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 24 ASN : amide:sc= 0.435 K(o=0.86,f=-0.29) USER MOD Set 1.2: A 28 GLN : amide:sc= 0.423 K(o=0.86,f=-0.056) USER MOD Set 2.1: A 15 CYS SG : rot -6:sc= -5.27! USER MOD Set 2.2: A 18 CYS SG : rot 138:sc= 0.794 USER MOD Set 3.1: A 7 SER OG : rot 23:sc= -0.699 USER MOD Set 3.2: A 43 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.134) USER MOD Single : A 6 TYR OH : rot 158:sc= 0.55 USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.2) USER MOD Single : A 11 SER OG : rot -81:sc= 1.26 USER MOD Single : A 13 MET CE :methyl -168:sc=-0.00482 (180deg=-0.384) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.687 K(o=0.69,f=-0.56) USER MOD Single : A 34 GLN : amide:sc= 1.04 K(o=1,f=-0.11) USER MOD Single : A 36 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0.0167 USER MOD Single : A 50 ASN : amide:sc= -3.29! K(o=-3.3!,f=-0.91) USER MOD Single : A 55 GLN : amide:sc= -0.508 K(o=-0.51,f=-8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0429) USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0401 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 1.883 -3.019 11.922 1.00 0.54 N ATOM 34 CA ARG A 5 2.713 -2.519 10.847 1.00 0.48 C ATOM 35 C ARG A 5 2.883 -3.640 9.827 1.00 0.35 C ATOM 36 O ARG A 5 3.304 -4.741 10.180 1.00 0.47 O ATOM 37 CB ARG A 5 4.049 -2.050 11.434 1.00 0.85 C ATOM 38 CG ARG A 5 4.917 -1.318 10.407 1.00 1.03 C ATOM 39 CD ARG A 5 5.557 -2.254 9.366 1.00 0.88 C ATOM 40 NE ARG A 5 6.983 -1.967 9.146 1.00 1.37 N ATOM 41 CZ ARG A 5 7.963 -2.293 10.007 1.00 1.72 C ATOM 42 NH1 ARG A 5 7.647 -2.805 11.200 1.00 3.07 N ATOM 43 NH2 ARG A 5 9.246 -2.105 9.680 1.00 2.03 N ATOM 0 HA ARG A 5 2.261 -1.665 10.343 1.00 0.48 H new ATOM 0 HB2 ARG A 5 3.858 -1.390 12.280 1.00 0.85 H new ATOM 0 HB3 ARG A 5 4.595 -2.911 11.819 1.00 0.85 H new ATOM 0 HG2 ARG A 5 4.308 -0.576 9.891 1.00 1.03 H new ATOM 0 HG3 ARG A 5 5.705 -0.776 10.930 1.00 1.03 H new ATOM 0 HD2 ARG A 5 5.445 -3.287 9.695 1.00 0.88 H new ATOM 0 HD3 ARG A 5 5.022 -2.160 8.421 1.00 0.88 H new ATOM 0 HE ARG A 5 7.246 -1.489 8.284 1.00 1.37 H new ATOM 0 HH11 ARG A 5 6.669 -2.946 11.452 1.00 3.07 H new ATOM 0 HH12 ARG A 5 8.384 -3.055 11.859 1.00 3.07 H new ATOM 0 HH21 ARG A 5 9.488 -1.711 8.771 1.00 2.03 H new ATOM 0 HH22 ARG A 5 9.982 -2.355 10.340 1.00 2.03 H new ATOM 57 N TYR A 6 2.559 -3.353 8.570 1.00 0.44 N ATOM 58 CA TYR A 6 2.516 -4.317 7.482 1.00 0.39 C ATOM 59 C TYR A 6 3.463 -3.919 6.348 1.00 0.50 C ATOM 60 O TYR A 6 4.052 -2.843 6.403 1.00 1.06 O ATOM 61 CB TYR A 6 1.078 -4.330 6.983 1.00 0.47 C ATOM 62 CG TYR A 6 0.016 -4.562 8.034 1.00 0.55 C ATOM 63 CD1 TYR A 6 0.106 -5.693 8.862 1.00 1.73 C ATOM 64 CD2 TYR A 6 -1.165 -3.797 8.017 1.00 1.96 C ATOM 65 CE1 TYR A 6 -0.986 -6.059 9.670 1.00 1.69 C ATOM 66 CE2 TYR A 6 -2.281 -4.212 8.763 1.00 2.06 C ATOM 67 CZ TYR A 6 -2.180 -5.315 9.623 1.00 0.75 C ATOM 68 OH TYR A 6 -3.246 -5.699 10.384 1.00 0.95 O ATOM 0 H TYR A 6 2.311 -2.409 8.273 1.00 0.44 H new ATOM 0 HA TYR A 6 2.835 -5.301 7.827 1.00 0.39 H new ATOM 0 HB2 TYR A 6 0.875 -3.377 6.493 1.00 0.47 H new ATOM 0 HB3 TYR A 6 0.985 -5.105 6.223 1.00 0.47 H new ATOM 0 HD1 TYR A 6 1.012 -6.281 8.878 1.00 1.73 H new ATOM 0 HD2 TYR A 6 -1.214 -2.891 7.431 1.00 1.96 H new ATOM 0 HE1 TYR A 6 -0.908 -6.912 10.327 1.00 1.69 H new ATOM 0 HE2 TYR A 6 -3.217 -3.681 8.674 1.00 2.06 H new ATOM 0 HH TYR A 6 -3.840 -4.933 10.525 1.00 0.95 H new ATOM 78 N SER A 7 3.622 -4.743 5.303 1.00 0.19 N ATOM 79 CA SER A 7 4.366 -4.360 4.103 1.00 0.17 C ATOM 80 C SER A 7 3.907 -5.141 2.880 1.00 0.14 C ATOM 81 O SER A 7 3.478 -6.286 3.002 1.00 0.17 O ATOM 82 CB SER A 7 5.874 -4.594 4.303 1.00 0.31 C ATOM 83 OG SER A 7 6.427 -3.667 5.216 1.00 1.47 O ATOM 0 H SER A 7 3.239 -5.688 5.269 1.00 0.19 H new ATOM 0 HA SER A 7 4.172 -3.301 3.935 1.00 0.17 H new ATOM 0 HB2 SER A 7 6.041 -5.608 4.667 1.00 0.31 H new ATOM 0 HB3 SER A 7 6.386 -4.511 3.344 1.00 0.31 H new ATOM 0 HG SER A 7 5.719 -3.317 5.796 1.00 1.47 H new ATOM 89 N TRP A 8 4.049 -4.516 1.707 1.00 0.14 N ATOM 90 CA TRP A 8 3.923 -5.169 0.411 1.00 0.16 C ATOM 91 C TRP A 8 5.062 -4.702 -0.485 1.00 0.15 C ATOM 92 O TRP A 8 5.467 -3.541 -0.399 1.00 0.17 O ATOM 93 CB TRP A 8 2.572 -4.857 -0.247 1.00 0.26 C ATOM 94 CG TRP A 8 1.401 -5.233 0.599 1.00 0.23 C ATOM 95 CD1 TRP A 8 0.772 -6.425 0.592 1.00 0.36 C ATOM 96 CD2 TRP A 8 0.776 -4.551 1.703 1.00 0.23 C ATOM 97 NE1 TRP A 8 0.281 -6.642 1.890 1.00 0.29 N ATOM 98 CE2 TRP A 8 0.503 -5.514 2.682 1.00 0.28 C ATOM 99 CE3 TRP A 8 0.342 -3.269 2.073 1.00 0.30 C ATOM 100 CZ2 TRP A 8 0.319 -5.024 4.001 1.00 0.36 C ATOM 101 CZ3 TRP A 8 -0.737 -3.232 2.983 1.00 0.35 C ATOM 102 CH2 TRP A 8 -0.572 -3.957 4.138 1.00 0.37 C ATOM 0 H TRP A 8 4.259 -3.520 1.636 1.00 0.14 H new ATOM 0 HA TRP A 8 3.974 -6.248 0.555 1.00 0.16 H new ATOM 0 HB2 TRP A 8 2.522 -3.791 -0.471 1.00 0.26 H new ATOM 0 HB3 TRP A 8 2.509 -5.386 -1.198 1.00 0.26 H new ATOM 0 HD1 TRP A 8 0.665 -7.089 -0.253 1.00 0.36 H new ATOM 0 HE1 TRP A 8 -0.172 -7.499 2.208 1.00 0.29 H new ATOM 0 HE3 TRP A 8 0.802 -2.371 1.688 1.00 0.30 H new ATOM 0 HZ2 TRP A 8 0.837 -5.450 4.848 1.00 0.36 H new ATOM 0 HZ3 TRP A 8 -1.636 -2.669 2.783 1.00 0.35 H new ATOM 0 HH2 TRP A 8 -1.081 -3.725 5.062 1.00 0.37 H new ATOM 113 N LYS A 9 5.521 -5.591 -1.368 1.00 0.21 N ATOM 114 CA LYS A 9 6.471 -5.273 -2.426 1.00 0.30 C ATOM 115 C LYS A 9 5.650 -5.053 -3.686 1.00 0.40 C ATOM 116 O LYS A 9 4.873 -5.942 -4.025 1.00 0.44 O ATOM 117 CB LYS A 9 7.483 -6.415 -2.616 1.00 0.44 C ATOM 118 CG LYS A 9 6.870 -7.764 -3.045 1.00 0.89 C ATOM 119 CD LYS A 9 7.696 -8.971 -2.587 1.00 0.79 C ATOM 120 CE LYS A 9 9.142 -8.938 -3.108 1.00 1.16 C ATOM 121 NZ LYS A 9 10.105 -9.214 -2.023 1.00 1.98 N ATOM 0 H LYS A 9 5.235 -6.570 -1.364 1.00 0.21 H new ATOM 0 HA LYS A 9 7.052 -4.385 -2.179 1.00 0.30 H new ATOM 0 HB2 LYS A 9 8.215 -6.111 -3.364 1.00 0.44 H new ATOM 0 HB3 LYS A 9 8.024 -6.560 -1.681 1.00 0.44 H new ATOM 0 HG2 LYS A 9 5.862 -7.845 -2.637 1.00 0.89 H new ATOM 0 HG3 LYS A 9 6.777 -7.785 -4.131 1.00 0.89 H new ATOM 0 HD2 LYS A 9 7.708 -9.004 -1.498 1.00 0.79 H new ATOM 0 HD3 LYS A 9 7.213 -9.886 -2.929 1.00 0.79 H new ATOM 0 HE2 LYS A 9 9.263 -9.675 -3.902 1.00 1.16 H new ATOM 0 HE3 LYS A 9 9.352 -7.962 -3.545 1.00 1.16 H new ATOM 0 HZ1 LYS A 9 11.074 -9.152 -2.395 1.00 1.98 H new ATOM 0 HZ2 LYS A 9 9.981 -8.516 -1.263 1.00 1.98 H new ATOM 0 HZ3 LYS A 9 9.939 -10.169 -1.646 1.00 1.98 H new ATOM 135 N VAL A 10 5.752 -3.881 -4.323 1.00 0.65 N ATOM 136 CA VAL A 10 4.863 -3.475 -5.403 1.00 0.87 C ATOM 137 C VAL A 10 5.676 -3.026 -6.622 1.00 1.21 C ATOM 138 O VAL A 10 6.080 -1.866 -6.715 1.00 2.42 O ATOM 139 CB VAL A 10 3.882 -2.386 -4.916 1.00 1.04 C ATOM 140 CG1 VAL A 10 2.665 -2.272 -5.839 1.00 2.83 C ATOM 141 CG2 VAL A 10 3.591 -2.363 -3.406 1.00 3.08 C ATOM 0 H VAL A 10 6.463 -3.185 -4.097 1.00 0.65 H new ATOM 0 HA VAL A 10 4.262 -4.330 -5.714 1.00 0.87 H new ATOM 0 HB VAL A 10 4.417 -1.441 -5.014 1.00 1.04 H new ATOM 0 HG11 VAL A 10 1.997 -1.496 -5.466 1.00 2.83 H new ATOM 0 HG12 VAL A 10 2.995 -2.013 -6.845 1.00 2.83 H new ATOM 0 HG13 VAL A 10 2.137 -3.225 -5.864 1.00 2.83 H new ATOM 0 HG21 VAL A 10 2.891 -1.558 -3.183 1.00 3.08 H new ATOM 0 HG22 VAL A 10 3.157 -3.316 -3.105 1.00 3.08 H new ATOM 0 HG23 VAL A 10 4.519 -2.198 -2.859 1.00 3.08 H new ATOM 151 N SER A 11 5.881 -3.936 -7.577 1.00 0.56 N ATOM 152 CA SER A 11 6.736 -3.756 -8.742 1.00 0.55 C ATOM 153 C SER A 11 6.134 -2.831 -9.810 1.00 0.48 C ATOM 154 O SER A 11 6.092 -3.190 -10.985 1.00 1.01 O ATOM 155 CB SER A 11 7.034 -5.149 -9.313 1.00 0.73 C ATOM 156 OG SER A 11 7.173 -6.076 -8.251 1.00 2.51 O ATOM 0 H SER A 11 5.436 -4.854 -7.555 1.00 0.56 H new ATOM 0 HA SER A 11 7.652 -3.255 -8.430 1.00 0.55 H new ATOM 0 HB2 SER A 11 6.229 -5.461 -9.979 1.00 0.73 H new ATOM 0 HB3 SER A 11 7.947 -5.122 -9.908 1.00 0.73 H new ATOM 0 HG SER A 11 8.077 -6.014 -7.879 1.00 2.51 H new ATOM 162 N GLY A 12 5.679 -1.637 -9.423 1.00 0.72 N ATOM 163 CA GLY A 12 5.144 -0.657 -10.358 1.00 0.57 C ATOM 164 C GLY A 12 4.929 0.718 -9.724 1.00 0.91 C ATOM 165 O GLY A 12 4.074 1.465 -10.194 1.00 2.13 O ATOM 0 H GLY A 12 5.673 -1.327 -8.451 1.00 0.72 H new ATOM 0 HA2 GLY A 12 5.826 -0.559 -11.203 1.00 0.57 H new ATOM 0 HA3 GLY A 12 4.196 -1.021 -10.754 1.00 0.57 H new ATOM 169 N MET A 13 5.674 1.052 -8.662 1.00 0.38 N ATOM 170 CA MET A 13 5.537 2.307 -7.935 1.00 0.41 C ATOM 171 C MET A 13 6.860 3.063 -8.033 1.00 0.54 C ATOM 172 O MET A 13 7.825 2.718 -7.354 1.00 0.71 O ATOM 173 CB MET A 13 5.150 2.004 -6.480 1.00 0.53 C ATOM 174 CG MET A 13 4.487 3.217 -5.814 1.00 1.64 C ATOM 175 SD MET A 13 4.481 3.203 -4.003 1.00 2.19 S ATOM 176 CE MET A 13 3.980 1.497 -3.681 1.00 2.09 C ATOM 0 H MET A 13 6.399 0.443 -8.283 1.00 0.38 H new ATOM 0 HA MET A 13 4.752 2.932 -8.361 1.00 0.41 H new ATOM 0 HB2 MET A 13 4.468 1.154 -6.452 1.00 0.53 H new ATOM 0 HB3 MET A 13 6.039 1.718 -5.917 1.00 0.53 H new ATOM 0 HG2 MET A 13 4.997 4.119 -6.152 1.00 1.64 H new ATOM 0 HG3 MET A 13 3.457 3.284 -6.163 1.00 1.64 H new ATOM 0 HE1 MET A 13 3.724 1.386 -2.627 1.00 2.09 H new ATOM 0 HE2 MET A 13 3.113 1.251 -4.294 1.00 2.09 H new ATOM 0 HE3 MET A 13 4.801 0.824 -3.927 1.00 2.09 H new ATOM 186 N ASP A 14 6.912 4.074 -8.900 1.00 0.54 N ATOM 187 CA ASP A 14 8.150 4.649 -9.421 1.00 0.68 C ATOM 188 C ASP A 14 8.203 6.183 -9.363 1.00 0.61 C ATOM 189 O ASP A 14 9.267 6.749 -9.613 1.00 0.66 O ATOM 190 CB ASP A 14 8.269 4.201 -10.880 1.00 0.82 C ATOM 191 CG ASP A 14 7.038 4.665 -11.646 1.00 0.82 C ATOM 192 OD1 ASP A 14 5.995 3.982 -11.554 1.00 1.81 O ATOM 193 OD2 ASP A 14 7.070 5.780 -12.189 1.00 1.62 O ATOM 0 H ASP A 14 6.075 4.526 -9.268 1.00 0.54 H new ATOM 0 HA ASP A 14 8.972 4.300 -8.796 1.00 0.68 H new ATOM 0 HB2 ASP A 14 9.170 4.618 -11.329 1.00 0.82 H new ATOM 0 HB3 ASP A 14 8.359 3.116 -10.934 1.00 0.82 H new ATOM 198 N CYS A 15 7.096 6.857 -9.024 1.00 0.54 N ATOM 199 CA CYS A 15 6.974 8.307 -9.079 1.00 0.50 C ATOM 200 C CYS A 15 6.293 8.781 -7.800 1.00 0.40 C ATOM 201 O CYS A 15 5.508 8.038 -7.211 1.00 0.39 O ATOM 202 CB CYS A 15 6.131 8.754 -10.288 1.00 0.53 C ATOM 203 SG CYS A 15 6.339 7.726 -11.773 1.00 0.70 S ATOM 0 H CYS A 15 6.247 6.394 -8.698 1.00 0.54 H new ATOM 0 HA CYS A 15 7.970 8.739 -9.179 1.00 0.50 H new ATOM 0 HB2 CYS A 15 5.079 8.750 -10.003 1.00 0.53 H new ATOM 0 HB3 CYS A 15 6.390 9.784 -10.535 1.00 0.53 H new ATOM 0 HG CYS A 15 7.285 6.858 -11.571 1.00 0.70 H new ATOM 208 N ALA A 16 6.520 10.038 -7.417 1.00 0.36 N ATOM 209 CA ALA A 16 5.847 10.632 -6.268 1.00 0.32 C ATOM 210 C ALA A 16 4.343 10.773 -6.526 1.00 0.24 C ATOM 211 O ALA A 16 3.534 10.616 -5.616 1.00 0.23 O ATOM 212 CB ALA A 16 6.471 11.993 -5.948 1.00 0.37 C ATOM 0 H ALA A 16 7.170 10.665 -7.891 1.00 0.36 H new ATOM 0 HA ALA A 16 5.976 9.973 -5.409 1.00 0.32 H new ATOM 0 HB1 ALA A 16 5.964 12.433 -5.089 1.00 0.37 H new ATOM 0 HB2 ALA A 16 7.529 11.863 -5.719 1.00 0.37 H new ATOM 0 HB3 ALA A 16 6.365 12.653 -6.809 1.00 0.37 H new ATOM 218 N ALA A 17 3.955 11.075 -7.769 1.00 0.24 N ATOM 219 CA ALA A 17 2.548 11.137 -8.145 1.00 0.23 C ATOM 220 C ALA A 17 1.893 9.773 -7.921 1.00 0.23 C ATOM 221 O ALA A 17 0.868 9.672 -7.245 1.00 0.25 O ATOM 222 CB ALA A 17 2.418 11.591 -9.602 1.00 0.30 C ATOM 0 H ALA A 17 4.602 11.280 -8.531 1.00 0.24 H new ATOM 0 HA ALA A 17 2.031 11.866 -7.520 1.00 0.23 H new ATOM 0 HB1 ALA A 17 1.364 11.635 -9.877 1.00 0.30 H new ATOM 0 HB2 ALA A 17 2.865 12.579 -9.717 1.00 0.30 H new ATOM 0 HB3 ALA A 17 2.933 10.883 -10.251 1.00 0.30 H new ATOM 228 N CYS A 18 2.513 8.725 -8.471 1.00 0.26 N ATOM 229 CA CYS A 18 2.115 7.342 -8.262 1.00 0.29 C ATOM 230 C CYS A 18 2.003 7.080 -6.758 1.00 0.25 C ATOM 231 O CYS A 18 0.952 6.656 -6.287 1.00 0.25 O ATOM 232 CB CYS A 18 3.113 6.393 -8.950 1.00 0.38 C ATOM 233 SG CYS A 18 3.278 6.819 -10.713 1.00 0.57 S ATOM 0 H CYS A 18 3.321 8.823 -9.085 1.00 0.26 H new ATOM 0 HA CYS A 18 1.140 7.154 -8.712 1.00 0.29 H new ATOM 0 HB2 CYS A 18 4.085 6.459 -8.460 1.00 0.38 H new ATOM 0 HB3 CYS A 18 2.774 5.362 -8.848 1.00 0.38 H new ATOM 0 HG CYS A 18 4.529 6.755 -11.060 1.00 0.57 H new ATOM 238 N ALA A 19 3.058 7.391 -5.999 1.00 0.26 N ATOM 239 CA ALA A 19 3.055 7.258 -4.550 1.00 0.28 C ATOM 240 C ALA A 19 1.821 7.915 -3.930 1.00 0.23 C ATOM 241 O ALA A 19 1.085 7.256 -3.206 1.00 0.24 O ATOM 242 CB ALA A 19 4.346 7.821 -3.957 1.00 0.32 C ATOM 0 H ALA A 19 3.937 7.742 -6.379 1.00 0.26 H new ATOM 0 HA ALA A 19 3.007 6.196 -4.308 1.00 0.28 H new ATOM 0 HB1 ALA A 19 4.326 7.713 -2.873 1.00 0.32 H new ATOM 0 HB2 ALA A 19 5.200 7.276 -4.360 1.00 0.32 H new ATOM 0 HB3 ALA A 19 4.435 8.876 -4.215 1.00 0.32 H new ATOM 248 N ARG A 20 1.552 9.190 -4.220 1.00 0.23 N ATOM 249 CA ARG A 20 0.381 9.867 -3.709 1.00 0.24 C ATOM 250 C ARG A 20 -0.913 9.151 -4.116 1.00 0.22 C ATOM 251 O ARG A 20 -1.870 9.088 -3.347 1.00 0.34 O ATOM 252 CB ARG A 20 0.397 11.316 -4.193 1.00 0.30 C ATOM 253 CG ARG A 20 1.135 12.249 -3.220 1.00 0.83 C ATOM 254 CD ARG A 20 0.258 13.438 -2.828 1.00 0.62 C ATOM 255 NE ARG A 20 -0.743 12.967 -1.865 1.00 1.87 N ATOM 256 CZ ARG A 20 -1.956 13.460 -1.618 1.00 2.97 C ATOM 257 NH1 ARG A 20 -2.398 14.552 -2.256 1.00 3.10 N ATOM 258 NH2 ARG A 20 -2.691 12.818 -0.708 1.00 4.37 N ATOM 0 H ARG A 20 2.143 9.771 -4.814 1.00 0.23 H new ATOM 0 HA ARG A 20 0.408 9.851 -2.619 1.00 0.24 H new ATOM 0 HB2 ARG A 20 0.875 11.364 -5.172 1.00 0.30 H new ATOM 0 HB3 ARG A 20 -0.628 11.665 -4.321 1.00 0.30 H new ATOM 0 HG2 ARG A 20 1.422 11.695 -2.327 1.00 0.83 H new ATOM 0 HG3 ARG A 20 2.055 12.608 -3.682 1.00 0.83 H new ATOM 0 HD2 ARG A 20 0.865 14.230 -2.390 1.00 0.62 H new ATOM 0 HD3 ARG A 20 -0.229 13.859 -3.708 1.00 0.62 H new ATOM 0 HE ARG A 20 -0.475 12.154 -1.311 1.00 1.87 H new ATOM 0 HH11 ARG A 20 -1.803 15.018 -2.942 1.00 3.10 H new ATOM 0 HH12 ARG A 20 -3.329 14.918 -2.056 1.00 3.10 H new ATOM 0 HH21 ARG A 20 -2.317 11.993 -0.240 1.00 4.37 H new ATOM 0 HH22 ARG A 20 -3.627 13.153 -0.480 1.00 4.37 H new ATOM 272 N LYS A 21 -0.966 8.609 -5.328 1.00 0.23 N ATOM 273 CA LYS A 21 -2.141 7.890 -5.784 1.00 0.31 C ATOM 274 C LYS A 21 -2.329 6.618 -4.951 1.00 0.25 C ATOM 275 O LYS A 21 -3.440 6.307 -4.525 1.00 0.29 O ATOM 276 CB LYS A 21 -1.995 7.623 -7.288 1.00 0.45 C ATOM 277 CG LYS A 21 -3.341 7.498 -8.017 1.00 1.23 C ATOM 278 CD LYS A 21 -3.165 7.878 -9.498 1.00 1.48 C ATOM 279 CE LYS A 21 -4.084 7.087 -10.438 1.00 2.56 C ATOM 280 NZ LYS A 21 -3.605 5.703 -10.641 1.00 4.00 N ATOM 0 H LYS A 21 -0.208 8.656 -6.009 1.00 0.23 H new ATOM 0 HA LYS A 21 -3.047 8.479 -5.642 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.419 8.431 -7.739 1.00 0.45 H new ATOM 0 HB3 LYS A 21 -1.425 6.706 -7.433 1.00 0.45 H new ATOM 0 HG2 LYS A 21 -3.717 6.478 -7.935 1.00 1.23 H new ATOM 0 HG3 LYS A 21 -4.081 8.148 -7.550 1.00 1.23 H new ATOM 0 HD2 LYS A 21 -3.362 8.943 -9.619 1.00 1.48 H new ATOM 0 HD3 LYS A 21 -2.128 7.711 -9.789 1.00 1.48 H new ATOM 0 HE2 LYS A 21 -5.093 7.065 -10.026 1.00 2.56 H new ATOM 0 HE3 LYS A 21 -4.144 7.595 -11.400 1.00 2.56 H new ATOM 0 HZ1 LYS A 21 -4.253 5.202 -11.282 1.00 4.00 H new ATOM 0 HZ2 LYS A 21 -2.652 5.723 -11.058 1.00 4.00 H new ATOM 0 HZ3 LYS A 21 -3.572 5.209 -9.726 1.00 4.00 H new ATOM 294 N VAL A 22 -1.236 5.894 -4.699 1.00 0.22 N ATOM 295 CA VAL A 22 -1.244 4.654 -3.938 1.00 0.23 C ATOM 296 C VAL A 22 -1.605 4.934 -2.482 1.00 0.22 C ATOM 297 O VAL A 22 -2.526 4.307 -1.951 1.00 0.25 O ATOM 298 CB VAL A 22 0.112 3.937 -4.071 1.00 0.26 C ATOM 299 CG1 VAL A 22 0.171 2.680 -3.202 1.00 0.30 C ATOM 300 CG2 VAL A 22 0.319 3.473 -5.514 1.00 0.42 C ATOM 0 H VAL A 22 -0.308 6.162 -5.026 1.00 0.22 H new ATOM 0 HA VAL A 22 -2.005 3.986 -4.342 1.00 0.23 H new ATOM 0 HB VAL A 22 0.876 4.650 -3.759 1.00 0.26 H new ATOM 0 HG11 VAL A 22 1.142 2.200 -3.322 1.00 0.30 H new ATOM 0 HG12 VAL A 22 0.027 2.953 -2.157 1.00 0.30 H new ATOM 0 HG13 VAL A 22 -0.615 1.989 -3.508 1.00 0.30 H new ATOM 0 HG21 VAL A 22 1.281 2.967 -5.599 1.00 0.42 H new ATOM 0 HG22 VAL A 22 -0.479 2.785 -5.793 1.00 0.42 H new ATOM 0 HG23 VAL A 22 0.303 4.336 -6.180 1.00 0.42 H new ATOM 310 N GLU A 23 -0.888 5.865 -1.831 1.00 0.21 N ATOM 311 CA GLU A 23 -1.139 6.200 -0.438 1.00 0.22 C ATOM 312 C GLU A 23 -2.623 6.519 -0.290 1.00 0.24 C ATOM 313 O GLU A 23 -3.246 6.114 0.679 1.00 0.24 O ATOM 314 CB GLU A 23 -0.243 7.343 0.112 1.00 0.33 C ATOM 315 CG GLU A 23 -0.794 8.709 -0.316 1.00 0.51 C ATOM 316 CD GLU A 23 -0.129 9.984 0.172 1.00 0.89 C ATOM 317 OE1 GLU A 23 0.983 9.896 0.726 1.00 1.44 O ATOM 318 OE2 GLU A 23 -0.783 11.042 -0.035 1.00 2.42 O ATOM 0 H GLU A 23 -0.129 6.396 -2.258 1.00 0.21 H new ATOM 0 HA GLU A 23 -0.870 5.338 0.173 1.00 0.22 H new ATOM 0 HB2 GLU A 23 -0.198 7.287 1.200 1.00 0.33 H new ATOM 0 HB3 GLU A 23 0.776 7.224 -0.256 1.00 0.33 H new ATOM 0 HG2 GLU A 23 -0.784 8.735 -1.406 1.00 0.51 H new ATOM 0 HG3 GLU A 23 -1.838 8.749 -0.005 1.00 0.51 H new ATOM 325 N ASN A 24 -3.187 7.251 -1.257 1.00 0.32 N ATOM 326 CA ASN A 24 -4.562 7.694 -1.201 1.00 0.32 C ATOM 327 C ASN A 24 -5.501 6.512 -1.357 1.00 0.32 C ATOM 328 O ASN A 24 -6.383 6.304 -0.526 1.00 0.38 O ATOM 329 CB ASN A 24 -4.832 8.717 -2.299 1.00 0.39 C ATOM 330 CG ASN A 24 -6.138 9.422 -1.997 1.00 1.43 C ATOM 331 OD1 ASN A 24 -7.222 8.871 -2.166 1.00 2.86 O ATOM 332 ND2 ASN A 24 -6.009 10.646 -1.501 1.00 1.56 N ATOM 0 H ASN A 24 -2.691 7.548 -2.098 1.00 0.32 H new ATOM 0 HA ASN A 24 -4.737 8.160 -0.231 1.00 0.32 H new ATOM 0 HB2 ASN A 24 -4.017 9.439 -2.352 1.00 0.39 H new ATOM 0 HB3 ASN A 24 -4.885 8.224 -3.270 1.00 0.39 H new ATOM 0 HD21 ASN A 24 -6.838 11.180 -1.238 1.00 1.56 H new ATOM 0 HD22 ASN A 24 -5.081 11.053 -1.383 1.00 1.56 H new ATOM 339 N ALA A 25 -5.294 5.748 -2.432 1.00 0.32 N ATOM 340 CA ALA A 25 -6.077 4.573 -2.773 1.00 0.36 C ATOM 341 C ALA A 25 -6.155 3.598 -1.600 1.00 0.32 C ATOM 342 O ALA A 25 -7.182 2.949 -1.408 1.00 0.37 O ATOM 343 CB ALA A 25 -5.474 3.920 -4.015 1.00 0.42 C ATOM 0 H ALA A 25 -4.553 5.942 -3.105 1.00 0.32 H new ATOM 0 HA ALA A 25 -7.102 4.871 -2.993 1.00 0.36 H new ATOM 0 HB1 ALA A 25 -6.055 3.036 -4.280 1.00 0.42 H new ATOM 0 HB2 ALA A 25 -5.492 4.628 -4.844 1.00 0.42 H new ATOM 0 HB3 ALA A 25 -4.444 3.629 -3.809 1.00 0.42 H new ATOM 349 N VAL A 26 -5.086 3.510 -0.805 1.00 0.25 N ATOM 350 CA VAL A 26 -5.095 2.731 0.423 1.00 0.24 C ATOM 351 C VAL A 26 -5.737 3.512 1.576 1.00 0.23 C ATOM 352 O VAL A 26 -6.658 3.011 2.215 1.00 0.26 O ATOM 353 CB VAL A 26 -3.679 2.203 0.702 1.00 0.32 C ATOM 354 CG1 VAL A 26 -3.519 1.656 2.118 1.00 2.02 C ATOM 355 CG2 VAL A 26 -3.403 1.108 -0.314 1.00 2.13 C ATOM 0 H VAL A 26 -4.199 3.975 -0.997 1.00 0.25 H new ATOM 0 HA VAL A 26 -5.732 1.853 0.312 1.00 0.24 H new ATOM 0 HB VAL A 26 -2.969 3.026 0.616 1.00 0.32 H new ATOM 0 HG11 VAL A 26 -2.499 1.298 2.257 1.00 2.02 H new ATOM 0 HG12 VAL A 26 -3.727 2.447 2.839 1.00 2.02 H new ATOM 0 HG13 VAL A 26 -4.217 0.833 2.271 1.00 2.02 H new ATOM 0 HG21 VAL A 26 -2.404 0.704 -0.151 1.00 2.13 H new ATOM 0 HG22 VAL A 26 -4.139 0.312 -0.200 1.00 2.13 H new ATOM 0 HG23 VAL A 26 -3.468 1.521 -1.321 1.00 2.13 H new ATOM 365 N ARG A 27 -5.280 4.732 1.858 1.00 0.23 N ATOM 366 CA ARG A 27 -5.739 5.522 2.999 1.00 0.25 C ATOM 367 C ARG A 27 -7.264 5.645 3.021 1.00 0.30 C ATOM 368 O ARG A 27 -7.877 5.591 4.084 1.00 0.35 O ATOM 369 CB ARG A 27 -5.065 6.900 2.993 1.00 0.25 C ATOM 370 CG ARG A 27 -5.509 7.753 4.187 1.00 0.33 C ATOM 371 CD ARG A 27 -4.633 9.004 4.311 1.00 0.40 C ATOM 372 NE ARG A 27 -5.113 9.867 5.401 1.00 0.62 N ATOM 373 CZ ARG A 27 -4.504 10.987 5.824 1.00 1.05 C ATOM 374 NH1 ARG A 27 -3.355 11.372 5.257 1.00 1.76 N ATOM 375 NH2 ARG A 27 -5.051 11.716 6.803 1.00 1.18 N ATOM 0 H ARG A 27 -4.573 5.204 1.294 1.00 0.23 H new ATOM 0 HA ARG A 27 -5.450 5.002 3.913 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -3.982 6.776 3.017 1.00 0.25 H new ATOM 0 HB3 ARG A 27 -5.306 7.419 2.065 1.00 0.25 H new ATOM 0 HG2 ARG A 27 -6.552 8.044 4.065 1.00 0.33 H new ATOM 0 HG3 ARG A 27 -5.446 7.166 5.103 1.00 0.33 H new ATOM 0 HD2 ARG A 27 -3.599 8.713 4.499 1.00 0.40 H new ATOM 0 HD3 ARG A 27 -4.643 9.556 3.371 1.00 0.40 H new ATOM 0 HE ARG A 27 -5.975 9.594 5.872 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -2.945 10.816 4.507 1.00 1.76 H new ATOM 0 HH12 ARG A 27 -2.889 12.222 5.575 1.00 1.76 H new ATOM 0 HH21 ARG A 27 -5.930 11.421 7.228 1.00 1.18 H new ATOM 0 HH22 ARG A 27 -4.589 12.567 7.125 1.00 1.18 H new ATOM 389 N GLN A 28 -7.876 5.806 1.847 1.00 0.33 N ATOM 390 CA GLN A 28 -9.317 5.932 1.709 1.00 0.40 C ATOM 391 C GLN A 28 -10.099 4.712 2.222 1.00 0.42 C ATOM 392 O GLN A 28 -11.312 4.822 2.376 1.00 0.49 O ATOM 393 CB GLN A 28 -9.703 6.353 0.286 1.00 0.51 C ATOM 394 CG GLN A 28 -9.420 5.233 -0.708 1.00 0.51 C ATOM 395 CD GLN A 28 -9.668 5.639 -2.158 1.00 0.65 C ATOM 396 OE1 GLN A 28 -10.427 4.983 -2.867 1.00 0.81 O ATOM 397 NE2 GLN A 28 -9.037 6.710 -2.637 1.00 0.74 N ATOM 0 H GLN A 28 -7.375 5.852 0.960 1.00 0.33 H new ATOM 0 HA GLN A 28 -9.625 6.739 2.374 1.00 0.40 H new ATOM 0 HB2 GLN A 28 -10.761 6.614 0.254 1.00 0.51 H new ATOM 0 HB3 GLN A 28 -9.145 7.246 0.003 1.00 0.51 H new ATOM 0 HG2 GLN A 28 -8.384 4.913 -0.599 1.00 0.51 H new ATOM 0 HG3 GLN A 28 -10.046 4.374 -0.466 1.00 0.51 H new ATOM 0 HE21 GLN A 28 -8.410 7.244 -2.035 1.00 0.74 H new ATOM 0 HE22 GLN A 28 -9.181 6.996 -3.605 1.00 0.74 H new ATOM 406 N LEU A 29 -9.461 3.548 2.424 1.00 0.39 N ATOM 407 CA LEU A 29 -10.169 2.325 2.773 1.00 0.44 C ATOM 408 C LEU A 29 -10.951 2.466 4.085 1.00 0.46 C ATOM 409 O LEU A 29 -12.177 2.517 4.052 1.00 0.52 O ATOM 410 CB LEU A 29 -9.182 1.150 2.808 1.00 0.42 C ATOM 411 CG LEU A 29 -8.630 0.803 1.413 1.00 0.43 C ATOM 412 CD1 LEU A 29 -7.496 -0.213 1.572 1.00 0.45 C ATOM 413 CD2 LEU A 29 -9.728 0.234 0.511 1.00 0.53 C ATOM 0 H LEU A 29 -8.450 3.437 2.349 1.00 0.39 H new ATOM 0 HA LEU A 29 -10.915 2.124 2.004 1.00 0.44 H new ATOM 0 HB2 LEU A 29 -8.354 1.395 3.473 1.00 0.42 H new ATOM 0 HB3 LEU A 29 -9.679 0.275 3.227 1.00 0.42 H new ATOM 0 HG LEU A 29 -8.254 1.711 0.942 1.00 0.43 H new ATOM 0 HD11 LEU A 29 -7.096 -0.468 0.591 1.00 0.45 H new ATOM 0 HD12 LEU A 29 -6.705 0.218 2.186 1.00 0.45 H new ATOM 0 HD13 LEU A 29 -7.879 -1.113 2.053 1.00 0.45 H new ATOM 0 HD21 LEU A 29 -9.309 -0.002 -0.467 1.00 0.53 H new ATOM 0 HD22 LEU A 29 -10.134 -0.672 0.960 1.00 0.53 H new ATOM 0 HD23 LEU A 29 -10.523 0.971 0.397 1.00 0.53 H new ATOM 425 N ALA A 30 -10.249 2.481 5.227 1.00 0.43 N ATOM 426 CA ALA A 30 -10.791 2.590 6.581 1.00 0.48 C ATOM 427 C ALA A 30 -9.718 2.215 7.606 1.00 0.45 C ATOM 428 O ALA A 30 -9.256 3.062 8.360 1.00 0.45 O ATOM 429 CB ALA A 30 -11.994 1.664 6.756 1.00 0.54 C ATOM 0 H ALA A 30 -9.231 2.413 5.226 1.00 0.43 H new ATOM 0 HA ALA A 30 -11.108 3.621 6.739 1.00 0.48 H new ATOM 0 HB1 ALA A 30 -12.383 1.760 7.770 1.00 0.54 H new ATOM 0 HB2 ALA A 30 -12.771 1.938 6.042 1.00 0.54 H new ATOM 0 HB3 ALA A 30 -11.688 0.633 6.581 1.00 0.54 H new ATOM 435 N GLY A 31 -9.344 0.928 7.630 1.00 0.44 N ATOM 436 CA GLY A 31 -8.386 0.339 8.563 1.00 0.43 C ATOM 437 C GLY A 31 -7.143 1.197 8.776 1.00 0.41 C ATOM 438 O GLY A 31 -6.673 1.389 9.895 1.00 0.48 O ATOM 0 H GLY A 31 -9.719 0.245 6.971 1.00 0.44 H new ATOM 0 HA2 GLY A 31 -8.877 0.178 9.523 1.00 0.43 H new ATOM 0 HA3 GLY A 31 -8.083 -0.640 8.192 1.00 0.43 H new ATOM 442 N VAL A 32 -6.539 1.580 7.653 1.00 0.36 N ATOM 443 CA VAL A 32 -5.226 2.171 7.595 1.00 0.32 C ATOM 444 C VAL A 32 -5.198 3.541 8.267 1.00 0.38 C ATOM 445 O VAL A 32 -5.963 4.432 7.906 1.00 0.47 O ATOM 446 CB VAL A 32 -4.697 2.144 6.159 1.00 0.34 C ATOM 447 CG1 VAL A 32 -5.756 2.316 5.081 1.00 0.43 C ATOM 448 CG2 VAL A 32 -3.626 3.204 5.950 1.00 0.37 C ATOM 0 H VAL A 32 -6.973 1.480 6.735 1.00 0.36 H new ATOM 0 HA VAL A 32 -4.528 1.571 8.179 1.00 0.32 H new ATOM 0 HB VAL A 32 -4.287 1.140 6.047 1.00 0.34 H new ATOM 0 HG11 VAL A 32 -5.284 2.283 4.099 1.00 0.43 H new ATOM 0 HG12 VAL A 32 -6.488 1.512 5.159 1.00 0.43 H new ATOM 0 HG13 VAL A 32 -6.255 3.276 5.212 1.00 0.43 H new ATOM 0 HG21 VAL A 32 -3.268 3.162 4.921 1.00 0.37 H new ATOM 0 HG22 VAL A 32 -4.046 4.190 6.148 1.00 0.37 H new ATOM 0 HG23 VAL A 32 -2.795 3.021 6.631 1.00 0.37 H new ATOM 458 N ASN A 33 -4.280 3.697 9.223 1.00 0.36 N ATOM 459 CA ASN A 33 -4.130 4.905 10.018 1.00 0.44 C ATOM 460 C ASN A 33 -2.998 5.753 9.457 1.00 0.38 C ATOM 461 O ASN A 33 -3.204 6.932 9.175 1.00 0.46 O ATOM 462 CB ASN A 33 -3.881 4.523 11.479 1.00 0.54 C ATOM 463 CG ASN A 33 -5.157 3.950 12.088 1.00 0.94 C ATOM 464 OD1 ASN A 33 -6.222 4.551 11.988 1.00 1.28 O ATOM 465 ND2 ASN A 33 -5.086 2.787 12.717 1.00 1.22 N ATOM 0 H ASN A 33 -3.609 2.969 9.467 1.00 0.36 H new ATOM 0 HA ASN A 33 -5.043 5.499 9.974 1.00 0.44 H new ATOM 0 HB2 ASN A 33 -3.077 3.790 11.541 1.00 0.54 H new ATOM 0 HB3 ASN A 33 -3.559 5.398 12.043 1.00 0.54 H new ATOM 0 HD21 ASN A 33 -5.925 2.377 13.128 1.00 1.22 H new ATOM 0 HD22 ASN A 33 -4.192 2.301 12.791 1.00 1.22 H new ATOM 472 N GLN A 34 -1.814 5.156 9.268 1.00 0.33 N ATOM 473 CA GLN A 34 -0.701 5.817 8.596 1.00 0.38 C ATOM 474 C GLN A 34 -0.289 4.971 7.394 1.00 0.34 C ATOM 475 O GLN A 34 -0.245 3.743 7.462 1.00 0.46 O ATOM 476 CB GLN A 34 0.447 6.099 9.581 1.00 0.47 C ATOM 477 CG GLN A 34 1.640 6.840 8.960 1.00 0.54 C ATOM 478 CD GLN A 34 1.251 8.221 8.439 1.00 1.04 C ATOM 479 OE1 GLN A 34 0.774 9.066 9.189 1.00 1.10 O ATOM 480 NE2 GLN A 34 1.426 8.472 7.144 1.00 2.86 N ATOM 0 H GLN A 34 -1.607 4.206 9.577 1.00 0.33 H new ATOM 0 HA GLN A 34 -1.001 6.796 8.224 1.00 0.38 H new ATOM 0 HB2 GLN A 34 0.061 6.688 10.413 1.00 0.47 H new ATOM 0 HB3 GLN A 34 0.796 5.153 9.995 1.00 0.47 H new ATOM 0 HG2 GLN A 34 2.429 6.943 9.705 1.00 0.54 H new ATOM 0 HG3 GLN A 34 2.049 6.247 8.142 1.00 0.54 H new ATOM 0 HE21 GLN A 34 1.824 7.757 6.535 1.00 2.86 H new ATOM 0 HE22 GLN A 34 1.162 9.379 6.760 1.00 2.86 H new ATOM 489 N VAL A 35 -0.027 5.654 6.280 1.00 0.33 N ATOM 490 CA VAL A 35 0.451 5.099 5.035 1.00 0.36 C ATOM 491 C VAL A 35 1.917 5.491 4.894 1.00 0.27 C ATOM 492 O VAL A 35 2.283 6.614 5.244 1.00 0.37 O ATOM 493 CB VAL A 35 -0.370 5.675 3.866 1.00 0.63 C ATOM 494 CG1 VAL A 35 -1.673 4.896 3.697 1.00 1.65 C ATOM 495 CG2 VAL A 35 -0.702 7.172 4.002 1.00 2.26 C ATOM 0 H VAL A 35 -0.153 6.665 6.230 1.00 0.33 H new ATOM 0 HA VAL A 35 0.346 4.014 5.024 1.00 0.36 H new ATOM 0 HB VAL A 35 0.268 5.570 2.989 1.00 0.63 H new ATOM 0 HG11 VAL A 35 -2.242 5.315 2.867 1.00 1.65 H new ATOM 0 HG12 VAL A 35 -1.447 3.850 3.491 1.00 1.65 H new ATOM 0 HG13 VAL A 35 -2.261 4.967 4.612 1.00 1.65 H new ATOM 0 HG21 VAL A 35 -1.281 7.496 3.137 1.00 2.26 H new ATOM 0 HG22 VAL A 35 -1.283 7.335 4.910 1.00 2.26 H new ATOM 0 HG23 VAL A 35 0.223 7.746 4.055 1.00 2.26 H new ATOM 505 N GLN A 36 2.755 4.592 4.377 1.00 0.23 N ATOM 506 CA GLN A 36 4.130 4.912 4.044 1.00 0.25 C ATOM 507 C GLN A 36 4.480 4.150 2.770 1.00 0.26 C ATOM 508 O GLN A 36 5.009 3.039 2.837 1.00 0.30 O ATOM 509 CB GLN A 36 5.025 4.552 5.238 1.00 0.27 C ATOM 510 CG GLN A 36 6.478 4.986 5.014 1.00 0.37 C ATOM 511 CD GLN A 36 7.375 4.563 6.168 1.00 0.70 C ATOM 512 OE1 GLN A 36 8.031 5.384 6.798 1.00 1.83 O ATOM 513 NE2 GLN A 36 7.417 3.267 6.454 1.00 0.46 N ATOM 0 H GLN A 36 2.494 3.626 4.180 1.00 0.23 H new ATOM 0 HA GLN A 36 4.281 5.974 3.852 1.00 0.25 H new ATOM 0 HB2 GLN A 36 4.638 5.029 6.139 1.00 0.27 H new ATOM 0 HB3 GLN A 36 4.989 3.476 5.407 1.00 0.27 H new ATOM 0 HG2 GLN A 36 6.849 4.551 4.086 1.00 0.37 H new ATOM 0 HG3 GLN A 36 6.521 6.069 4.898 1.00 0.37 H new ATOM 0 HE21 GLN A 36 6.860 2.607 5.912 1.00 0.46 H new ATOM 0 HE22 GLN A 36 8.007 2.932 7.216 1.00 0.46 H new ATOM 522 N VAL A 37 4.164 4.730 1.605 1.00 0.24 N ATOM 523 CA VAL A 37 4.403 4.068 0.334 1.00 0.24 C ATOM 524 C VAL A 37 5.730 4.571 -0.250 1.00 0.32 C ATOM 525 O VAL A 37 5.831 5.709 -0.706 1.00 0.51 O ATOM 526 CB VAL A 37 3.163 4.189 -0.569 1.00 0.48 C ATOM 527 CG1 VAL A 37 1.888 3.885 0.232 1.00 1.75 C ATOM 528 CG2 VAL A 37 2.997 5.547 -1.245 1.00 1.23 C ATOM 0 H VAL A 37 3.743 5.656 1.525 1.00 0.24 H new ATOM 0 HA VAL A 37 4.535 2.992 0.450 1.00 0.24 H new ATOM 0 HB VAL A 37 3.321 3.458 -1.362 1.00 0.48 H new ATOM 0 HG11 VAL A 37 1.019 3.974 -0.420 1.00 1.75 H new ATOM 0 HG12 VAL A 37 1.941 2.871 0.629 1.00 1.75 H new ATOM 0 HG13 VAL A 37 1.798 4.593 1.056 1.00 1.75 H new ATOM 0 HG21 VAL A 37 2.098 5.539 -1.861 1.00 1.23 H new ATOM 0 HG22 VAL A 37 2.910 6.324 -0.485 1.00 1.23 H new ATOM 0 HG23 VAL A 37 3.865 5.749 -1.873 1.00 1.23 H new ATOM 538 N LEU A 38 6.778 3.743 -0.181 1.00 0.27 N ATOM 539 CA LEU A 38 8.120 4.103 -0.585 1.00 0.29 C ATOM 540 C LEU A 38 8.344 3.557 -1.993 1.00 0.28 C ATOM 541 O LEU A 38 8.873 2.461 -2.204 1.00 0.28 O ATOM 542 CB LEU A 38 9.131 3.583 0.444 1.00 0.33 C ATOM 543 CG LEU A 38 10.560 4.034 0.120 1.00 0.38 C ATOM 544 CD1 LEU A 38 10.754 5.551 0.238 1.00 0.51 C ATOM 545 CD2 LEU A 38 11.541 3.323 1.056 1.00 0.46 C ATOM 0 H LEU A 38 6.704 2.787 0.166 1.00 0.27 H new ATOM 0 HA LEU A 38 8.259 5.184 -0.617 1.00 0.29 H new ATOM 0 HB2 LEU A 38 8.854 3.939 1.437 1.00 0.33 H new ATOM 0 HB3 LEU A 38 9.092 2.494 0.473 1.00 0.33 H new ATOM 0 HG LEU A 38 10.751 3.768 -0.920 1.00 0.38 H new ATOM 0 HD11 LEU A 38 11.786 5.806 -0.004 1.00 0.51 H new ATOM 0 HD12 LEU A 38 10.083 6.059 -0.455 1.00 0.51 H new ATOM 0 HD13 LEU A 38 10.531 5.868 1.257 1.00 0.51 H new ATOM 0 HD21 LEU A 38 12.558 3.642 0.828 1.00 0.46 H new ATOM 0 HD22 LEU A 38 11.305 3.575 2.090 1.00 0.46 H new ATOM 0 HD23 LEU A 38 11.459 2.245 0.918 1.00 0.46 H new ATOM 557 N PHE A 39 7.904 4.365 -2.955 1.00 0.30 N ATOM 558 CA PHE A 39 8.136 4.147 -4.368 1.00 0.32 C ATOM 559 C PHE A 39 9.640 4.106 -4.662 1.00 0.34 C ATOM 560 O PHE A 39 10.450 4.499 -3.823 1.00 0.34 O ATOM 561 CB PHE A 39 7.431 5.258 -5.149 1.00 0.41 C ATOM 562 CG PHE A 39 8.149 6.589 -5.173 1.00 0.33 C ATOM 563 CD1 PHE A 39 7.886 7.574 -4.204 1.00 1.86 C ATOM 564 CD2 PHE A 39 9.010 6.878 -6.247 1.00 1.75 C ATOM 565 CE1 PHE A 39 8.359 8.883 -4.397 1.00 1.96 C ATOM 566 CE2 PHE A 39 9.460 8.188 -6.455 1.00 1.75 C ATOM 567 CZ PHE A 39 9.092 9.198 -5.555 1.00 0.67 C ATOM 0 H PHE A 39 7.364 5.208 -2.761 1.00 0.30 H new ATOM 0 HA PHE A 39 7.728 3.185 -4.678 1.00 0.32 H new ATOM 0 HB2 PHE A 39 7.288 4.923 -6.176 1.00 0.41 H new ATOM 0 HB3 PHE A 39 6.439 5.407 -4.721 1.00 0.41 H new ATOM 0 HD1 PHE A 39 7.323 7.326 -3.316 1.00 1.86 H new ATOM 0 HD2 PHE A 39 9.325 6.088 -6.913 1.00 1.75 H new ATOM 0 HE1 PHE A 39 8.160 9.645 -3.658 1.00 1.96 H new ATOM 0 HE2 PHE A 39 10.087 8.419 -7.304 1.00 1.75 H new ATOM 0 HZ PHE A 39 9.373 10.222 -5.752 1.00 0.67 H new ATOM 577 N ALA A 40 10.014 3.620 -5.850 1.00 0.38 N ATOM 578 CA ALA A 40 11.389 3.454 -6.318 1.00 0.39 C ATOM 579 C ALA A 40 12.080 2.304 -5.580 1.00 0.37 C ATOM 580 O ALA A 40 12.547 1.358 -6.207 1.00 0.53 O ATOM 581 CB ALA A 40 12.182 4.767 -6.267 1.00 0.45 C ATOM 0 H ALA A 40 9.330 3.317 -6.544 1.00 0.38 H new ATOM 0 HA ALA A 40 11.354 3.179 -7.372 1.00 0.39 H new ATOM 0 HB1 ALA A 40 13.197 4.593 -6.624 1.00 0.45 H new ATOM 0 HB2 ALA A 40 11.697 5.510 -6.900 1.00 0.45 H new ATOM 0 HB3 ALA A 40 12.216 5.132 -5.240 1.00 0.45 H new ATOM 587 N THR A 41 12.088 2.343 -4.246 1.00 0.34 N ATOM 588 CA THR A 41 12.511 1.238 -3.394 1.00 0.33 C ATOM 589 C THR A 41 11.532 0.051 -3.456 1.00 0.40 C ATOM 590 O THR A 41 11.809 -0.996 -2.877 1.00 0.89 O ATOM 591 CB THR A 41 12.662 1.765 -1.960 1.00 0.43 C ATOM 592 OG1 THR A 41 13.160 3.090 -1.991 1.00 0.93 O ATOM 593 CG2 THR A 41 13.614 0.917 -1.110 1.00 0.82 C ATOM 0 H THR A 41 11.793 3.165 -3.719 1.00 0.34 H new ATOM 0 HA THR A 41 13.467 0.856 -3.752 1.00 0.33 H new ATOM 0 HB THR A 41 11.672 1.721 -1.506 1.00 0.43 H new ATOM 0 HG1 THR A 41 13.551 3.313 -1.121 1.00 0.93 H new ATOM 0 HG21 THR A 41 13.680 1.339 -0.107 1.00 0.82 H new ATOM 0 HG22 THR A 41 13.237 -0.104 -1.050 1.00 0.82 H new ATOM 0 HG23 THR A 41 14.603 0.912 -1.567 1.00 0.82 H new ATOM 601 N GLU A 42 10.396 0.207 -4.147 1.00 0.37 N ATOM 602 CA GLU A 42 9.489 -0.872 -4.516 1.00 0.42 C ATOM 603 C GLU A 42 8.725 -1.431 -3.310 1.00 0.36 C ATOM 604 O GLU A 42 8.361 -2.608 -3.319 1.00 0.51 O ATOM 605 CB GLU A 42 10.253 -1.982 -5.269 1.00 0.66 C ATOM 606 CG GLU A 42 9.337 -2.800 -6.192 1.00 1.29 C ATOM 607 CD GLU A 42 9.927 -4.159 -6.556 1.00 2.42 C ATOM 608 OE1 GLU A 42 11.169 -4.254 -6.624 1.00 2.96 O ATOM 609 OE2 GLU A 42 9.111 -5.086 -6.765 1.00 3.84 O ATOM 0 H GLU A 42 10.078 1.120 -4.472 1.00 0.37 H new ATOM 0 HA GLU A 42 8.737 -0.455 -5.186 1.00 0.42 H new ATOM 0 HB2 GLU A 42 11.052 -1.533 -5.859 1.00 0.66 H new ATOM 0 HB3 GLU A 42 10.725 -2.648 -4.547 1.00 0.66 H new ATOM 0 HG2 GLU A 42 8.374 -2.946 -5.704 1.00 1.29 H new ATOM 0 HG3 GLU A 42 9.149 -2.234 -7.105 1.00 1.29 H new ATOM 616 N LYS A 43 8.427 -0.626 -2.277 1.00 0.24 N ATOM 617 CA LYS A 43 7.671 -1.165 -1.155 1.00 0.30 C ATOM 618 C LYS A 43 6.700 -0.179 -0.548 1.00 0.28 C ATOM 619 O LYS A 43 6.913 1.030 -0.561 1.00 0.41 O ATOM 620 CB LYS A 43 8.588 -1.821 -0.115 1.00 0.48 C ATOM 621 CG LYS A 43 9.338 -0.891 0.841 1.00 0.96 C ATOM 622 CD LYS A 43 8.459 -0.336 1.971 1.00 0.70 C ATOM 623 CE LYS A 43 9.244 -0.226 3.283 1.00 1.22 C ATOM 624 NZ LYS A 43 9.441 -1.553 3.907 1.00 2.22 N ATOM 0 H LYS A 43 8.688 0.357 -2.202 1.00 0.24 H new ATOM 0 HA LYS A 43 7.041 -1.955 -1.565 1.00 0.30 H new ATOM 0 HB2 LYS A 43 7.986 -2.506 0.482 1.00 0.48 H new ATOM 0 HB3 LYS A 43 9.324 -2.424 -0.646 1.00 0.48 H new ATOM 0 HG2 LYS A 43 10.178 -1.432 1.277 1.00 0.96 H new ATOM 0 HG3 LYS A 43 9.755 -0.059 0.274 1.00 0.96 H new ATOM 0 HD2 LYS A 43 8.077 0.645 1.689 1.00 0.70 H new ATOM 0 HD3 LYS A 43 7.595 -0.985 2.115 1.00 0.70 H new ATOM 0 HE2 LYS A 43 10.213 0.235 3.091 1.00 1.22 H new ATOM 0 HE3 LYS A 43 8.711 0.427 3.974 1.00 1.22 H new ATOM 0 HZ1 LYS A 43 9.757 -1.431 4.890 1.00 2.22 H new ATOM 0 HZ2 LYS A 43 8.544 -2.079 3.895 1.00 2.22 H new ATOM 0 HZ3 LYS A 43 10.160 -2.083 3.375 1.00 2.22 H new ATOM 638 N LEU A 44 5.640 -0.728 0.032 1.00 0.20 N ATOM 639 CA LEU A 44 4.656 -0.014 0.794 1.00 0.18 C ATOM 640 C LEU A 44 4.633 -0.668 2.170 1.00 0.17 C ATOM 641 O LEU A 44 4.951 -1.850 2.295 1.00 0.30 O ATOM 642 CB LEU A 44 3.349 -0.032 -0.014 1.00 0.25 C ATOM 643 CG LEU A 44 2.149 -0.746 0.559 1.00 0.53 C ATOM 644 CD1 LEU A 44 1.666 -0.045 1.816 1.00 0.85 C ATOM 645 CD2 LEU A 44 1.029 -0.772 -0.465 1.00 0.65 C ATOM 0 H LEU A 44 5.446 -1.728 -0.026 1.00 0.20 H new ATOM 0 HA LEU A 44 4.858 1.043 0.967 1.00 0.18 H new ATOM 0 HB2 LEU A 44 3.060 1.003 -0.198 1.00 0.25 H new ATOM 0 HB3 LEU A 44 3.567 -0.479 -0.984 1.00 0.25 H new ATOM 0 HG LEU A 44 2.439 -1.766 0.811 1.00 0.53 H new ATOM 0 HD11 LEU A 44 0.800 -0.572 2.217 1.00 0.85 H new ATOM 0 HD12 LEU A 44 2.464 -0.040 2.559 1.00 0.85 H new ATOM 0 HD13 LEU A 44 1.387 0.981 1.576 1.00 0.85 H new ATOM 0 HD21 LEU A 44 0.165 -1.288 -0.046 1.00 0.65 H new ATOM 0 HD22 LEU A 44 0.750 0.249 -0.725 1.00 0.65 H new ATOM 0 HD23 LEU A 44 1.366 -1.295 -1.360 1.00 0.65 H new ATOM 657 N VAL A 45 4.333 0.135 3.186 1.00 0.18 N ATOM 658 CA VAL A 45 4.174 -0.155 4.582 1.00 0.17 C ATOM 659 C VAL A 45 2.894 0.580 4.951 1.00 0.17 C ATOM 660 O VAL A 45 2.673 1.704 4.488 1.00 0.21 O ATOM 661 CB VAL A 45 5.377 0.394 5.366 1.00 0.21 C ATOM 662 CG1 VAL A 45 5.002 0.766 6.802 1.00 0.23 C ATOM 663 CG2 VAL A 45 6.493 -0.641 5.418 1.00 0.35 C ATOM 0 H VAL A 45 4.179 1.128 3.012 1.00 0.18 H new ATOM 0 HA VAL A 45 4.121 -1.220 4.807 1.00 0.17 H new ATOM 0 HB VAL A 45 5.710 1.291 4.843 1.00 0.21 H new ATOM 0 HG11 VAL A 45 5.881 1.149 7.320 1.00 0.23 H new ATOM 0 HG12 VAL A 45 4.226 1.531 6.789 1.00 0.23 H new ATOM 0 HG13 VAL A 45 4.631 -0.117 7.322 1.00 0.23 H new ATOM 0 HG21 VAL A 45 7.338 -0.238 5.976 1.00 0.35 H new ATOM 0 HG22 VAL A 45 6.130 -1.543 5.911 1.00 0.35 H new ATOM 0 HG23 VAL A 45 6.811 -0.884 4.404 1.00 0.35 H new ATOM 673 N VAL A 46 2.062 -0.069 5.756 1.00 0.22 N ATOM 674 CA VAL A 46 0.849 0.502 6.298 1.00 0.24 C ATOM 675 C VAL A 46 0.869 0.226 7.787 1.00 0.28 C ATOM 676 O VAL A 46 1.268 -0.869 8.190 1.00 0.46 O ATOM 677 CB VAL A 46 -0.365 -0.165 5.642 1.00 0.35 C ATOM 678 CG1 VAL A 46 -1.657 0.164 6.385 1.00 0.73 C ATOM 679 CG2 VAL A 46 -0.512 0.295 4.194 1.00 0.30 C ATOM 0 H VAL A 46 2.222 -1.031 6.054 1.00 0.22 H new ATOM 0 HA VAL A 46 0.786 1.573 6.107 1.00 0.24 H new ATOM 0 HB VAL A 46 -0.195 -1.241 5.680 1.00 0.35 H new ATOM 0 HG11 VAL A 46 -2.496 -0.326 5.891 1.00 0.73 H new ATOM 0 HG12 VAL A 46 -1.585 -0.189 7.414 1.00 0.73 H new ATOM 0 HG13 VAL A 46 -1.814 1.243 6.382 1.00 0.73 H new ATOM 0 HG21 VAL A 46 -1.379 -0.189 3.745 1.00 0.30 H new ATOM 0 HG22 VAL A 46 -0.646 1.376 4.168 1.00 0.30 H new ATOM 0 HG23 VAL A 46 0.384 0.027 3.634 1.00 0.30 H new ATOM 689 N ASP A 47 0.417 1.203 8.568 1.00 0.19 N ATOM 690 CA ASP A 47 0.169 1.076 9.983 1.00 0.23 C ATOM 691 C ASP A 47 -1.345 1.154 10.115 1.00 0.22 C ATOM 692 O ASP A 47 -1.949 2.185 9.796 1.00 0.32 O ATOM 693 CB ASP A 47 0.865 2.217 10.713 1.00 0.32 C ATOM 694 CG ASP A 47 2.379 2.147 10.570 1.00 0.96 C ATOM 695 OD1 ASP A 47 2.958 1.181 11.114 1.00 1.60 O ATOM 696 OD2 ASP A 47 2.933 3.049 9.904 1.00 2.14 O ATOM 0 H ASP A 47 0.209 2.135 8.210 1.00 0.19 H new ATOM 0 HA ASP A 47 0.550 0.151 10.415 1.00 0.23 H new ATOM 0 HB2 ASP A 47 0.508 3.169 10.321 1.00 0.32 H new ATOM 0 HB3 ASP A 47 0.599 2.187 11.770 1.00 0.32 H new ATOM 701 N ALA A 48 -1.960 0.039 10.503 1.00 0.29 N ATOM 702 CA ALA A 48 -3.394 -0.066 10.688 1.00 0.38 C ATOM 703 C ALA A 48 -3.625 -0.743 12.028 1.00 0.57 C ATOM 704 O ALA A 48 -2.882 -1.653 12.402 1.00 0.92 O ATOM 705 CB ALA A 48 -4.008 -0.880 9.549 1.00 0.43 C ATOM 0 H ALA A 48 -1.461 -0.829 10.700 1.00 0.29 H new ATOM 0 HA ALA A 48 -3.866 0.916 10.678 1.00 0.38 H new ATOM 0 HB1 ALA A 48 -5.086 -0.955 9.695 1.00 0.43 H new ATOM 0 HB2 ALA A 48 -3.804 -0.387 8.598 1.00 0.43 H new ATOM 0 HB3 ALA A 48 -3.573 -1.879 9.540 1.00 0.43 H new ATOM 711 N ASP A 49 -4.657 -0.314 12.746 1.00 0.48 N ATOM 712 CA ASP A 49 -4.897 -0.755 14.118 1.00 0.69 C ATOM 713 C ASP A 49 -6.149 -1.619 14.097 1.00 0.73 C ATOM 714 O ASP A 49 -7.123 -1.375 14.803 1.00 0.76 O ATOM 715 CB ASP A 49 -5.010 0.455 15.060 1.00 0.81 C ATOM 716 CG ASP A 49 -3.711 1.250 15.179 1.00 1.57 C ATOM 717 OD1 ASP A 49 -3.165 1.635 14.118 1.00 2.79 O ATOM 718 OD2 ASP A 49 -3.279 1.460 16.331 1.00 2.10 O ATOM 0 H ASP A 49 -5.350 0.348 12.396 1.00 0.48 H new ATOM 0 HA ASP A 49 -4.066 -1.346 14.504 1.00 0.69 H new ATOM 0 HB2 ASP A 49 -5.800 1.114 14.700 1.00 0.81 H new ATOM 0 HB3 ASP A 49 -5.309 0.110 16.050 1.00 0.81 H new ATOM 723 N ASN A 50 -6.095 -2.627 13.226 1.00 0.85 N ATOM 724 CA ASN A 50 -7.183 -3.441 12.710 1.00 0.76 C ATOM 725 C ASN A 50 -6.614 -3.997 11.402 1.00 0.93 C ATOM 726 O ASN A 50 -5.404 -3.876 11.169 1.00 2.22 O ATOM 727 CB ASN A 50 -8.486 -2.641 12.509 1.00 0.91 C ATOM 728 CG ASN A 50 -8.304 -1.283 11.833 1.00 2.32 C ATOM 729 OD1 ASN A 50 -9.140 -0.403 11.993 1.00 2.99 O ATOM 730 ND2 ASN A 50 -7.219 -1.072 11.087 1.00 3.50 N ATOM 0 H ASN A 50 -5.201 -2.917 12.830 1.00 0.85 H new ATOM 0 HA ASN A 50 -7.485 -4.227 13.402 1.00 0.76 H new ATOM 0 HB2 ASN A 50 -9.175 -3.239 11.913 1.00 0.91 H new ATOM 0 HB3 ASN A 50 -8.956 -2.488 13.481 1.00 0.91 H new ATOM 0 HD21 ASN A 50 -7.076 -0.167 10.640 1.00 3.50 H new ATOM 0 HD22 ASN A 50 -6.532 -1.816 10.964 1.00 3.50 H new ATOM 737 N ASP A 51 -7.445 -4.568 10.533 1.00 0.45 N ATOM 738 CA ASP A 51 -6.929 -5.476 9.529 1.00 0.48 C ATOM 739 C ASP A 51 -7.481 -5.199 8.146 1.00 0.50 C ATOM 740 O ASP A 51 -8.695 -5.209 7.936 1.00 0.80 O ATOM 741 CB ASP A 51 -7.309 -6.875 9.952 1.00 0.74 C ATOM 742 CG ASP A 51 -6.474 -7.914 9.209 1.00 0.97 C ATOM 743 OD1 ASP A 51 -5.533 -7.519 8.477 1.00 2.18 O ATOM 744 OD2 ASP A 51 -6.687 -9.120 9.436 1.00 1.97 O ATOM 0 H ASP A 51 -8.454 -4.419 10.507 1.00 0.45 H new ATOM 0 HA ASP A 51 -5.849 -5.346 9.462 1.00 0.48 H new ATOM 0 HB2 ASP A 51 -7.164 -6.987 11.026 1.00 0.74 H new ATOM 0 HB3 ASP A 51 -8.367 -7.044 9.754 1.00 0.74 H new ATOM 749 N ILE A 52 -6.572 -4.925 7.215 1.00 0.55 N ATOM 750 CA ILE A 52 -6.923 -4.432 5.906 1.00 0.52 C ATOM 751 C ILE A 52 -5.931 -4.832 4.832 1.00 0.48 C ATOM 752 O ILE A 52 -6.014 -4.305 3.735 1.00 0.38 O ATOM 753 CB ILE A 52 -7.063 -2.906 5.958 1.00 0.53 C ATOM 754 CG1 ILE A 52 -5.897 -2.211 6.672 1.00 0.54 C ATOM 755 CG2 ILE A 52 -8.337 -2.517 6.682 1.00 0.65 C ATOM 756 CD1 ILE A 52 -4.683 -2.096 5.774 1.00 0.60 C ATOM 0 H ILE A 52 -5.569 -5.042 7.357 1.00 0.55 H new ATOM 0 HA ILE A 52 -7.873 -4.891 5.632 1.00 0.52 H new ATOM 0 HB ILE A 52 -7.076 -2.579 4.918 1.00 0.53 H new ATOM 0 HG12 ILE A 52 -6.207 -1.217 6.994 1.00 0.54 H new ATOM 0 HG13 ILE A 52 -5.634 -2.770 7.570 1.00 0.54 H new ATOM 0 HG21 ILE A 52 -8.422 -1.431 6.711 1.00 0.65 H new ATOM 0 HG22 ILE A 52 -9.196 -2.934 6.157 1.00 0.65 H new ATOM 0 HG23 ILE A 52 -8.310 -2.906 7.700 1.00 0.65 H new ATOM 0 HD11 ILE A 52 -3.877 -1.599 6.314 1.00 0.60 H new ATOM 0 HD12 ILE A 52 -4.358 -3.092 5.473 1.00 0.60 H new ATOM 0 HD13 ILE A 52 -4.939 -1.515 4.888 1.00 0.60 H new ATOM 768 N ARG A 53 -4.953 -5.694 5.102 1.00 0.65 N ATOM 769 CA ARG A 53 -3.854 -5.823 4.145 1.00 0.47 C ATOM 770 C ARG A 53 -4.379 -6.387 2.829 1.00 0.36 C ATOM 771 O ARG A 53 -3.999 -5.935 1.756 1.00 0.32 O ATOM 772 CB ARG A 53 -2.731 -6.717 4.652 1.00 0.54 C ATOM 773 CG ARG A 53 -2.319 -6.476 6.106 1.00 0.99 C ATOM 774 CD ARG A 53 -1.545 -7.693 6.613 1.00 1.16 C ATOM 775 NE ARG A 53 -2.285 -8.291 7.741 1.00 1.41 N ATOM 776 CZ ARG A 53 -2.923 -9.471 7.740 1.00 1.64 C ATOM 777 NH1 ARG A 53 -2.535 -10.463 6.931 1.00 1.95 N ATOM 778 NH2 ARG A 53 -3.969 -9.636 8.549 1.00 2.11 N ATOM 0 H ARG A 53 -4.895 -6.286 5.930 1.00 0.65 H new ATOM 0 HA ARG A 53 -3.443 -4.824 4.002 1.00 0.47 H new ATOM 0 HB2 ARG A 53 -3.039 -7.757 4.545 1.00 0.54 H new ATOM 0 HB3 ARG A 53 -1.858 -6.575 4.015 1.00 0.54 H new ATOM 0 HG2 ARG A 53 -1.702 -5.580 6.179 1.00 0.99 H new ATOM 0 HG3 ARG A 53 -3.201 -6.307 6.724 1.00 0.99 H new ATOM 0 HD2 ARG A 53 -1.423 -8.423 5.813 1.00 1.16 H new ATOM 0 HD3 ARG A 53 -0.545 -7.399 6.931 1.00 1.16 H new ATOM 0 HE ARG A 53 -2.314 -7.754 8.608 1.00 1.41 H new ATOM 0 HH11 ARG A 53 -1.743 -10.328 6.302 1.00 1.95 H new ATOM 0 HH12 ARG A 53 -3.031 -11.354 6.943 1.00 1.95 H new ATOM 0 HH21 ARG A 53 -4.271 -8.873 9.154 1.00 2.11 H new ATOM 0 HH22 ARG A 53 -4.468 -10.526 8.563 1.00 2.11 H new ATOM 792 N ALA A 54 -5.290 -7.354 2.930 1.00 0.40 N ATOM 793 CA ALA A 54 -5.979 -7.902 1.780 1.00 0.37 C ATOM 794 C ALA A 54 -6.753 -6.792 1.046 1.00 0.33 C ATOM 795 O ALA A 54 -6.745 -6.706 -0.181 1.00 0.56 O ATOM 796 CB ALA A 54 -6.838 -9.067 2.243 1.00 0.48 C ATOM 0 H ALA A 54 -5.566 -7.775 3.817 1.00 0.40 H new ATOM 0 HA ALA A 54 -5.278 -8.296 1.044 1.00 0.37 H new ATOM 0 HB1 ALA A 54 -7.365 -9.493 1.389 1.00 0.48 H new ATOM 0 HB2 ALA A 54 -6.204 -9.830 2.695 1.00 0.48 H new ATOM 0 HB3 ALA A 54 -7.562 -8.716 2.978 1.00 0.48 H new ATOM 802 N GLN A 55 -7.379 -5.883 1.799 1.00 0.23 N ATOM 803 CA GLN A 55 -7.973 -4.682 1.238 1.00 0.21 C ATOM 804 C GLN A 55 -6.935 -3.827 0.508 1.00 0.22 C ATOM 805 O GLN A 55 -7.181 -3.412 -0.622 1.00 0.27 O ATOM 806 CB GLN A 55 -8.802 -3.889 2.260 1.00 0.29 C ATOM 807 CG GLN A 55 -10.031 -4.660 2.773 1.00 0.90 C ATOM 808 CD GLN A 55 -9.735 -5.513 4.006 1.00 2.06 C ATOM 809 OE1 GLN A 55 -8.887 -6.399 3.976 1.00 3.89 O ATOM 810 NE2 GLN A 55 -10.394 -5.223 5.127 1.00 1.44 N ATOM 0 H GLN A 55 -7.484 -5.965 2.810 1.00 0.23 H new ATOM 0 HA GLN A 55 -8.691 -5.007 0.485 1.00 0.21 H new ATOM 0 HB2 GLN A 55 -8.168 -3.625 3.106 1.00 0.29 H new ATOM 0 HB3 GLN A 55 -9.131 -2.955 1.805 1.00 0.29 H new ATOM 0 HG2 GLN A 55 -10.823 -3.951 3.012 1.00 0.90 H new ATOM 0 HG3 GLN A 55 -10.407 -5.302 1.977 1.00 0.90 H new ATOM 0 HE21 GLN A 55 -11.095 -4.482 5.129 1.00 1.44 H new ATOM 0 HE22 GLN A 55 -10.197 -5.742 5.983 1.00 1.44 H new ATOM 819 N VAL A 56 -5.777 -3.572 1.119 1.00 0.23 N ATOM 820 CA VAL A 56 -4.719 -2.799 0.492 1.00 0.24 C ATOM 821 C VAL A 56 -4.345 -3.434 -0.840 1.00 0.18 C ATOM 822 O VAL A 56 -4.373 -2.784 -1.879 1.00 0.20 O ATOM 823 CB VAL A 56 -3.464 -2.720 1.342 1.00 0.32 C ATOM 824 CG1 VAL A 56 -2.308 -2.070 0.573 1.00 0.32 C ATOM 825 CG2 VAL A 56 -3.753 -1.965 2.629 1.00 0.52 C ATOM 0 H VAL A 56 -5.552 -3.897 2.059 1.00 0.23 H new ATOM 0 HA VAL A 56 -5.107 -1.789 0.361 1.00 0.24 H new ATOM 0 HB VAL A 56 -3.157 -3.735 1.593 1.00 0.32 H new ATOM 0 HG11 VAL A 56 -1.425 -2.029 1.210 1.00 0.32 H new ATOM 0 HG12 VAL A 56 -2.086 -2.659 -0.317 1.00 0.32 H new ATOM 0 HG13 VAL A 56 -2.590 -1.059 0.278 1.00 0.32 H new ATOM 0 HG21 VAL A 56 -2.847 -1.914 3.232 1.00 0.52 H new ATOM 0 HG22 VAL A 56 -4.088 -0.955 2.391 1.00 0.52 H new ATOM 0 HG23 VAL A 56 -4.532 -2.484 3.188 1.00 0.52 H new ATOM 835 N GLU A 57 -3.938 -4.701 -0.793 1.00 0.22 N ATOM 836 CA GLU A 57 -3.386 -5.375 -1.948 1.00 0.27 C ATOM 837 C GLU A 57 -4.439 -5.464 -3.053 1.00 0.25 C ATOM 838 O GLU A 57 -4.164 -5.095 -4.195 1.00 0.28 O ATOM 839 CB GLU A 57 -2.710 -6.684 -1.515 1.00 0.42 C ATOM 840 CG GLU A 57 -3.640 -7.728 -0.906 1.00 0.69 C ATOM 841 CD GLU A 57 -4.321 -8.649 -1.911 1.00 1.70 C ATOM 842 OE1 GLU A 57 -4.126 -8.429 -3.126 1.00 3.01 O ATOM 843 OE2 GLU A 57 -5.024 -9.564 -1.433 1.00 2.37 O ATOM 0 H GLU A 57 -3.984 -5.280 0.046 1.00 0.22 H new ATOM 0 HA GLU A 57 -2.578 -4.805 -2.407 1.00 0.27 H new ATOM 0 HB2 GLU A 57 -2.217 -7.123 -2.382 1.00 0.42 H new ATOM 0 HB3 GLU A 57 -1.931 -6.449 -0.790 1.00 0.42 H new ATOM 0 HG2 GLU A 57 -3.068 -8.338 -0.206 1.00 0.69 H new ATOM 0 HG3 GLU A 57 -4.408 -7.215 -0.328 1.00 0.69 H new ATOM 850 N SER A 58 -5.683 -5.792 -2.686 1.00 0.27 N ATOM 851 CA SER A 58 -6.812 -5.708 -3.598 1.00 0.30 C ATOM 852 C SER A 58 -6.951 -4.289 -4.162 1.00 0.29 C ATOM 853 O SER A 58 -7.284 -4.126 -5.333 1.00 0.38 O ATOM 854 CB SER A 58 -8.098 -6.134 -2.881 1.00 0.37 C ATOM 855 OG SER A 58 -9.178 -6.236 -3.792 1.00 0.89 O ATOM 0 H SER A 58 -5.927 -6.121 -1.752 1.00 0.27 H new ATOM 0 HA SER A 58 -6.636 -6.386 -4.434 1.00 0.30 H new ATOM 0 HB2 SER A 58 -7.942 -7.093 -2.387 1.00 0.37 H new ATOM 0 HB3 SER A 58 -8.341 -5.411 -2.103 1.00 0.37 H new ATOM 0 HG SER A 58 -9.987 -6.511 -3.311 1.00 0.89 H new ATOM 861 N ALA A 59 -6.744 -3.258 -3.340 1.00 0.27 N ATOM 862 CA ALA A 59 -6.948 -1.874 -3.756 1.00 0.31 C ATOM 863 C ALA A 59 -5.883 -1.458 -4.765 1.00 0.30 C ATOM 864 O ALA A 59 -6.189 -0.856 -5.788 1.00 0.38 O ATOM 865 CB ALA A 59 -6.940 -0.928 -2.554 1.00 0.33 C ATOM 0 H ALA A 59 -6.432 -3.360 -2.374 1.00 0.27 H new ATOM 0 HA ALA A 59 -7.927 -1.808 -4.231 1.00 0.31 H new ATOM 0 HB1 ALA A 59 -7.094 0.096 -2.896 1.00 0.33 H new ATOM 0 HB2 ALA A 59 -7.739 -1.206 -1.867 1.00 0.33 H new ATOM 0 HB3 ALA A 59 -5.981 -0.999 -2.042 1.00 0.33 H new ATOM 871 N LEU A 60 -4.627 -1.785 -4.477 1.00 0.23 N ATOM 872 CA LEU A 60 -3.501 -1.561 -5.369 1.00 0.22 C ATOM 873 C LEU A 60 -3.704 -2.334 -6.668 1.00 0.26 C ATOM 874 O LEU A 60 -3.526 -1.794 -7.759 1.00 0.32 O ATOM 875 CB LEU A 60 -2.210 -1.980 -4.657 1.00 0.17 C ATOM 876 CG LEU A 60 -1.546 -0.755 -4.017 1.00 0.25 C ATOM 877 CD1 LEU A 60 -2.430 -0.036 -3.007 1.00 0.31 C ATOM 878 CD2 LEU A 60 -0.335 -1.119 -3.183 1.00 0.49 C ATOM 0 H LEU A 60 -4.361 -2.223 -3.595 1.00 0.23 H new ATOM 0 HA LEU A 60 -3.427 -0.504 -5.625 1.00 0.22 H new ATOM 0 HB2 LEU A 60 -2.431 -2.725 -3.893 1.00 0.17 H new ATOM 0 HB3 LEU A 60 -1.527 -2.445 -5.368 1.00 0.17 H new ATOM 0 HG LEU A 60 -1.313 -0.138 -4.884 1.00 0.25 H new ATOM 0 HD11 LEU A 60 -1.893 0.819 -2.597 1.00 0.31 H new ATOM 0 HD12 LEU A 60 -3.339 0.309 -3.500 1.00 0.31 H new ATOM 0 HD13 LEU A 60 -2.692 -0.721 -2.200 1.00 0.31 H new ATOM 0 HD21 LEU A 60 0.096 -0.215 -2.754 1.00 0.49 H new ATOM 0 HD22 LEU A 60 -0.635 -1.794 -2.381 1.00 0.49 H new ATOM 0 HD23 LEU A 60 0.406 -1.610 -3.813 1.00 0.49 H new ATOM 890 N GLN A 61 -4.099 -3.599 -6.561 1.00 0.27 N ATOM 891 CA GLN A 61 -4.393 -4.415 -7.720 1.00 0.35 C ATOM 892 C GLN A 61 -5.466 -3.724 -8.563 1.00 0.45 C ATOM 893 O GLN A 61 -5.261 -3.474 -9.749 1.00 0.62 O ATOM 894 CB GLN A 61 -4.774 -5.821 -7.249 1.00 0.39 C ATOM 895 CG GLN A 61 -4.988 -6.764 -8.430 1.00 0.60 C ATOM 896 CD GLN A 61 -5.082 -8.215 -7.974 1.00 1.10 C ATOM 897 OE1 GLN A 61 -6.126 -8.847 -8.094 1.00 1.56 O ATOM 898 NE2 GLN A 61 -3.985 -8.756 -7.452 1.00 1.43 N ATOM 0 H GLN A 61 -4.222 -4.080 -5.670 1.00 0.27 H new ATOM 0 HA GLN A 61 -3.524 -4.528 -8.368 1.00 0.35 H new ATOM 0 HB2 GLN A 61 -3.989 -6.216 -6.604 1.00 0.39 H new ATOM 0 HB3 GLN A 61 -5.684 -5.772 -6.651 1.00 0.39 H new ATOM 0 HG2 GLN A 61 -5.901 -6.487 -8.958 1.00 0.60 H new ATOM 0 HG3 GLN A 61 -4.166 -6.656 -9.137 1.00 0.60 H new ATOM 0 HE21 GLN A 61 -3.133 -8.201 -7.367 1.00 1.43 H new ATOM 0 HE22 GLN A 61 -3.995 -9.726 -7.137 1.00 1.43 H new ATOM 907 N LYS A 62 -6.572 -3.333 -7.929 1.00 0.42 N ATOM 908 CA LYS A 62 -7.659 -2.591 -8.558 1.00 0.55 C ATOM 909 C LYS A 62 -7.140 -1.303 -9.209 1.00 0.55 C ATOM 910 O LYS A 62 -7.538 -0.962 -10.321 1.00 0.67 O ATOM 911 CB LYS A 62 -8.756 -2.349 -7.507 1.00 0.66 C ATOM 912 CG LYS A 62 -10.002 -1.584 -7.980 1.00 2.02 C ATOM 913 CD LYS A 62 -9.799 -0.057 -7.988 1.00 4.08 C ATOM 914 CE LYS A 62 -11.127 0.715 -7.941 1.00 5.48 C ATOM 915 NZ LYS A 62 -11.781 0.645 -6.615 1.00 5.45 N ATOM 0 H LYS A 62 -6.738 -3.529 -6.942 1.00 0.42 H new ATOM 0 HA LYS A 62 -8.097 -3.168 -9.373 1.00 0.55 H new ATOM 0 HB2 LYS A 62 -9.076 -3.316 -7.119 1.00 0.66 H new ATOM 0 HB3 LYS A 62 -8.315 -1.802 -6.674 1.00 0.66 H new ATOM 0 HG2 LYS A 62 -10.267 -1.916 -8.984 1.00 2.02 H new ATOM 0 HG3 LYS A 62 -10.842 -1.831 -7.331 1.00 2.02 H new ATOM 0 HD2 LYS A 62 -9.186 0.229 -7.133 1.00 4.08 H new ATOM 0 HD3 LYS A 62 -9.249 0.228 -8.885 1.00 4.08 H new ATOM 0 HE2 LYS A 62 -10.945 1.759 -8.197 1.00 5.48 H new ATOM 0 HE3 LYS A 62 -11.803 0.314 -8.697 1.00 5.48 H new ATOM 0 HZ1 LYS A 62 -12.598 1.289 -6.596 1.00 5.45 H new ATOM 0 HZ2 LYS A 62 -12.103 -0.328 -6.438 1.00 5.45 H new ATOM 0 HZ3 LYS A 62 -11.103 0.925 -5.878 1.00 5.45 H new ATOM 929 N ALA A 63 -6.260 -0.574 -8.518 1.00 0.45 N ATOM 930 CA ALA A 63 -5.637 0.646 -9.016 1.00 0.46 C ATOM 931 C ALA A 63 -4.692 0.383 -10.197 1.00 0.45 C ATOM 932 O ALA A 63 -4.353 1.326 -10.911 1.00 0.73 O ATOM 933 CB ALA A 63 -4.919 1.373 -7.874 1.00 0.45 C ATOM 0 H ALA A 63 -5.957 -0.824 -7.577 1.00 0.45 H new ATOM 0 HA ALA A 63 -6.429 1.290 -9.399 1.00 0.46 H new ATOM 0 HB1 ALA A 63 -4.457 2.283 -8.256 1.00 0.45 H new ATOM 0 HB2 ALA A 63 -5.639 1.630 -7.097 1.00 0.45 H new ATOM 0 HB3 ALA A 63 -4.150 0.723 -7.456 1.00 0.45 H new ATOM 939 N GLY A 64 -4.258 -0.868 -10.390 1.00 0.45 N ATOM 940 CA GLY A 64 -3.496 -1.312 -11.549 1.00 0.49 C ATOM 941 C GLY A 64 -2.038 -1.616 -11.208 1.00 0.46 C ATOM 942 O GLY A 64 -1.161 -1.419 -12.045 1.00 0.55 O ATOM 0 H GLY A 64 -4.436 -1.617 -9.721 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -3.962 -2.205 -11.966 1.00 0.49 H new ATOM 0 HA3 GLY A 64 -3.533 -0.543 -12.321 1.00 0.49 H new ATOM 946 N TYR A 65 -1.776 -2.100 -9.991 1.00 0.40 N ATOM 947 CA TYR A 65 -0.463 -2.541 -9.545 1.00 0.40 C ATOM 948 C TYR A 65 -0.454 -4.070 -9.427 1.00 0.53 C ATOM 949 O TYR A 65 -1.440 -4.737 -9.739 1.00 0.89 O ATOM 950 CB TYR A 65 -0.143 -1.852 -8.214 1.00 0.36 C ATOM 951 CG TYR A 65 0.059 -0.350 -8.313 1.00 0.29 C ATOM 952 CD1 TYR A 65 -1.048 0.512 -8.433 1.00 1.73 C ATOM 953 CD2 TYR A 65 1.358 0.191 -8.297 1.00 1.70 C ATOM 954 CE1 TYR A 65 -0.859 1.897 -8.574 1.00 1.64 C ATOM 955 CE2 TYR A 65 1.541 1.581 -8.376 1.00 1.85 C ATOM 956 CZ TYR A 65 0.442 2.428 -8.568 1.00 0.53 C ATOM 957 OH TYR A 65 0.643 3.770 -8.687 1.00 0.74 O ATOM 0 H TYR A 65 -2.495 -2.196 -9.274 1.00 0.40 H new ATOM 0 HA TYR A 65 0.310 -2.266 -10.263 1.00 0.40 H new ATOM 0 HB2 TYR A 65 -0.953 -2.051 -7.513 1.00 0.36 H new ATOM 0 HB3 TYR A 65 0.758 -2.300 -7.795 1.00 0.36 H new ATOM 0 HD1 TYR A 65 -2.049 0.106 -8.417 1.00 1.73 H new ATOM 0 HD2 TYR A 65 2.214 -0.463 -8.224 1.00 1.70 H new ATOM 0 HE1 TYR A 65 -1.711 2.551 -8.687 1.00 1.64 H new ATOM 0 HE2 TYR A 65 2.533 1.999 -8.288 1.00 1.85 H new ATOM 0 HH TYR A 65 -0.120 4.250 -8.302 1.00 0.74 H new ATOM 967 N SER A 66 0.670 -4.655 -9.004 1.00 0.49 N ATOM 968 CA SER A 66 0.807 -6.100 -8.849 1.00 0.62 C ATOM 969 C SER A 66 1.815 -6.417 -7.747 1.00 0.57 C ATOM 970 O SER A 66 2.896 -6.931 -8.020 1.00 0.88 O ATOM 971 CB SER A 66 1.209 -6.731 -10.188 1.00 0.96 C ATOM 972 OG SER A 66 0.236 -6.454 -11.180 1.00 1.91 O ATOM 0 H SER A 66 1.512 -4.135 -8.759 1.00 0.49 H new ATOM 0 HA SER A 66 -0.150 -6.528 -8.552 1.00 0.62 H new ATOM 0 HB2 SER A 66 2.178 -6.344 -10.503 1.00 0.96 H new ATOM 0 HB3 SER A 66 1.320 -7.809 -10.070 1.00 0.96 H new ATOM 0 HG SER A 66 0.508 -6.862 -12.028 1.00 1.91 H new ATOM 978 N LEU A 67 1.450 -6.105 -6.500 1.00 0.33 N ATOM 979 CA LEU A 67 2.257 -6.434 -5.330 1.00 0.45 C ATOM 980 C LEU A 67 2.082 -7.861 -4.825 1.00 0.42 C ATOM 981 O LEU A 67 1.295 -8.647 -5.350 1.00 0.42 O ATOM 982 CB LEU A 67 2.020 -5.436 -4.177 1.00 0.52 C ATOM 983 CG LEU A 67 0.583 -5.016 -3.886 1.00 0.86 C ATOM 984 CD1 LEU A 67 -0.382 -6.170 -3.940 1.00 2.07 C ATOM 985 CD2 LEU A 67 0.398 -4.321 -2.542 1.00 2.03 C ATOM 0 H LEU A 67 0.583 -5.616 -6.277 1.00 0.33 H new ATOM 0 HA LEU A 67 3.287 -6.353 -5.677 1.00 0.45 H new ATOM 0 HB2 LEU A 67 2.433 -5.871 -3.267 1.00 0.52 H new ATOM 0 HB3 LEU A 67 2.596 -4.535 -4.390 1.00 0.52 H new ATOM 0 HG LEU A 67 0.365 -4.304 -4.682 1.00 0.86 H new ATOM 0 HD11 LEU A 67 -1.389 -5.813 -3.725 1.00 2.07 H new ATOM 0 HD12 LEU A 67 -0.360 -6.617 -4.934 1.00 2.07 H new ATOM 0 HD13 LEU A 67 -0.097 -6.918 -3.200 1.00 2.07 H new ATOM 0 HD21 LEU A 67 -0.651 -4.055 -2.411 1.00 2.03 H new ATOM 0 HD22 LEU A 67 0.704 -4.993 -1.740 1.00 2.03 H new ATOM 0 HD23 LEU A 67 1.008 -3.418 -2.512 1.00 2.03 H new ATOM 997 N ARG A 68 2.835 -8.163 -3.766 1.00 0.44 N ATOM 998 CA ARG A 68 2.749 -9.373 -2.978 1.00 0.41 C ATOM 999 C ARG A 68 3.053 -8.973 -1.532 1.00 0.33 C ATOM 1000 O ARG A 68 3.813 -8.029 -1.299 1.00 0.36 O ATOM 1001 CB ARG A 68 3.750 -10.379 -3.552 1.00 0.51 C ATOM 1002 CG ARG A 68 3.758 -11.749 -2.860 1.00 0.61 C ATOM 1003 CD ARG A 68 3.471 -12.887 -3.853 1.00 1.08 C ATOM 1004 NE ARG A 68 3.861 -14.199 -3.305 1.00 1.84 N ATOM 1005 CZ ARG A 68 5.094 -14.729 -3.377 1.00 3.03 C ATOM 1006 NH1 ARG A 68 6.091 -14.024 -3.923 1.00 3.99 N ATOM 1007 NH2 ARG A 68 5.328 -15.959 -2.905 1.00 3.97 N ATOM 0 H ARG A 68 3.558 -7.529 -3.424 1.00 0.44 H new ATOM 0 HA ARG A 68 1.768 -9.847 -3.005 1.00 0.41 H new ATOM 0 HB2 ARG A 68 3.531 -10.524 -4.610 1.00 0.51 H new ATOM 0 HB3 ARG A 68 4.750 -9.951 -3.489 1.00 0.51 H new ATOM 0 HG2 ARG A 68 4.727 -11.913 -2.388 1.00 0.61 H new ATOM 0 HG3 ARG A 68 3.011 -11.761 -2.067 1.00 0.61 H new ATOM 0 HD2 ARG A 68 2.409 -12.896 -4.099 1.00 1.08 H new ATOM 0 HD3 ARG A 68 4.012 -12.705 -4.782 1.00 1.08 H new ATOM 0 HE ARG A 68 3.140 -14.746 -2.835 1.00 1.84 H new ATOM 0 HH11 ARG A 68 5.915 -13.086 -4.284 1.00 3.99 H new ATOM 0 HH12 ARG A 68 7.028 -14.424 -3.979 1.00 3.99 H new ATOM 0 HH21 ARG A 68 4.569 -16.498 -2.488 1.00 3.97 H new ATOM 0 HH22 ARG A 68 6.265 -16.357 -2.962 1.00 3.97 H new ATOM 1021 N ASP A 69 2.413 -9.657 -0.581 1.00 0.37 N ATOM 1022 CA ASP A 69 2.501 -9.376 0.842 1.00 0.46 C ATOM 1023 C ASP A 69 3.879 -9.720 1.405 1.00 0.40 C ATOM 1024 O ASP A 69 4.441 -10.762 1.062 1.00 0.61 O ATOM 1025 CB ASP A 69 1.377 -10.133 1.555 1.00 0.82 C ATOM 1026 CG ASP A 69 1.255 -9.708 3.006 1.00 1.99 C ATOM 1027 OD1 ASP A 69 2.120 -10.153 3.791 1.00 2.36 O ATOM 1028 OD2 ASP A 69 0.301 -8.945 3.289 1.00 3.42 O ATOM 0 H ASP A 69 1.802 -10.445 -0.793 1.00 0.37 H new ATOM 0 HA ASP A 69 2.375 -8.307 1.012 1.00 0.46 H new ATOM 0 HB2 ASP A 69 0.433 -9.953 1.041 1.00 0.82 H new ATOM 0 HB3 ASP A 69 1.569 -11.205 1.503 1.00 0.82 H new ATOM 1033 N GLU A 70 4.415 -8.832 2.250 1.00 0.40 N ATOM 1034 CA GLU A 70 5.664 -9.026 2.965 1.00 0.47 C ATOM 1035 C GLU A 70 5.422 -9.012 4.471 1.00 0.55 C ATOM 1036 O GLU A 70 6.085 -8.285 5.210 1.00 0.65 O ATOM 1037 CB GLU A 70 6.666 -7.943 2.557 1.00 0.56 C ATOM 1038 CG GLU A 70 7.158 -8.186 1.125 1.00 0.87 C ATOM 1039 CD GLU A 70 8.401 -7.368 0.802 1.00 1.07 C ATOM 1040 OE1 GLU A 70 8.444 -6.193 1.223 1.00 1.63 O ATOM 1041 OE2 GLU A 70 9.285 -7.937 0.116 1.00 2.49 O ATOM 0 H GLU A 70 3.973 -7.936 2.455 1.00 0.40 H new ATOM 0 HA GLU A 70 6.081 -9.999 2.704 1.00 0.47 H new ATOM 0 HB2 GLU A 70 6.199 -6.961 2.627 1.00 0.56 H new ATOM 0 HB3 GLU A 70 7.512 -7.943 3.244 1.00 0.56 H new ATOM 0 HG2 GLU A 70 7.377 -9.246 0.992 1.00 0.87 H new ATOM 0 HG3 GLU A 70 6.365 -7.933 0.421 1.00 0.87 H new