 LYS A 43 9.064 -3.548 3.532 1.00 2.38 H new ATOM 0 HZ1 LYS A 43 10.653 -2.499 5.131 1.00 2.77 H new ATOM 0 HZ2 LYS A 43 11.157 -2.526 3.510 1.00 2.77 H new ATOM 0 HZ3 LYS A 43 10.568 -1.087 4.192 1.00 2.77 H new ATOM 638 N LEU A 44 5.841 -0.779 0.116 1.00 0.27 N ATOM 639 CA LEU A 44 4.773 -0.077 0.770 1.00 0.24 C ATOM 640 C LEU A 44 4.697 -0.652 2.177 1.00 0.20 C ATOM 641 O LEU A 44 5.015 -1.821 2.361 1.00 0.36 O ATOM 642 CB LEU A 44 3.523 -0.241 -0.106 1.00 0.33 C ATOM 643 CG LEU A 44 2.346 -0.944 0.534 1.00 0.71 C ATOM 644 CD1 LEU A 44 1.754 -0.058 1.619 1.00 0.83 C ATOM 645 CD2 LEU A 44 1.297 -1.208 -0.543 1.00 1.00 C ATOM 0 H LEU A 44 5.605 -1.745 -0.112 1.00 0.27 H new ATOM 0 HA LEU A 44 4.906 0.999 0.882 1.00 0.24 H new ATOM 0 HB2 LEU A 44 3.198 0.748 -0.427 1.00 0.33 H new ATOM 0 HB3 LEU A 44 3.804 -0.791 -1.004 1.00 0.33 H new ATOM 0 HG LEU A 44 2.667 -1.885 0.981 1.00 0.71 H new ATOM 0 HD11 LEU A 44 0.906 -0.565 2.080 1.00 0.83 H new ATOM 0 HD12 LEU A 44 2.511 0.145 2.376 1.00 0.83 H new ATOM 0 HD13 LEU A 44 1.420 0.882 1.179 1.00 0.83 H new ATOM 0 HD21 LEU A 44 0.440 -1.715 -0.100 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.974 -0.261 -0.976 1.00 1.00 H new ATOM 0 HD23 LEU A 44 1.727 -1.837 -1.323 1.00 1.00 H new ATOM 657 N VAL A 45 4.314 0.172 3.151 1.00 0.16 N ATOM 658 CA VAL A 45 4.081 -0.121 4.534 1.00 0.16 C ATOM 659 C VAL A 45 2.776 0.590 4.896 1.00 0.18 C ATOM 660 O VAL A 45 2.534 1.708 4.427 1.00 0.25 O ATOM 661 CB VAL A 45 5.274 0.365 5.373 1.00 0.21 C ATOM 662 CG1 VAL A 45 4.853 0.742 6.793 1.00 0.24 C ATOM 663 CG2 VAL A 45 6.336 -0.729 5.429 1.00 0.28 C ATOM 0 H VAL A 45 4.147 1.159 2.953 1.00 0.16 H new ATOM 0 HA VAL A 45 3.988 -1.189 4.732 1.00 0.16 H new ATOM 0 HB VAL A 45 5.678 1.258 4.896 1.00 0.21 H new ATOM 0 HG11 VAL A 45 5.725 1.080 7.353 1.00 0.24 H new ATOM 0 HG12 VAL A 45 4.114 1.543 6.753 1.00 0.24 H new ATOM 0 HG13 VAL A 45 4.419 -0.128 7.287 1.00 0.24 H new ATOM 0 HG21 VAL A 45 7.182 -0.385 6.024 1.00 0.28 H new ATOM 0 HG22 VAL A 45 5.913 -1.624 5.884 1.00 0.28 H new ATOM 0 HG23 VAL A 45 6.673 -0.961 4.419 1.00 0.28 H new ATOM 673 N VAL A 46 1.950 -0.067 5.711 1.00 0.20 N ATOM 674 CA VAL A 46 0.747 0.490 6.307 1.00 0.21 C ATOM 675 C VAL A 46 0.762 0.183 7.794 1.00 0.22 C ATOM 676 O VAL A 46 1.138 -0.925 8.173 1.00 0.35 O ATOM 677 CB VAL A 46 -0.499 -0.150 5.682 1.00 0.39 C ATOM 678 CG1 VAL A 46 -1.770 0.304 6.397 1.00 0.83 C ATOM 679 CG2 VAL A 46 -0.612 0.239 4.214 1.00 0.29 C ATOM 0 H VAL A 46 2.111 -1.037 5.981 1.00 0.20 H new ATOM 0 HA VAL A 46 0.720 1.566 6.133 1.00 0.21 H new ATOM 0 HB VAL A 46 -0.394 -1.230 5.780 1.00 0.39 H new ATOM 0 HG11 VAL A 46 -2.637 -0.166 5.932 1.00 0.83 H new ATOM 0 HG12 VAL A 46 -1.720 0.015 7.447 1.00 0.83 H new ATOM 0 HG13 VAL A 46 -1.862 1.388 6.323 1.00 0.83 H new ATOM 0 HG21 VAL A 46 -1.501 -0.222 3.783 1.00 0.29 H new ATOM 0 HG22 VAL A 46 -0.688 1.323 4.130 1.00 0.29 H new ATOM 0 HG23 VAL A 46 0.272 -0.105 3.677 1.00 0.29 H new ATOM 689 N ASP A 47 0.274 1.124 8.605 1.00 0.21 N ATOM 690 CA ASP A 47 0.007 0.892 10.013 1.00 0.26 C ATOM 691 C ASP A 47 -1.479 1.145 10.244 1.00 0.30 C ATOM 692 O ASP A 47 -1.957 2.287 10.194 1.00 0.41 O ATOM 693 CB ASP A 47 0.929 1.761 10.859 1.00 0.39 C ATOM 694 CG ASP A 47 2.280 1.086 11.059 1.00 1.08 C ATOM 695 OD1 ASP A 47 3.157 1.284 10.190 1.00 1.71 O ATOM 696 OD2 ASP A 47 2.406 0.365 12.072 1.00 2.13 O ATOM 0 H ASP A 47 0.054 2.071 8.295 1.00 0.21 H new ATOM 0 HA ASP A 47 0.219 -0.134 10.314 1.00 0.26 H new ATOM 0 HB2 ASP A 47 1.069 2.728 10.375 1.00 0.39 H new ATOM 0 HB3 ASP A 47 0.467 1.953 11.827 1.00 0.39 H new ATOM 701 N ALA A 48 -2.214 0.044 10.421 1.00 0.38 N ATOM 702 CA ALA A 48 -3.669 0.017 10.494 1.00 0.48 C ATOM 703 C ALA A 48 -4.133 -0.426 11.876 1.00 0.83 C ATOM 704 O ALA A 48 -3.538 -1.339 12.447 1.00 1.12 O ATOM 705 CB ALA A 48 -4.206 -0.964 9.451 1.00 0.44 C ATOM 0 H ALA A 48 -1.795 -0.881 10.520 1.00 0.38 H new ATOM 0 HA ALA A 48 -4.046 1.022 10.302 1.00 0.48 H new ATOM 0 HB1 ALA A 48 -5.295 -0.988 9.501 1.00 0.44 H new ATOM 0 HB2 ALA A 48 -3.896 -0.644 8.456 1.00 0.44 H new ATOM 0 HB3 ALA A 48 -3.811 -1.960 9.651 1.00 0.44 H new ATOM 711 N ASP A 49 -5.227 0.164 12.369 1.00 0.97 N ATOM 712 CA ASP A 49 -5.830 -0.218 13.649 1.00 1.27 C ATOM 713 C ASP A 49 -7.101 -1.035 13.415 1.00 1.06 C ATOM 714 O ASP A 49 -8.172 -0.760 13.950 1.00 1.20 O ATOM 715 CB ASP A 49 -6.031 0.998 14.565 1.00 1.68 C ATOM 716 CG ASP A 49 -4.750 1.306 15.327 1.00 1.87 C ATOM 717 OD1 ASP A 49 -3.878 1.954 14.713 1.00 2.84 O ATOM 718 OD2 ASP A 49 -4.645 0.855 16.487 1.00 2.28 O ATOM 0 H ASP A 49 -5.719 0.919 11.892 1.00 0.97 H new ATOM 0 HA ASP A 49 -5.140 -0.867 14.188 1.00 1.27 H new ATOM 0 HB2 ASP A 49 -6.326 1.864 13.972 1.00 1.68 H new ATOM 0 HB3 ASP A 49 -6.841 0.802 15.267 1.00 1.68 H new ATOM 723 N ASN A 50 -6.916 -2.126 12.673 1.00 0.72 N ATOM 724 CA ASN A 50 -7.710 -3.343 12.746 1.00 0.50 C ATOM 725 C ASN A 50 -6.967 -4.390 11.934 1.00 0.64 C ATOM 726 O ASN A 50 -6.248 -5.200 12.509 1.00 1.03 O ATOM 727 CB ASN A 50 -9.208 -3.207 12.386 1.00 1.04 C ATOM 728 CG ASN A 50 -9.575 -2.339 11.179 1.00 1.42 C ATOM 729 OD1 ASN A 50 -9.579 -2.873 9.955 1.00 2.39 O flip ATOM 730 ND2 ASN A 50 -9.918 -1.174 11.339 1.00 2.10 N flip ATOM 0 H ASN A 50 -6.175 -2.184 11.975 1.00 0.72 H new ATOM 0 HA ASN A 50 -7.795 -3.643 13.790 1.00 0.50 H new ATOM 0 HB2 ASN A 50 -9.603 -4.208 12.212 1.00 1.04 H new ATOM 0 HB3 ASN A 50 -9.727 -2.807 13.257 1.00 1.04 H new ATOM 0 HD21 ASN A 50 -9.915 -0.765 12.274 1.00 2.10 H new ATOM 0 HD22 ASN A 50 -10.206 -0.613 10.538 1.00 2.10 H new ATOM 737 N ASP A 51 -7.103 -4.319 10.609 1.00 0.62 N ATOM 738 CA ASP A 51 -6.538 -5.216 9.613 1.00 0.75 C ATOM 739 C ASP A 51 -7.207 -4.902 8.280 1.00 0.62 C ATOM 740 O ASP A 51 -8.433 -4.790 8.234 1.00 0.92 O ATOM 741 CB ASP A 51 -6.806 -6.690 9.932 1.00 1.06 C ATOM 742 CG ASP A 51 -5.752 -7.606 9.321 1.00 1.47 C ATOM 743 OD1 ASP A 51 -4.543 -7.302 9.477 1.00 2.59 O ATOM 744 OD2 ASP A 51 -6.126 -8.637 8.736 1.00 1.71 O ATOM 0 H ASP A 51 -7.653 -3.576 10.177 1.00 0.62 H new ATOM 0 HA ASP A 51 -5.459 -5.066 9.593 1.00 0.75 H new ATOM 0 HB2 ASP A 51 -6.825 -6.830 11.013 1.00 1.06 H new ATOM 0 HB3 ASP A 51 -7.791 -6.969 9.557 1.00 1.06 H new ATOM 749 N ILE A 52 -6.413 -4.727 7.226 1.00 0.52 N ATOM 750 CA ILE A 52 -6.874 -4.338 5.898 1.00 0.47 C ATOM 751 C ILE A 52 -5.948 -4.860 4.805 1.00 0.49 C ATOM 752 O ILE A 52 -6.060 -4.436 3.673 1.00 0.44 O ATOM 753 CB ILE A 52 -6.954 -2.799 5.790 1.00 0.47 C ATOM 754 CG1 ILE A 52 -5.817 -2.065 6.519 1.00 0.44 C ATOM 755 CG2 ILE A 52 -8.295 -2.288 6.281 1.00 0.46 C ATOM 756 CD1 ILE A 52 -4.569 -2.042 5.650 1.00 0.58 C ATOM 0 H ILE A 52 -5.402 -4.856 7.275 1.00 0.52 H new ATOM 0 HA ILE A 52 -7.862 -4.777 5.758 1.00 0.47 H new ATOM 0 HB ILE A 52 -6.841 -2.577 4.729 1.00 0.47 H new ATOM 0 HG12 ILE A 52 -6.124 -1.046 6.755 1.00 0.44 H new ATOM 0 HG13 ILE A 52 -5.602 -2.561 7.466 1.00 0.44 H new ATOM 0 HG21 ILE A 52 -8.325 -1.202 6.194 1.00 0.46 H new ATOM 0 HG22 ILE A 52 -9.093 -2.722 5.678 1.00 0.46 H new ATOM 0 HG23 ILE A 52 -8.433 -2.572 7.324 1.00 0.46 H new ATOM 0 HD11 ILE A 52 -3.769 -1.520 6.175 1.00 0.58 H new ATOM 0 HD12 ILE A 52 -4.256 -3.064 5.436 1.00 0.58 H new ATOM 0 HD13 ILE A 52 -4.786 -1.526 4.715 1.00 0.58 H new ATOM 768 N ARG A 53 -4.976 -5.709 5.097 1.00 0.66 N ATOM 769 CA ARG A 53 -3.849 -5.920 4.173 1.00 0.53 C ATOM 770 C ARG A 53 -4.328 -6.520 2.860 1.00 0.46 C ATOM 771 O ARG A 53 -4.012 -6.037 1.779 1.00 0.37 O ATOM 772 CB ARG A 53 -2.749 -6.804 4.764 1.00 0.58 C ATOM 773 CG ARG A 53 -2.897 -6.891 6.272 1.00 0.61 C ATOM 774 CD ARG A 53 -1.759 -7.628 6.932 1.00 1.12 C ATOM 775 NE ARG A 53 -2.303 -8.084 8.227 1.00 1.57 N ATOM 776 CZ ARG A 53 -2.225 -9.264 8.846 1.00 2.00 C ATOM 777 NH1 ARG A 53 -1.363 -10.204 8.451 1.00 2.23 N ATOM 778 NH2 ARG A 53 -3.054 -9.467 9.872 1.00 2.43 N ATOM 0 H ARG A 53 -4.935 -6.262 5.953 1.00 0.66 H new ATOM 0 HA ARG A 53 -3.419 -4.934 3.994 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -2.802 -7.802 4.328 1.00 0.58 H new ATOM 0 HB3 ARG A 53 -1.770 -6.397 4.511 1.00 0.58 H new ATOM 0 HG2 ARG A 53 -2.959 -5.884 6.685 1.00 0.61 H new ATOM 0 HG3 ARG A 53 -3.835 -7.392 6.512 1.00 0.61 H new ATOM 0 HD2 ARG A 53 -1.428 -8.470 6.324 1.00 1.12 H new ATOM 0 HD3 ARG A 53 -0.896 -6.978 7.073 1.00 1.12 H new ATOM 0 HE ARG A 53 -2.829 -7.374 8.737 1.00 1.57 H new ATOM 0 HH11 ARG A 53 -0.744 -10.028 7.659 1.00 2.23 H new ATOM 0 HH12 ARG A 53 -1.323 -11.098 8.941 1.00 2.23 H new ATOM 0 HH21 ARG A 53 -3.709 -8.736 10.151 1.00 2.43 H new ATOM 0 HH22 ARG A 53 -3.033 -10.353 10.377 1.00 2.43 H new ATOM 792 N ALA A 54 -5.149 -7.560 2.984 1.00 0.58 N ATOM 793 CA ALA A 54 -5.818 -8.181 1.856 1.00 0.56 C ATOM 794 C ALA A 54 -6.790 -7.196 1.173 1.00 0.48 C ATOM 795 O ALA A 54 -7.182 -7.382 0.025 1.00 0.61 O ATOM 796 CB ALA A 54 -6.448 -9.484 2.327 1.00 0.79 C ATOM 0 H ALA A 54 -5.367 -7.995 3.880 1.00 0.58 H new ATOM 0 HA ALA A 54 -5.107 -8.437 1.070 1.00 0.56 H new ATOM 0 HB1 ALA A 54 -6.956 -9.965 1.491 1.00 0.79 H new ATOM 0 HB2 ALA A 54 -5.671 -10.146 2.710 1.00 0.79 H new ATOM 0 HB3 ALA A 54 -7.168 -9.275 3.118 1.00 0.79 H new ATOM 802 N GLN A 55 -7.172 -6.126 1.878 1.00 0.49 N ATOM 803 CA GLN A 55 -7.896 -4.989 1.337 1.00 0.45 C ATOM 804 C GLN A 55 -6.951 -4.094 0.526 1.00 0.34 C ATOM 805 O GLN A 55 -7.248 -3.746 -0.613 1.00 0.34 O ATOM 806 CB GLN A 55 -8.628 -4.264 2.480 1.00 0.66 C ATOM 807 CG GLN A 55 -10.049 -3.828 2.115 1.00 0.76 C ATOM 808 CD GLN A 55 -10.768 -3.279 3.344 1.00 1.58 C ATOM 809 OE1 GLN A 55 -11.018 -2.084 3.448 1.00 3.16 O ATOM 810 NE2 GLN A 55 -11.089 -4.147 4.301 1.00 1.10 N ATOM 0 H GLN A 55 -6.975 -6.032 2.874 1.00 0.49 H new ATOM 0 HA GLN A 55 -8.662 -5.315 0.634 1.00 0.45 H new ATOM 0 HB2 GLN A 55 -8.670 -4.921 3.349 1.00 0.66 H new ATOM 0 HB3 GLN A 55 -8.051 -3.387 2.772 1.00 0.66 H new ATOM 0 HG2 GLN A 55 -10.014 -3.067 1.336 1.00 0.76 H new ATOM 0 HG3 GLN A 55 -10.603 -4.674 1.709 1.00 0.76 H new ATOM 0 HE21 GLN A 55 -10.869 -5.136 4.187 1.00 1.10 H new ATOM 0 HE22 GLN A 55 -11.555 -3.823 5.148 1.00 1.10 H new ATOM 819 N VAL A 56 -5.798 -3.743 1.099 1.00 0.31 N ATOM 820 CA VAL A 56 -4.781 -2.899 0.501 1.00 0.26 C ATOM 821 C VAL A 56 -4.309 -3.509 -0.806 1.00 0.22 C ATOM 822 O VAL A 56 -4.258 -2.830 -1.825 1.00 0.25 O ATOM 823 CB VAL A 56 -3.592 -2.709 1.427 1.00 0.30 C ATOM 824 CG1 VAL A 56 -2.401 -2.079 0.686 1.00 0.33 C ATOM 825 CG2 VAL A 56 -3.996 -1.791 2.568 1.00 0.35 C ATOM 0 H VAL A 56 -5.544 -4.058 2.035 1.00 0.31 H new ATOM 0 HA VAL A 56 -5.228 -1.922 0.318 1.00 0.26 H new ATOM 0 HB VAL A 56 -3.290 -3.687 1.802 1.00 0.30 H new ATOM 0 HG11 VAL A 56 -1.567 -1.956 1.376 1.00 0.33 H new ATOM 0 HG12 VAL A 56 -2.099 -2.728 -0.136 1.00 0.33 H new ATOM 0 HG13 VAL A 56 -2.692 -1.105 0.292 1.00 0.33 H new ATOM 0 HG21 VAL A 56 -3.148 -1.649 3.238 1.00 0.35 H new ATOM 0 HG22 VAL A 56 -4.307 -0.827 2.166 1.00 0.35 H new ATOM 0 HG23 VAL A 56 -4.823 -2.238 3.119 1.00 0.35 H new ATOM 835 N GLU A 57 -3.911 -4.780 -0.761 1.00 0.24 N ATOM 836 CA GLU A 57 -3.329 -5.441 -1.908 1.00 0.29 C ATOM 837 C GLU A 57 -4.313 -5.410 -3.073 1.00 0.34 C ATOM 838 O GLU A 57 -3.990 -4.865 -4.128 1.00 0.47 O ATOM 839 CB GLU A 57 -2.777 -6.808 -1.489 1.00 0.36 C ATOM 840 CG GLU A 57 -3.818 -7.828 -1.036 1.00 0.70 C ATOM 841 CD GLU A 57 -4.356 -8.681 -2.178 1.00 1.86 C ATOM 842 OE1 GLU A 57 -3.536 -9.403 -2.780 1.00 2.54 O ATOM 843 OE2 GLU A 57 -5.573 -8.572 -2.434 1.00 3.07 O ATOM 0 H GLU A 57 -3.986 -5.369 0.069 1.00 0.24 H new ATOM 0 HA GLU A 57 -2.456 -4.914 -2.293 1.00 0.29 H new ATOM 0 HB2 GLU A 57 -2.223 -7.229 -2.328 1.00 0.36 H new ATOM 0 HB3 GLU A 57 -2.064 -6.659 -0.679 1.00 0.36 H new ATOM 0 HG2 GLU A 57 -3.376 -8.479 -0.282 1.00 0.70 H new ATOM 0 HG3 GLU A 57 -4.647 -7.305 -0.559 1.00 0.70 H new ATOM 850 N SER A 58 -5.548 -5.868 -2.856 1.00 0.37 N ATOM 851 CA SER A 58 -6.594 -5.741 -3.854 1.00 0.47 C ATOM 852 C SER A 58 -6.810 -4.270 -4.225 1.00 0.32 C ATOM 853 O SER A 58 -7.049 -3.973 -5.387 1.00 0.42 O ATOM 854 CB SER A 58 -7.893 -6.432 -3.417 1.00 0.75 C ATOM 855 OG SER A 58 -8.551 -7.013 -4.545 1.00 1.40 O ATOM 0 H SER A 58 -5.841 -6.329 -1.995 1.00 0.37 H new ATOM 0 HA SER A 58 -6.266 -6.261 -4.754 1.00 0.47 H new ATOM 0 HB2 SER A 58 -7.672 -7.204 -2.680 1.00 0.75 H new ATOM 0 HB3 SER A 58 -8.552 -5.710 -2.935 1.00 0.75 H new ATOM 0 HG SER A 58 -9.377 -7.452 -4.252 1.00 1.40 H new ATOM 861 N ALA A 59 -6.714 -3.327 -3.283 1.00 0.30 N ATOM 862 CA ALA A 59 -6.916 -1.913 -3.596 1.00 0.40 C ATOM 863 C ALA A 59 -5.859 -1.422 -4.588 1.00 0.42 C ATOM 864 O ALA A 59 -6.194 -0.796 -5.593 1.00 0.53 O ATOM 865 CB ALA A 59 -6.950 -1.051 -2.330 1.00 0.47 C ATOM 0 H ALA A 59 -6.499 -3.517 -2.304 1.00 0.30 H new ATOM 0 HA ALA A 59 -7.892 -1.812 -4.071 1.00 0.40 H new ATOM 0 HB1 ALA A 59 -7.102 -0.007 -2.605 1.00 0.47 H new ATOM 0 HB2 ALA A 59 -7.767 -1.380 -1.688 1.00 0.47 H new ATOM 0 HB3 ALA A 59 -6.005 -1.152 -1.796 1.00 0.47 H new ATOM 871 N LEU A 60 -4.586 -1.737 -4.344 1.00 0.33 N ATOM 872 CA LEU A 60 -3.502 -1.467 -5.278 1.00 0.31 C ATOM 873 C LEU A 60 -3.777 -2.173 -6.600 1.00 0.40 C ATOM 874 O LEU A 60 -3.619 -1.597 -7.673 1.00 0.50 O ATOM 875 CB LEU A 60 -2.165 -1.941 -4.686 1.00 0.19 C ATOM 876 CG LEU A 60 -1.360 -0.755 -4.139 1.00 0.27 C ATOM 877 CD1 LEU A 60 -2.043 -0.227 -2.874 1.00 0.52 C ATOM 878 CD2 LEU A 60 0.083 -1.134 -3.816 1.00 0.57 C ATOM 0 H LEU A 60 -4.280 -2.191 -3.483 1.00 0.33 H new ATOM 0 HA LEU A 60 -3.440 -0.393 -5.456 1.00 0.31 H new ATOM 0 HB2 LEU A 60 -2.350 -2.660 -3.888 1.00 0.19 H new ATOM 0 HB3 LEU A 60 -1.586 -2.457 -5.452 1.00 0.19 H new ATOM 0 HG LEU A 60 -1.331 0.013 -4.912 1.00 0.27 H new ATOM 0 HD11 LEU A 60 -1.476 0.616 -2.479 1.00 0.52 H new ATOM 0 HD12 LEU A 60 -3.055 0.097 -3.115 1.00 0.52 H new ATOM 0 HD13 LEU A 60 -2.084 -1.018 -2.126 1.00 0.52 H new ATOM 0 HD21 LEU A 60 0.611 -0.261 -3.432 1.00 0.57 H new ATOM 0 HD22 LEU A 60 0.092 -1.923 -3.064 1.00 0.57 H new ATOM 0 HD23 LEU A 60 0.577 -1.489 -4.721 1.00 0.57 H new ATOM 890 N GLN A 61 -4.199 -3.429 -6.525 1.00 0.40 N ATOM 891 CA GLN A 61 -4.545 -4.214 -7.690 1.00 0.54 C ATOM 892 C GLN A 61 -5.599 -3.466 -8.521 1.00 0.68 C ATOM 893 O GLN A 61 -5.460 -3.343 -9.733 1.00 0.77 O ATOM 894 CB GLN A 61 -4.958 -5.617 -7.217 1.00 0.59 C ATOM 895 CG GLN A 61 -4.799 -6.698 -8.281 1.00 0.58 C ATOM 896 CD GLN A 61 -5.859 -6.553 -9.356 1.00 2.74 C ATOM 897 OE1 GLN A 61 -7.049 -6.751 -9.088 1.00 3.23 O ATOM 898 NE2 GLN A 61 -5.423 -6.167 -10.551 1.00 4.49 N ATOM 0 H GLN A 61 -4.310 -3.930 -5.644 1.00 0.40 H new ATOM 0 HA GLN A 61 -3.701 -4.352 -8.365 1.00 0.54 H new ATOM 0 HB2 GLN A 61 -4.360 -5.887 -6.346 1.00 0.59 H new ATOM 0 HB3 GLN A 61 -5.998 -5.589 -6.893 1.00 0.59 H new ATOM 0 HG2 GLN A 61 -3.808 -6.631 -8.729 1.00 0.58 H new ATOM 0 HG3 GLN A 61 -4.874 -7.683 -7.820 1.00 0.58 H new ATOM 0 HE21 GLN A 61 -4.426 -6.021 -10.707 1.00 4.49 H new ATOM 0 HE22 GLN A 61 -6.086 -6.017 -11.312 1.00 4.49 H new ATOM 907 N LYS A 62 -6.622 -2.917 -7.863 1.00 0.72 N ATOM 908 CA LYS A 62 -7.719 -2.205 -8.509 1.00 0.81 C ATOM 909 C LYS A 62 -7.228 -0.868 -9.067 1.00 0.90 C ATOM 910 O LYS A 62 -7.594 -0.495 -10.178 1.00 1.03 O ATOM 911 CB LYS A 62 -8.914 -2.028 -7.548 1.00 0.82 C ATOM 912 CG LYS A 62 -9.927 -3.185 -7.633 1.00 0.95 C ATOM 913 CD LYS A 62 -9.330 -4.498 -7.113 1.00 1.77 C ATOM 914 CE LYS A 62 -10.038 -5.768 -7.583 1.00 2.86 C ATOM 915 NZ LYS A 62 -9.182 -6.941 -7.298 1.00 4.76 N ATOM 0 H LYS A 62 -6.710 -2.957 -6.848 1.00 0.72 H new ATOM 0 HA LYS A 62 -8.076 -2.804 -9.347 1.00 0.81 H new ATOM 0 HB2 LYS A 62 -8.543 -1.950 -6.526 1.00 0.82 H new ATOM 0 HB3 LYS A 62 -9.421 -1.090 -7.775 1.00 0.82 H new ATOM 0 HG2 LYS A 62 -10.816 -2.934 -7.054 1.00 0.95 H new ATOM 0 HG3 LYS A 62 -10.246 -3.314 -8.667 1.00 0.95 H new ATOM 0 HD2 LYS A 62 -8.285 -4.550 -7.419 1.00 1.77 H new ATOM 0 HD3 LYS A 62 -9.342 -4.477 -6.023 1.00 1.77 H new ATOM 0 HE2 LYS A 62 -10.997 -5.872 -7.076 1.00 2.86 H new ATOM 0 HE3 LYS A 62 -10.247 -5.707 -8.651 1.00 2.86 H new ATOM 0 HZ1 LYS A 62 -9.734 -7.813 -7.425 1.00 4.76 H new ATOM 0 HZ2 LYS A 62 -8.372 -6.946 -7.950 1.00 4.76 H new ATOM 0 HZ3 LYS A 62 -8.838 -6.890 -6.318 1.00 4.76 H new ATOM 929 N ALA A 63 -6.391 -0.153 -8.311 1.00 0.81 N ATOM 930 CA ALA A 63 -5.737 1.057 -8.792 1.00 0.81 C ATOM 931 C ALA A 63 -4.896 0.759 -10.040 1.00 0.77 C ATOM 932 O ALA A 63 -4.823 1.590 -10.942 1.00 0.84 O ATOM 933 CB ALA A 63 -4.892 1.675 -7.675 1.00 0.71 C ATOM 0 H ALA A 63 -6.151 -0.400 -7.351 1.00 0.81 H new ATOM 0 HA ALA A 63 -6.498 1.782 -9.080 1.00 0.81 H new ATOM 0 HB1 ALA A 63 -4.407 2.579 -8.043 1.00 0.71 H new ATOM 0 HB2 ALA A 63 -5.533 1.926 -6.830 1.00 0.71 H new ATOM 0 HB3 ALA A 63 -4.133 0.961 -7.355 1.00 0.71 H new ATOM 939 N GLY A 64 -4.287 -0.430 -10.088 1.00 0.71 N ATOM 940 CA GLY A 64 -3.636 -0.989 -11.264 1.00 0.74 C ATOM 941 C GLY A 64 -2.180 -1.347 -10.985 1.00 0.63 C ATOM 942 O GLY A 64 -1.304 -0.996 -11.771 1.00 0.72 O ATOM 0 H GLY A 64 -4.235 -1.047 -9.277 1.00 0.71 H new ATOM 0 HA2 GLY A 64 -4.174 -1.879 -11.589 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -3.684 -0.271 -12.083 1.00 0.74 H new ATOM 946 N TYR A 65 -1.916 -2.046 -9.877 1.00 0.51 N ATOM 947 CA TYR A 65 -0.592 -2.504 -9.499 1.00 0.50 C ATOM 948 C TYR A 65 -0.594 -4.028 -9.315 1.00 0.59 C ATOM 949 O TYR A 65 -1.612 -4.691 -9.505 1.00 0.84 O ATOM 950 CB TYR A 65 -0.184 -1.763 -8.224 1.00 0.39 C ATOM 951 CG TYR A 65 0.014 -0.270 -8.402 1.00 0.32 C ATOM 952 CD1 TYR A 65 1.198 0.224 -8.981 1.00 1.68 C ATOM 953 CD2 TYR A 65 -0.994 0.628 -8.004 1.00 1.76 C ATOM 954 CE1 TYR A 65 1.385 1.609 -9.127 1.00 1.78 C ATOM 955 CE2 TYR A 65 -0.817 2.011 -8.172 1.00 1.69 C ATOM 956 CZ TYR A 65 0.385 2.502 -8.711 1.00 0.47 C ATOM 957 OH TYR A 65 0.613 3.844 -8.774 1.00 0.69 O ATOM 0 H TYR A 65 -2.639 -2.311 -9.208 1.00 0.51 H new ATOM 0 HA TYR A 65 0.137 -2.287 -10.280 1.00 0.50 H new ATOM 0 HB2 TYR A 65 -0.947 -1.928 -7.463 1.00 0.39 H new ATOM 0 HB3 TYR A 65 0.742 -2.197 -7.847 1.00 0.39 H new ATOM 0 HD1 TYR A 65 1.963 -0.462 -9.313 1.00 1.68 H new ATOM 0 HD2 TYR A 65 -1.907 0.252 -7.568 1.00 1.76 H new ATOM 0 HE1 TYR A 65 2.299 1.987 -9.560 1.00 1.78 H new ATOM 0 HE2 TYR A 65 -1.602 2.696 -7.888 1.00 1.69 H new ATOM 0 HH TYR A 65 -0.177 4.326 -8.451 1.00 0.69 H new ATOM 967 N SER A 66 0.568 -4.566 -8.943 1.00 0.58 N ATOM 968 CA SER A 66 0.871 -5.982 -8.852 1.00 0.57 C ATOM 969 C SER A 66 1.862 -6.175 -7.705 1.00 0.49 C ATOM 970 O SER A 66 3.023 -6.507 -7.935 1.00 0.70 O ATOM 971 CB SER A 66 1.476 -6.460 -10.181 1.00 0.75 C ATOM 972 OG SER A 66 0.565 -6.247 -11.243 1.00 1.78 O ATOM 0 H SER A 66 1.365 -3.985 -8.683 1.00 0.58 H new ATOM 0 HA SER A 66 -0.030 -6.564 -8.661 1.00 0.57 H new ATOM 0 HB2 SER A 66 2.405 -5.925 -10.378 1.00 0.75 H new ATOM 0 HB3 SER A 66 1.725 -7.519 -10.114 1.00 0.75 H new ATOM 0 HG SER A 66 0.964 -6.555 -12.083 1.00 1.78 H new ATOM 978 N LEU A 67 1.410 -5.939 -6.470 1.00 0.30 N ATOM 979 CA LEU A 67 2.265 -6.097 -5.305 1.00 0.38 C ATOM 980 C LEU A 67 2.406 -7.559 -4.906 1.00 0.50 C ATOM 981 O LEU A 67 1.783 -8.440 -5.497 1.00 0.55 O ATOM 982 CB LEU A 67 1.803 -5.194 -4.149 1.00 0.33 C ATOM 983 CG LEU A 67 0.488 -5.572 -3.457 1.00 0.48 C ATOM 984 CD1 LEU A 67 0.613 -6.870 -2.669 1.00 2.16 C ATOM 985 CD2 LEU A 67 0.156 -4.441 -2.488 1.00 1.92 C ATOM 0 H LEU A 67 0.458 -5.639 -6.258 1.00 0.30 H new ATOM 0 HA LEU A 67 3.268 -5.764 -5.573 1.00 0.38 H new ATOM 0 HB2 LEU A 67 2.590 -5.178 -3.396 1.00 0.33 H new ATOM 0 HB3 LEU A 67 1.706 -4.178 -4.530 1.00 0.33 H new ATOM 0 HG LEU A 67 -0.287 -5.718 -4.209 1.00 0.48 H new ATOM 0 HD11 LEU A 67 -0.341 -7.101 -2.195 1.00 2.16 H new ATOM 0 HD12 LEU A 67 0.888 -7.680 -3.344 1.00 2.16 H new ATOM 0 HD13 LEU A 67 1.381 -6.759 -1.904 1.00 2.16 H new ATOM 0 HD21 LEU A 67 -0.776 -4.667 -1.970 1.00 1.92 H new ATOM 0 HD22 LEU A 67 0.960 -4.338 -1.759 1.00 1.92 H new ATOM 0 HD23 LEU A 67 0.047 -3.508 -3.041 1.00 1.92 H new ATOM 997 N ARG A 68 3.207 -7.809 -3.868 1.00 0.59 N ATOM 998 CA ARG A 68 3.265 -9.098 -3.208 1.00 0.73 C ATOM 999 C ARG A 68 3.464 -8.898 -1.702 1.00 0.64 C ATOM 1000 O ARG A 68 4.265 -8.053 -1.300 1.00 0.59 O ATOM 1001 CB ARG A 68 4.372 -9.920 -3.872 1.00 0.92 C ATOM 1002 CG ARG A 68 4.361 -11.372 -3.392 1.00 1.10 C ATOM 1003 CD ARG A 68 4.876 -12.285 -4.511 1.00 2.02 C ATOM 1004 NE ARG A 68 5.069 -13.668 -4.045 1.00 2.49 N ATOM 1005 CZ ARG A 68 6.184 -14.132 -3.457 1.00 3.80 C ATOM 1006 NH1 ARG A 68 7.180 -13.289 -3.169 1.00 5.09 N ATOM 1007 NH2 ARG A 68 6.297 -15.432 -3.166 1.00 4.49 N ATOM 0 H ARG A 68 3.834 -7.113 -3.466 1.00 0.59 H new ATOM 0 HA ARG A 68 2.332 -9.652 -3.315 1.00 0.73 H new ATOM 0 HB2 ARG A 68 4.246 -9.893 -4.954 1.00 0.92 H new ATOM 0 HB3 ARG A 68 5.341 -9.471 -3.652 1.00 0.92 H new ATOM 0 HG2 ARG A 68 4.986 -11.478 -2.505 1.00 1.10 H new ATOM 0 HG3 ARG A 68 3.350 -11.664 -3.106 1.00 1.10 H new ATOM 0 HD2 ARG A 68 4.169 -12.277 -5.341 1.00 2.02 H new ATOM 0 HD3 ARG A 68 5.820 -11.895 -4.892 1.00 2.02 H new ATOM 0 HE ARG A 68 4.298 -14.323 -4.179 1.00 2.49 H new ATOM 0 HH11 ARG A 68 7.091 -12.298 -3.396 1.00 5.09 H new ATOM 0 HH12 ARG A 68 8.029 -13.636 -2.722 1.00 5.09 H new ATOM 0 HH21 ARG A 68 5.536 -16.073 -3.391 1.00 4.49 H new ATOM 0 HH22 ARG A 68 7.144 -15.783 -2.720 1.00 4.49 H new ATOM 1021 N ASP A 69 2.689 -9.642 -0.896 1.00 0.65 N ATOM 1022 CA ASP A 69 2.777 -9.732 0.565 1.00 0.68 C ATOM 1023 C ASP A 69 4.207 -9.626 1.090 1.00 0.62 C ATOM 1024 O ASP A 69 5.094 -10.309 0.574 1.00 0.98 O ATOM 1025 CB ASP A 69 2.138 -11.023 1.076 1.00 1.05 C ATOM 1026 CG ASP A 69 2.117 -10.974 2.599 1.00 1.51 C ATOM 1027 OD1 ASP A 69 1.150 -10.386 3.127 1.00 2.44 O ATOM 1028 OD2 ASP A 69 3.110 -11.442 3.200 1.00 2.49 O ATOM 0 H ASP A 69 1.943 -10.229 -1.271 1.00 0.65 H new ATOM 0 HA ASP A 69 2.226 -8.873 0.948 1.00 0.68 H new ATOM 0 HB2 ASP A 69 1.126 -11.127 0.685 1.00 1.05 H new ATOM 0 HB3 ASP A 69 2.703 -11.889 0.731 1.00 1.05 H new ATOM 1033 N GLU A 70 4.413 -8.796 2.121 1.00 0.41 N ATOM 1034 CA GLU A 70 5.665 -8.752 2.850 1.00 0.48 C ATOM 1035 C GLU A 70 5.425 -8.871 4.361 1.00 0.54 C ATOM 1036 O GLU A 70 5.922 -8.066 5.152 1.00 0.58 O ATOM 1037 CB GLU A 70 6.415 -7.472 2.463 1.00 0.57 C ATOM 1038 CG GLU A 70 7.855 -7.821 2.092 1.00 1.09 C ATOM 1039 CD GLU A 70 8.728 -6.596 1.850 1.00 1.26 C ATOM 1040 OE1 GLU A 70 8.283 -5.491 2.231 1.00 2.40 O ATOM 1041 OE2 GLU A 70 9.826 -6.783 1.282 1.00 2.02 O ATOM 0 H GLU A 70 3.711 -8.141 2.465 1.00 0.41 H new ATOM 0 HA GLU A 70 6.288 -9.605 2.581 1.00 0.48 H new ATOM 0 HB2 GLU A 70 5.919 -6.986 1.623 1.00 0.57 H new ATOM 0 HB3 GLU A 70 6.403 -6.765 3.293 1.00 0.57 H new ATOM 0 HG2 GLU A 70 8.294 -8.419 2.890 1.00 1.09 H new ATOM 0 HG3 GLU A 70 7.852 -8.440 1.195 1.00 1.09 H new