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 Single : A 6 TYR OH : rot 147:sc= 0.452 USER MOD Single : A 7 SER OG : rot -77:sc= 1.19 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 63:sc= 1.29 USER MOD Single : A 13 MET CE :methyl 144:sc= -0.763 (180deg=-2.68!) USER MOD Single : A 18 CYS SG : rot 135:sc= 0.792 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.26 X(o=-1.3,f=-0.79) USER MOD Single : A 28 GLN : amide:sc= 0.293 X(o=0.29,f=-0.023) USER MOD Single : A 33 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.16) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0.0459 USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.412) USER MOD Single : A 50 ASN :FLIP amide:sc= -1.11 F(o=-2.1,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc=-0.000184 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0197 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 2.020 -2.890 11.937 1.00 0.47 N ATOM 34 CA ARG A 5 2.759 -2.463 10.764 1.00 0.43 C ATOM 35 C ARG A 5 2.797 -3.638 9.795 1.00 0.33 C ATOM 36 O ARG A 5 2.984 -4.782 10.202 1.00 0.58 O ATOM 37 CB ARG A 5 4.163 -1.983 11.167 1.00 0.66 C ATOM 38 CG ARG A 5 4.894 -1.300 10.001 1.00 0.96 C ATOM 39 CD ARG A 5 5.706 -2.247 9.099 1.00 0.77 C ATOM 40 NE ARG A 5 6.933 -2.719 9.763 1.00 1.08 N ATOM 41 CZ ARG A 5 7.847 -3.521 9.186 1.00 1.05 C ATOM 42 NH1 ARG A 5 7.699 -3.870 7.902 1.00 2.39 N ATOM 43 NH2 ARG A 5 8.881 -3.991 9.892 1.00 1.45 N ATOM 0 HA ARG A 5 2.277 -1.616 10.275 1.00 0.43 H new ATOM 0 HB2 ARG A 5 4.082 -1.287 12.002 1.00 0.66 H new ATOM 0 HB3 ARG A 5 4.750 -2.832 11.516 1.00 0.66 H new ATOM 0 HG2 ARG A 5 4.160 -0.778 9.387 1.00 0.96 H new ATOM 0 HG3 ARG A 5 5.566 -0.543 10.406 1.00 0.96 H new ATOM 0 HD2 ARG A 5 5.090 -3.103 8.823 1.00 0.77 H new ATOM 0 HD3 ARG A 5 5.968 -1.732 8.175 1.00 0.77 H new ATOM 0 HE ARG A 5 7.101 -2.418 10.723 1.00 1.08 H new ATOM 0 HH11 ARG A 5 6.899 -3.528 7.370 1.00 2.39 H new ATOM 0 HH12 ARG A 5 8.387 -4.477 7.456 1.00 2.39 H new ATOM 0 HH21 ARG A 5 8.982 -3.742 10.876 1.00 1.45 H new ATOM 0 HH22 ARG A 5 9.569 -4.598 9.446 1.00 1.45 H new ATOM 57 N TYR A 6 2.592 -3.354 8.513 1.00 0.45 N ATOM 58 CA TYR A 6 2.514 -4.330 7.435 1.00 0.37 C ATOM 59 C TYR A 6 3.497 -3.963 6.317 1.00 0.53 C ATOM 60 O TYR A 6 4.130 -2.916 6.414 1.00 1.14 O ATOM 61 CB TYR A 6 1.063 -4.305 6.957 1.00 0.48 C ATOM 62 CG TYR A 6 0.015 -4.560 8.027 1.00 0.55 C ATOM 63 CD1 TYR A 6 0.204 -5.591 8.966 1.00 1.72 C ATOM 64 CD2 TYR A 6 -1.223 -3.892 7.972 1.00 1.94 C ATOM 65 CE1 TYR A 6 -0.847 -5.977 9.810 1.00 1.77 C ATOM 66 CE2 TYR A 6 -2.304 -4.351 8.748 1.00 1.94 C ATOM 67 CZ TYR A 6 -2.120 -5.402 9.663 1.00 0.71 C ATOM 68 OH TYR A 6 -3.197 -6.095 10.139 1.00 0.91 O ATOM 0 H TYR A 6 2.471 -2.396 8.184 1.00 0.45 H new ATOM 0 HA TYR A 6 2.790 -5.333 7.762 1.00 0.37 H new ATOM 0 HB2 TYR A 6 0.865 -3.333 6.504 1.00 0.48 H new ATOM 0 HB3 TYR A 6 0.945 -5.052 6.172 1.00 0.48 H new ATOM 0 HD1 TYR A 6 1.161 -6.086 9.037 1.00 1.72 H new ATOM 0 HD2 TYR A 6 -1.343 -3.028 7.335 1.00 1.94 H new ATOM 0 HE1 TYR A 6 -0.677 -6.719 10.576 1.00 1.77 H new ATOM 0 HE2 TYR A 6 -3.277 -3.895 8.640 1.00 1.94 H new ATOM 0 HH TYR A 6 -3.874 -5.465 10.464 1.00 0.91 H new ATOM 78 N SER A 7 3.666 -4.793 5.275 1.00 0.22 N ATOM 79 CA SER A 7 4.427 -4.412 4.083 1.00 0.22 C ATOM 80 C SER A 7 4.047 -5.232 2.862 1.00 0.23 C ATOM 81 O SER A 7 3.591 -6.368 2.987 1.00 0.23 O ATOM 82 CB SER A 7 5.945 -4.525 4.344 1.00 0.28 C ATOM 83 OG SER A 7 6.740 -3.938 3.324 1.00 1.71 O ATOM 0 H SER A 7 3.282 -5.737 5.238 1.00 0.22 H new ATOM 0 HA SER A 7 4.173 -3.374 3.870 1.00 0.22 H new ATOM 0 HB2 SER A 7 6.179 -4.048 5.296 1.00 0.28 H new ATOM 0 HB3 SER A 7 6.212 -5.577 4.441 1.00 0.28 H new ATOM 0 HG SER A 7 6.774 -4.538 2.550 1.00 1.71 H new ATOM 89 N TRP A 8 4.254 -4.620 1.695 1.00 0.25 N ATOM 90 CA TRP A 8 4.125 -5.215 0.383 1.00 0.26 C ATOM 91 C TRP A 8 5.250 -4.713 -0.506 1.00 0.21 C ATOM 92 O TRP A 8 5.608 -3.536 -0.433 1.00 0.18 O ATOM 93 CB TRP A 8 2.776 -4.826 -0.219 1.00 0.28 C ATOM 94 CG TRP A 8 1.642 -5.340 0.585 1.00 0.35 C ATOM 95 CD1 TRP A 8 1.089 -6.569 0.602 1.00 0.38 C ATOM 96 CD2 TRP A 8 0.981 -4.676 1.662 1.00 0.39 C ATOM 97 NE1 TRP A 8 0.382 -6.709 1.790 1.00 0.37 N ATOM 98 CE2 TRP A 8 0.653 -5.630 2.635 1.00 0.40 C ATOM 99 CE3 TRP A 8 0.482 -3.402 1.926 1.00 0.43 C ATOM 100 CZ2 TRP A 8 0.336 -5.106 3.913 1.00 0.44 C ATOM 101 CZ3 TRP A 8 -0.681 -3.382 2.732 1.00 0.42 C ATOM 102 CH2 TRP A 8 -0.580 -4.051 3.938 1.00 0.42 C ATOM 0 H TRP A 8 4.532 -3.640 1.648 1.00 0.25 H new ATOM 0 HA TRP A 8 4.183 -6.301 0.462 1.00 0.26 H new ATOM 0 HB2 TRP A 8 2.709 -3.740 -0.288 1.00 0.28 H new ATOM 0 HB3 TRP A 8 2.706 -5.215 -1.235 1.00 0.28 H new ATOM 0 HD1 TRP A 8 1.180 -7.315 -0.173 1.00 0.38 H new ATOM 0 HE1 TRP A 8 -0.242 -7.484 2.012 1.00 0.37 H new ATOM 0 HE3 TRP A 8 0.945 -2.503 1.546 1.00 0.43 H new ATOM 0 HZ2 TRP A 8 0.777 -5.500 4.817 1.00 0.44 H new ATOM 0 HZ3 TRP A 8 -1.586 -2.878 2.426 1.00 0.42 H new ATOM 0 HH2 TRP A 8 -1.153 -3.784 4.814 1.00 0.42 H new ATOM 113 N LYS A 9 5.724 -5.595 -1.387 1.00 0.27 N ATOM 114 CA LYS A 9 6.697 -5.309 -2.431 1.00 0.29 C ATOM 115 C LYS A 9 5.921 -5.111 -3.724 1.00 0.33 C ATOM 116 O LYS A 9 5.128 -5.991 -4.046 1.00 0.43 O ATOM 117 CB LYS A 9 7.706 -6.460 -2.572 1.00 0.41 C ATOM 118 CG LYS A 9 7.074 -7.865 -2.656 1.00 0.68 C ATOM 119 CD LYS A 9 8.101 -8.965 -2.384 1.00 0.69 C ATOM 120 CE LYS A 9 9.079 -9.115 -3.555 1.00 1.24 C ATOM 121 NZ LYS A 9 10.134 -10.100 -3.251 1.00 1.79 N ATOM 0 H LYS A 9 5.424 -6.570 -1.389 1.00 0.27 H new ATOM 0 HA LYS A 9 7.270 -4.415 -2.185 1.00 0.29 H new ATOM 0 HB2 LYS A 9 8.305 -6.292 -3.467 1.00 0.41 H new ATOM 0 HB3 LYS A 9 8.388 -6.433 -1.722 1.00 0.41 H new ATOM 0 HG2 LYS A 9 6.260 -7.941 -1.935 1.00 0.68 H new ATOM 0 HG3 LYS A 9 6.639 -8.010 -3.645 1.00 0.68 H new ATOM 0 HD2 LYS A 9 8.653 -8.733 -1.473 1.00 0.69 H new ATOM 0 HD3 LYS A 9 7.587 -9.911 -2.213 1.00 0.69 H new ATOM 0 HE2 LYS A 9 8.536 -9.425 -4.448 1.00 1.24 H new ATOM 0 HE3 LYS A 9 9.533 -8.150 -3.778 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 10.780 -10.179 -4.063 1.00 1.79 H new ATOM 0 HZ2 LYS A 9 10.667 -9.790 -2.413 1.00 1.79 H new ATOM 0 HZ3 LYS A 9 9.700 -11.026 -3.063 1.00 1.79 H new ATOM 135 N VAL A 10 6.092 -3.981 -4.424 1.00 0.47 N ATOM 136 CA VAL A 10 5.263 -3.586 -5.561 1.00 0.62 C ATOM 137 C VAL A 10 6.078 -3.179 -6.791 1.00 0.94 C ATOM 138 O VAL A 10 6.556 -2.048 -6.896 1.00 2.12 O ATOM 139 CB VAL A 10 4.269 -2.502 -5.124 1.00 0.73 C ATOM 140 CG1 VAL A 10 4.849 -1.121 -4.816 1.00 1.28 C ATOM 141 CG2 VAL A 10 3.178 -2.357 -6.186 1.00 1.72 C ATOM 0 H VAL A 10 6.826 -3.306 -4.208 1.00 0.47 H new ATOM 0 HA VAL A 10 4.700 -4.461 -5.884 1.00 0.62 H new ATOM 0 HB VAL A 10 3.884 -2.860 -4.169 1.00 0.73 H new ATOM 0 HG11 VAL A 10 4.046 -0.447 -4.519 1.00 1.28 H new ATOM 0 HG12 VAL A 10 5.572 -1.203 -4.005 1.00 1.28 H new ATOM 0 HG13 VAL A 10 5.343 -0.728 -5.704 1.00 1.28 H new ATOM 0 HG21 VAL A 10 2.470 -1.587 -5.878 1.00 1.72 H new ATOM 0 HG22 VAL A 10 3.631 -2.074 -7.136 1.00 1.72 H new ATOM 0 HG23 VAL A 10 2.654 -3.306 -6.302 1.00 1.72 H new ATOM 151 N SER A 11 6.186 -4.082 -7.768 1.00 0.47 N ATOM 152 CA SER A 11 6.974 -3.823 -8.968 1.00 0.45 C ATOM 153 C SER A 11 6.180 -2.907 -9.911 1.00 0.45 C ATOM 154 O SER A 11 5.629 -3.356 -10.914 1.00 0.93 O ATOM 155 CB SER A 11 7.448 -5.149 -9.593 1.00 0.69 C ATOM 156 OG SER A 11 8.821 -5.078 -9.934 1.00 2.00 O ATOM 0 H SER A 11 5.737 -4.998 -7.749 1.00 0.47 H new ATOM 0 HA SER A 11 7.890 -3.283 -8.727 1.00 0.45 H new ATOM 0 HB2 SER A 11 7.284 -5.967 -8.891 1.00 0.69 H new ATOM 0 HB3 SER A 11 6.858 -5.369 -10.483 1.00 0.69 H new ATOM 0 HG SER A 11 9.354 -4.952 -9.121 1.00 2.00 H new ATOM 162 N GLY A 12 6.091 -1.618 -9.560 1.00 0.50 N ATOM 163 CA GLY A 12 5.328 -0.642 -10.330 1.00 0.50 C ATOM 164 C GLY A 12 5.421 0.798 -9.812 1.00 0.62 C ATOM 165 O GLY A 12 5.351 1.732 -10.604 1.00 1.36 O ATOM 0 H GLY A 12 6.547 -1.228 -8.735 1.00 0.50 H new ATOM 0 HA2 GLY A 12 5.674 -0.665 -11.364 1.00 0.50 H new ATOM 0 HA3 GLY A 12 4.281 -0.944 -10.337 1.00 0.50 H new ATOM 169 N MET A 13 5.533 1.019 -8.497 1.00 0.44 N ATOM 170 CA MET A 13 5.580 2.379 -7.961 1.00 0.39 C ATOM 171 C MET A 13 6.908 3.073 -8.303 1.00 0.38 C ATOM 172 O MET A 13 7.921 2.797 -7.660 1.00 0.55 O ATOM 173 CB MET A 13 5.402 2.358 -6.439 1.00 0.50 C ATOM 174 CG MET A 13 3.957 2.381 -5.933 1.00 1.17 C ATOM 175 SD MET A 13 3.829 3.162 -4.299 1.00 1.96 S ATOM 176 CE MET A 13 4.818 2.046 -3.274 1.00 2.22 C ATOM 0 H MET A 13 5.592 0.282 -7.794 1.00 0.44 H new ATOM 0 HA MET A 13 4.766 2.939 -8.421 1.00 0.39 H new ATOM 0 HB2 MET A 13 5.889 1.465 -6.048 1.00 0.50 H new ATOM 0 HB3 MET A 13 5.927 3.216 -6.020 1.00 0.50 H new ATOM 0 HG2 MET A 13 3.331 2.920 -6.644 1.00 1.17 H new ATOM 0 HG3 MET A 13 3.574 1.362 -5.880 1.00 1.17 H new ATOM 0 HE1 MET A 13 5.354 2.623 -2.521 1.00 2.22 H new ATOM 0 HE2 MET A 13 4.163 1.327 -2.782 1.00 2.22 H new ATOM 0 HE3 MET A 13 5.534 1.514 -3.901 1.00 2.22 H new ATOM 186 N ASP A 14 6.891 4.011 -9.258 1.00 0.38 N ATOM 187 CA ASP A 14 8.082 4.687 -9.780 1.00 0.46 C ATOM 188 C ASP A 14 8.128 6.211 -9.554 1.00 0.47 C ATOM 189 O ASP A 14 9.197 6.795 -9.732 1.00 0.57 O ATOM 190 CB ASP A 14 8.196 4.372 -11.279 1.00 0.60 C ATOM 191 CG ASP A 14 6.991 4.889 -12.055 1.00 0.68 C ATOM 192 OD1 ASP A 14 6.808 6.120 -12.085 1.00 1.55 O ATOM 193 OD2 ASP A 14 6.212 4.057 -12.563 1.00 1.08 O ATOM 0 H ASP A 14 6.027 4.328 -9.699 1.00 0.38 H new ATOM 0 HA ASP A 14 8.930 4.301 -9.214 1.00 0.46 H new ATOM 0 HB2 ASP A 14 9.106 4.821 -11.677 1.00 0.60 H new ATOM 0 HB3 ASP A 14 8.285 3.295 -11.419 1.00 0.60 H new ATOM 198 N CYS A 15 7.024 6.860 -9.155 1.00 0.45 N ATOM 199 CA CYS A 15 6.890 8.315 -9.156 1.00 0.43 C ATOM 200 C CYS A 15 6.229 8.766 -7.858 1.00 0.35 C ATOM 201 O CYS A 15 5.448 8.018 -7.272 1.00 0.34 O ATOM 202 CB CYS A 15 6.011 8.803 -10.322 1.00 0.47 C ATOM 203 SG CYS A 15 6.212 7.873 -11.867 1.00 0.61 S ATOM 0 H CYS A 15 6.191 6.378 -8.819 1.00 0.45 H new ATOM 0 HA CYS A 15 7.891 8.735 -9.260 1.00 0.43 H new ATOM 0 HB2 CYS A 15 4.966 8.752 -10.017 1.00 0.47 H new ATOM 0 HB3 CYS A 15 6.236 9.852 -10.514 1.00 0.47 H new ATOM 208 N ALA A 16 6.458 10.022 -7.468 1.00 0.32 N ATOM 209 CA ALA A 16 5.803 10.615 -6.309 1.00 0.30 C ATOM 210 C ALA A 16 4.304 10.788 -6.550 1.00 0.23 C ATOM 211 O ALA A 16 3.506 10.596 -5.639 1.00 0.22 O ATOM 212 CB ALA A 16 6.449 11.964 -5.977 1.00 0.35 C ATOM 0 H ALA A 16 7.101 10.652 -7.948 1.00 0.32 H new ATOM 0 HA ALA A 16 5.929 9.940 -5.462 1.00 0.30 H new ATOM 0 HB1 ALA A 16 5.954 12.401 -5.110 1.00 0.35 H new ATOM 0 HB2 ALA A 16 7.506 11.817 -5.755 1.00 0.35 H new ATOM 0 HB3 ALA A 16 6.347 12.636 -6.829 1.00 0.35 H new ATOM 218 N ALA A 17 3.901 11.164 -7.768 1.00 0.26 N ATOM 219 CA ALA A 17 2.487 11.300 -8.099 1.00 0.28 C ATOM 220 C ALA A 17 1.787 9.947 -7.940 1.00 0.28 C ATOM 221 O ALA A 17 0.784 9.836 -7.233 1.00 0.29 O ATOM 222 CB ALA A 17 2.332 11.850 -9.519 1.00 0.33 C ATOM 0 H ALA A 17 4.536 11.378 -8.537 1.00 0.26 H new ATOM 0 HA ALA A 17 2.016 12.007 -7.416 1.00 0.28 H new ATOM 0 HB1 ALA A 17 1.273 11.948 -9.758 1.00 0.33 H new ATOM 0 HB2 ALA A 17 2.811 12.827 -9.585 1.00 0.33 H new ATOM 0 HB3 ALA A 17 2.802 11.167 -10.227 1.00 0.33 H new ATOM 228 N CYS A 18 2.355 8.922 -8.583 1.00 0.31 N ATOM 229 CA CYS A 18 1.948 7.535 -8.444 1.00 0.33 C ATOM 230 C CYS A 18 1.837 7.194 -6.957 1.00 0.30 C ATOM 231 O CYS A 18 0.758 6.827 -6.494 1.00 0.35 O ATOM 232 CB CYS A 18 2.943 6.620 -9.178 1.00 0.37 C ATOM 233 SG CYS A 18 3.041 7.078 -10.937 1.00 0.49 S ATOM 0 H CYS A 18 3.132 9.046 -9.231 1.00 0.31 H new ATOM 0 HA CYS A 18 0.971 7.378 -8.901 1.00 0.33 H new ATOM 0 HB2 CYS A 18 3.928 6.700 -8.719 1.00 0.37 H new ATOM 0 HB3 CYS A 18 2.630 5.580 -9.083 1.00 0.37 H new ATOM 0 HG CYS A 18 4.286 7.106 -11.309 1.00 0.49 H new ATOM 238 N ALA A 19 2.932 7.371 -6.208 1.00 0.24 N ATOM 239 CA ALA A 19 2.978 7.147 -4.771 1.00 0.23 C ATOM 240 C ALA A 19 1.791 7.802 -4.075 1.00 0.19 C ATOM 241 O ALA A 19 1.069 7.144 -3.337 1.00 0.23 O ATOM 242 CB ALA A 19 4.295 7.673 -4.193 1.00 0.26 C ATOM 0 H ALA A 19 3.823 7.679 -6.597 1.00 0.24 H new ATOM 0 HA ALA A 19 2.921 6.073 -4.593 1.00 0.23 H new ATOM 0 HB1 ALA A 19 4.316 7.499 -3.117 1.00 0.26 H new ATOM 0 HB2 ALA A 19 5.131 7.153 -4.661 1.00 0.26 H new ATOM 0 HB3 ALA A 19 4.377 8.742 -4.389 1.00 0.26 H new ATOM 248 N ARG A 20 1.557 9.090 -4.317 1.00 0.19 N ATOM 249 CA ARG A 20 0.449 9.787 -3.693 1.00 0.20 C ATOM 250 C ARG A 20 -0.876 9.107 -4.043 1.00 0.19 C ATOM 251 O ARG A 20 -1.750 8.942 -3.192 1.00 0.24 O ATOM 252 CB ARG A 20 0.434 11.262 -4.101 1.00 0.26 C ATOM 253 CG ARG A 20 0.147 12.138 -2.879 1.00 0.79 C ATOM 254 CD ARG A 20 -0.177 13.577 -3.301 1.00 0.79 C ATOM 255 NE ARG A 20 -0.793 14.346 -2.206 1.00 1.71 N ATOM 256 CZ ARG A 20 -2.058 14.196 -1.774 1.00 2.80 C ATOM 257 NH1 ARG A 20 -2.836 13.242 -2.298 1.00 3.85 N ATOM 258 NH2 ARG A 20 -2.541 15.004 -0.824 1.00 3.68 N ATOM 0 H ARG A 20 2.122 9.666 -4.941 1.00 0.19 H new ATOM 0 HA ARG A 20 0.580 9.742 -2.612 1.00 0.20 H new ATOM 0 HB2 ARG A 20 1.394 11.537 -4.539 1.00 0.26 H new ATOM 0 HB3 ARG A 20 -0.325 11.429 -4.865 1.00 0.26 H new ATOM 0 HG2 ARG A 20 -0.689 11.722 -2.317 1.00 0.79 H new ATOM 0 HG3 ARG A 20 1.011 12.135 -2.214 1.00 0.79 H new ATOM 0 HD2 ARG A 20 0.737 14.075 -3.624 1.00 0.79 H new ATOM 0 HD3 ARG A 20 -0.851 13.561 -4.157 1.00 0.79 H new ATOM 0 HE ARG A 20 -0.216 15.046 -1.740 1.00 1.71 H new ATOM 0 HH11 ARG A 20 -2.470 12.628 -3.026 1.00 3.85 H new ATOM 0 HH12 ARG A 20 -3.795 13.129 -1.970 1.00 3.85 H new ATOM 0 HH21 ARG A 20 -1.950 15.734 -0.427 1.00 3.68 H new ATOM 0 HH22 ARG A 20 -3.500 14.890 -0.497 1.00 3.68 H new ATOM 272 N LYS A 21 -1.052 8.700 -5.300 1.00 0.18 N ATOM 273 CA LYS A 21 -2.280 8.028 -5.678 1.00 0.21 C ATOM 274 C LYS A 21 -2.399 6.703 -4.923 1.00 0.21 C ATOM 275 O LYS A 21 -3.476 6.372 -4.436 1.00 0.24 O ATOM 276 CB LYS A 21 -2.381 7.864 -7.201 1.00 0.30 C ATOM 277 CG LYS A 21 -3.818 8.185 -7.637 1.00 0.88 C ATOM 278 CD LYS A 21 -4.012 8.004 -9.146 1.00 1.27 C ATOM 279 CE LYS A 21 -5.414 8.500 -9.541 1.00 1.66 C ATOM 280 NZ LYS A 21 -5.698 8.297 -10.976 1.00 2.37 N ATOM 0 H LYS A 21 -0.374 8.823 -6.052 1.00 0.18 H new ATOM 0 HA LYS A 21 -3.131 8.645 -5.390 1.00 0.21 H new ATOM 0 HB2 LYS A 21 -1.677 8.530 -7.700 1.00 0.30 H new ATOM 0 HB3 LYS A 21 -2.117 6.847 -7.490 1.00 0.30 H new ATOM 0 HG2 LYS A 21 -4.513 7.538 -7.102 1.00 0.88 H new ATOM 0 HG3 LYS A 21 -4.061 9.211 -7.360 1.00 0.88 H new ATOM 0 HD2 LYS A 21 -3.250 8.560 -9.692 1.00 1.27 H new ATOM 0 HD3 LYS A 21 -3.895 6.954 -9.416 1.00 1.27 H new ATOM 0 HE2 LYS A 21 -6.163 7.976 -8.947 1.00 1.66 H new ATOM 0 HE3 LYS A 21 -5.502 9.560 -9.302 1.00 1.66 H new ATOM 0 HZ1 LYS A 21 -6.653 8.646 -11.194 1.00 2.37 H new ATOM 0 HZ2 LYS A 21 -5.001 8.818 -11.545 1.00 2.37 H new ATOM 0 HZ3 LYS A 21 -5.641 7.283 -11.201 1.00 2.37 H new ATOM 294 N VAL A 22 -1.293 5.968 -4.783 1.00 0.21 N ATOM 295 CA VAL A 22 -1.266 4.711 -4.053 1.00 0.24 C ATOM 296 C VAL A 22 -1.621 4.955 -2.587 1.00 0.23 C ATOM 297 O VAL A 22 -2.471 4.257 -2.031 1.00 0.31 O ATOM 298 CB VAL A 22 0.109 4.029 -4.187 1.00 0.25 C ATOM 299 CG1 VAL A 22 0.077 2.644 -3.541 1.00 0.42 C ATOM 300 CG2 VAL A 22 0.532 3.864 -5.651 1.00 0.55 C ATOM 0 H VAL A 22 -0.391 6.234 -5.177 1.00 0.21 H new ATOM 0 HA VAL A 22 -2.008 4.038 -4.482 1.00 0.24 H new ATOM 0 HB VAL A 22 0.829 4.674 -3.684 1.00 0.25 H new ATOM 0 HG11 VAL A 22 1.055 2.173 -3.642 1.00 0.42 H new ATOM 0 HG12 VAL A 22 -0.171 2.741 -2.484 1.00 0.42 H new ATOM 0 HG13 VAL A 22 -0.675 2.029 -4.035 1.00 0.42 H new ATOM 0 HG21 VAL A 22 1.507 3.379 -5.696 1.00 0.55 H new ATOM 0 HG22 VAL A 22 -0.202 3.252 -6.175 1.00 0.55 H new ATOM 0 HG23 VAL A 22 0.592 4.844 -6.125 1.00 0.55 H new ATOM 310 N GLU A 23 -0.977 5.940 -1.950 1.00 0.21 N ATOM 311 CA GLU A 23 -1.152 6.159 -0.527 1.00 0.24 C ATOM 312 C GLU A 23 -2.611 6.530 -0.290 1.00 0.24 C ATOM 313 O GLU A 23 -3.244 6.038 0.633 1.00 0.29 O ATOM 314 CB GLU A 23 -0.151 7.180 0.059 1.00 0.32 C ATOM 315 CG GLU A 23 -0.621 8.626 -0.115 1.00 0.38 C ATOM 316 CD GLU A 23 0.289 9.706 0.440 1.00 0.54 C ATOM 317 OE1 GLU A 23 1.312 9.346 1.057 1.00 1.51 O ATOM 318 OE2 GLU A 23 -0.095 10.881 0.240 1.00 1.85 O ATOM 0 H GLU A 23 -0.335 6.590 -2.403 1.00 0.21 H new ATOM 0 HA GLU A 23 -0.922 5.242 0.016 1.00 0.24 H new ATOM 0 HB2 GLU A 23 -0.005 6.974 1.119 1.00 0.32 H new ATOM 0 HB3 GLU A 23 0.817 7.055 -0.426 1.00 0.32 H new ATOM 0 HG2 GLU A 23 -0.762 8.813 -1.180 1.00 0.38 H new ATOM 0 HG3 GLU A 23 -1.598 8.726 0.359 1.00 0.38 H new ATOM 325 N ASN A 24 -3.152 7.384 -1.161 1.00 0.22 N ATOM 326 CA ASN A 24 -4.532 7.830 -1.090 1.00 0.27 C ATOM 327 C ASN A 24 -5.477 6.649 -1.347 1.00 0.29 C ATOM 328 O ASN A 24 -6.498 6.532 -0.665 1.00 0.39 O ATOM 329 CB ASN A 24 -4.771 9.017 -2.038 1.00 0.38 C ATOM 330 CG ASN A 24 -4.243 10.339 -1.460 1.00 1.53 C ATOM 331 OD1 ASN A 24 -4.989 11.275 -1.186 1.00 2.43 O ATOM 332 ND2 ASN A 24 -2.935 10.449 -1.275 1.00 2.82 N ATOM 0 H ASN A 24 -2.633 7.786 -1.942 1.00 0.22 H new ATOM 0 HA ASN A 24 -4.748 8.197 -0.087 1.00 0.27 H new ATOM 0 HB2 ASN A 24 -4.284 8.820 -2.993 1.00 0.38 H new ATOM 0 HB3 ASN A 24 -5.838 9.111 -2.238 1.00 0.38 H new ATOM 0 HD21 ASN A 24 -2.544 11.314 -0.903 1.00 2.82 H new ATOM 0 HD22 ASN A 24 -2.320 9.668 -1.504 1.00 2.82 H new ATOM 339 N ALA A 25 -5.147 5.775 -2.306 1.00 0.29 N ATOM 340 CA ALA A 25 -5.926 4.583 -2.641 1.00 0.35 C ATOM 341 C ALA A 25 -6.161 3.702 -1.416 1.00 0.29 C ATOM 342 O ALA A 25 -7.272 3.219 -1.214 1.00 0.39 O ATOM 343 CB ALA A 25 -5.262 3.780 -3.766 1.00 0.48 C ATOM 0 H ALA A 25 -4.312 5.882 -2.882 1.00 0.29 H new ATOM 0 HA ALA A 25 -6.898 4.925 -2.997 1.00 0.35 H new ATOM 0 HB1 ALA A 25 -5.866 2.901 -3.991 1.00 0.48 H new ATOM 0 HB2 ALA A 25 -5.180 4.402 -4.658 1.00 0.48 H new ATOM 0 HB3 ALA A 25 -4.267 3.466 -3.450 1.00 0.48 H new ATOM 349 N VAL A 26 -5.128 3.490 -0.596 1.00 0.26 N ATOM 350 CA VAL A 26 -5.297 2.762 0.658 1.00 0.31 C ATOM 351 C VAL A 26 -5.922 3.662 1.725 1.00 0.29 C ATOM 352 O VAL A 26 -6.881 3.269 2.384 1.00 0.40 O ATOM 353 CB VAL A 26 -3.981 2.090 1.085 1.00 0.48 C ATOM 354 CG1 VAL A 26 -2.789 3.022 1.276 1.00 2.13 C ATOM 355 CG2 VAL A 26 -4.084 1.204 2.322 1.00 2.57 C ATOM 0 H VAL A 26 -4.177 3.810 -0.778 1.00 0.26 H new ATOM 0 HA VAL A 26 -6.004 1.945 0.512 1.00 0.31 H new ATOM 0 HB VAL A 26 -3.793 1.469 0.209 1.00 0.48 H new ATOM 0 HG11 VAL A 26 -1.917 2.441 1.576 1.00 2.13 H new ATOM 0 HG12 VAL A 26 -2.577 3.538 0.339 1.00 2.13 H new ATOM 0 HG13 VAL A 26 -3.020 3.755 2.049 1.00 2.13 H new ATOM 0 HG21 VAL A 26 -3.107 0.775 2.545 1.00 2.57 H new ATOM 0 HG22 VAL A 26 -4.420 1.801 3.170 1.00 2.57 H new ATOM 0 HG23 VAL A 26 -4.799 0.402 2.137 1.00 2.57 H new ATOM 365 N ARG A 27 -5.394 4.875 1.903 1.00 0.23 N ATOM 366 CA ARG A 27 -5.734 5.728 3.037 1.00 0.28 C ATOM 367 C ARG A 27 -7.237 5.990 3.104 1.00 0.40 C ATOM 368 O ARG A 27 -7.813 6.046 4.187 1.00 0.46 O ATOM 369 CB ARG A 27 -4.935 7.032 2.954 1.00 0.30 C ATOM 370 CG ARG A 27 -5.161 7.946 4.161 1.00 0.43 C ATOM 371 CD ARG A 27 -4.273 9.187 4.026 1.00 0.54 C ATOM 372 NE ARG A 27 -4.471 10.102 5.159 1.00 0.73 N ATOM 373 CZ ARG A 27 -3.849 11.284 5.301 1.00 1.31 C ATOM 374 NH1 ARG A 27 -2.955 11.678 4.387 1.00 1.94 N ATOM 375 NH2 ARG A 27 -4.126 12.062 6.353 1.00 1.45 N ATOM 0 H ARG A 27 -4.718 5.291 1.262 1.00 0.23 H new ATOM 0 HA ARG A 27 -5.465 5.214 3.960 1.00 0.28 H new ATOM 0 HB2 ARG A 27 -3.873 6.798 2.876 1.00 0.30 H new ATOM 0 HB3 ARG A 27 -5.212 7.565 2.044 1.00 0.30 H new ATOM 0 HG2 ARG A 27 -6.209 8.239 4.219 1.00 0.43 H new ATOM 0 HG3 ARG A 27 -4.927 7.415 5.084 1.00 0.43 H new ATOM 0 HD2 ARG A 27 -3.227 8.886 3.976 1.00 0.54 H new ATOM 0 HD3 ARG A 27 -4.502 9.703 3.093 1.00 0.54 H new ATOM 0 HE ARG A 27 -5.126 9.820 5.888 1.00 0.73 H new ATOM 0 HH11 ARG A 27 -2.748 11.082 3.586 1.00 1.94 H new ATOM 0 HH12 ARG A 27 -2.481 12.575 4.491 1.00 1.94 H new ATOM 0 HH21 ARG A 27 -4.809 11.758 7.047 1.00 1.45 H new ATOM 0 HH22 ARG A 27 -3.654 12.960 6.462 1.00 1.45 H new ATOM 389 N GLN A 28 -7.873 6.139 1.942 1.00 0.45 N ATOM 390 CA GLN A 28 -9.305 6.378 1.851 1.00 0.60 C ATOM 391 C GLN A 28 -10.165 5.259 2.452 1.00 0.65 C ATOM 392 O GLN A 28 -11.351 5.491 2.664 1.00 0.77 O ATOM 393 CB GLN A 28 -9.698 6.699 0.408 1.00 0.68 C ATOM 394 CG GLN A 28 -9.538 5.462 -0.471 1.00 0.57 C ATOM 395 CD GLN A 28 -9.639 5.812 -1.949 1.00 0.70 C ATOM 396 OE1 GLN A 28 -10.558 5.394 -2.644 1.00 0.92 O ATOM 397 NE2 GLN A 28 -8.690 6.605 -2.437 1.00 0.81 N ATOM 0 H GLN A 28 -7.404 6.096 1.037 1.00 0.45 H new ATOM 0 HA GLN A 28 -9.517 7.248 2.473 1.00 0.60 H new ATOM 0 HB2 GLN A 28 -10.730 7.047 0.374 1.00 0.68 H new ATOM 0 HB3 GLN A 28 -9.076 7.508 0.026 1.00 0.68 H new ATOM 0 HG2 GLN A 28 -8.574 4.995 -0.272 1.00 0.57 H new ATOM 0 HG3 GLN A 28 -10.305 4.731 -0.216 1.00 0.57 H new ATOM 0 HE21 GLN A 28 -7.939 6.935 -1.830 1.00 0.81 H new ATOM 0 HE22 GLN A 28 -8.713 6.884 -3.418 1.00 0.81 H new ATOM 406 N LEU A 29 -9.629 4.048 2.660 1.00 0.59 N ATOM 407 CA LEU A 29 -10.457 2.909 3.028 1.00 0.71 C ATOM 408 C LEU A 29 -11.106 3.103 4.404 1.00 0.69 C ATOM 409 O LEU A 29 -12.312 3.319 4.477 1.00 0.85 O ATOM 410 CB LEU A 29 -9.635 1.615 2.951 1.00 0.72 C ATOM 411 CG LEU A 29 -9.169 1.271 1.524 1.00 0.79 C ATOM 412 CD1 LEU A 29 -8.292 0.020 1.598 1.00 0.94 C ATOM 413 CD2 LEU A 29 -10.347 1.007 0.583 1.00 1.16 C ATOM 0 H LEU A 29 -8.634 3.841 2.579 1.00 0.59 H new ATOM 0 HA LEU A 29 -11.276 2.830 2.313 1.00 0.71 H new ATOM 0 HB2 LEU A 29 -8.763 1.708 3.598 1.00 0.72 H new ATOM 0 HB3 LEU A 29 -10.232 0.790 3.339 1.00 0.72 H new ATOM 0 HG LEU A 29 -8.616 2.121 1.125 1.00 0.79 H new ATOM 0 HD11 LEU A 29 -7.949 -0.244 0.597 1.00 0.94 H new ATOM 0 HD12 LEU A 29 -7.431 0.217 2.237 1.00 0.94 H new ATOM 0 HD13 LEU A 29 -8.870 -0.806 2.013 1.00 0.94 H new ATOM 0 HD21 LEU A 29 -9.971 0.768 -0.412 1.00 1.16 H new ATOM 0 HD22 LEU A 29 -10.933 0.169 0.960 1.00 1.16 H new ATOM 0 HD23 LEU A 29 -10.976 1.895 0.530 1.00 1.16 H new ATOM 425 N ALA A 30 -10.319 2.982 5.481 1.00 0.54 N ATOM 426 CA ALA A 30 -10.749 3.079 6.875 1.00 0.51 C ATOM 427 C ALA A 30 -9.649 2.562 7.804 1.00 0.41 C ATOM 428 O ALA A 30 -9.105 3.308 8.609 1.00 0.33 O ATOM 429 CB ALA A 30 -12.013 2.249 7.107 1.00 0.59 C ATOM 0 H ALA A 30 -9.318 2.805 5.396 1.00 0.54 H new ATOM 0 HA ALA A 30 -10.956 4.127 7.090 1.00 0.51 H new ATOM 0 HB1 ALA A 30 -12.318 2.334 8.150 1.00 0.59 H new ATOM 0 HB2 ALA A 30 -12.813 2.617 6.464 1.00 0.59 H new ATOM 0 HB3 ALA A 30 -11.810 1.204 6.872 1.00 0.59 H new ATOM 435 N GLY A 31 -9.357 1.260 7.706 1.00 0.48 N ATOM 436 CA GLY A 31 -8.491 0.540 8.632 1.00 0.46 C ATOM 437 C GLY A 31 -7.114 1.184 8.796 1.00 0.38 C ATOM 438 O GLY A 31 -6.553 1.194 9.892 1.00 0.41 O ATOM 0 H GLY A 31 -9.727 0.669 6.962 1.00 0.48 H new ATOM 0 HA2 GLY A 31 -8.977 0.486 9.606 1.00 0.46 H new ATOM 0 HA3 GLY A 31 -8.366 -0.484 8.280 1.00 0.46 H new ATOM 442 N VAL A 32 -6.530 1.621 7.678 1.00 0.34 N ATOM 443 CA VAL A 32 -5.221 2.230 7.616 1.00 0.30 C ATOM 444 C VAL A 32 -5.200 3.553 8.381 1.00 0.30 C ATOM 445 O VAL A 32 -5.991 4.448 8.094 1.00 0.35 O ATOM 446 CB VAL A 32 -4.749 2.326 6.160 1.00 0.30 C ATOM 447 CG1 VAL A 32 -5.848 2.464 5.122 1.00 0.35 C ATOM 448 CG2 VAL A 32 -3.711 3.426 5.942 1.00 0.33 C ATOM 0 H VAL A 32 -6.980 1.553 6.765 1.00 0.34 H new ATOM 0 HA VAL A 32 -4.492 1.598 8.123 1.00 0.30 H new ATOM 0 HB VAL A 32 -4.290 1.351 6.000 1.00 0.30 H new ATOM 0 HG11 VAL A 32 -5.404 2.524 4.128 1.00 0.35 H new ATOM 0 HG12 VAL A 32 -6.508 1.598 5.173 1.00 0.35 H new ATOM 0 HG13 VAL A 32 -6.422 3.370 5.318 1.00 0.35 H new ATOM 0 HG21 VAL A 32 -3.416 3.445 4.893 1.00 0.33 H new ATOM 0 HG22 VAL A 32 -4.140 4.390 6.216 1.00 0.33 H new ATOM 0 HG23 VAL A 32 -2.836 3.229 6.562 1.00 0.33 H new ATOM 458 N ASN A 33 -4.268 3.676 9.331 1.00 0.29 N ATOM 459 CA ASN A 33 -4.142 4.845 10.190 1.00 0.36 C ATOM 460 C ASN A 33 -3.054 5.750 9.629 1.00 0.34 C ATOM 461 O ASN A 33 -3.290 6.929 9.377 1.00 0.44 O ATOM 462 CB ASN A 33 -3.763 4.409 11.610 1.00 0.42 C ATOM 463 CG ASN A 33 -4.899 3.682 12.318 1.00 0.68 C ATOM 464 OD1 ASN A 33 -6.028 4.157 12.351 1.00 0.95 O ATOM 465 ND2 ASN A 33 -4.604 2.537 12.922 1.00 0.89 N ATOM 0 H ASN A 33 -3.574 2.954 9.523 1.00 0.29 H new ATOM 0 HA ASN A 33 -5.091 5.379 10.225 1.00 0.36 H new ATOM 0 HB2 ASN A 33 -2.890 3.758 11.566 1.00 0.42 H new ATOM 0 HB3 ASN A 33 -3.478 5.285 12.192 1.00 0.42 H new ATOM 0 HD21 ASN A 33 -5.327 2.028 13.431 1.00 0.89 H new ATOM 0 HD22 ASN A 33 -3.655 2.166 12.877 1.00 0.89 H new ATOM 472 N GLN A 34 -1.860 5.187 9.430 1.00 0.28 N ATOM 473 CA GLN A 34 -0.741 5.859 8.794 1.00 0.31 C ATOM 474 C GLN A 34 -0.353 4.968 7.616 1.00 0.28 C ATOM 475 O GLN A 34 -0.369 3.743 7.722 1.00 0.46 O ATOM 476 CB GLN A 34 0.391 6.078 9.815 1.00 0.39 C ATOM 477 CG GLN A 34 1.661 6.755 9.271 1.00 0.34 C ATOM 478 CD GLN A 34 1.645 8.264 9.507 1.00 0.53 C ATOM 479 OE1 GLN A 34 2.309 8.763 10.408 1.00 1.99 O ATOM 480 NE2 GLN A 34 0.880 9.013 8.717 1.00 1.87 N ATOM 0 H GLN A 34 -1.647 4.231 9.715 1.00 0.28 H new ATOM 0 HA GLN A 34 -0.982 6.858 8.430 1.00 0.31 H new ATOM 0 HB2 GLN A 34 0.003 6.682 10.635 1.00 0.39 H new ATOM 0 HB3 GLN A 34 0.669 5.111 10.234 1.00 0.39 H new ATOM 0 HG2 GLN A 34 2.538 6.321 9.751 1.00 0.34 H new ATOM 0 HG3 GLN A 34 1.751 6.555 8.203 1.00 0.34 H new ATOM 0 HE21 GLN A 34 0.335 8.578 7.973 1.00 1.87 H new ATOM 0 HE22 GLN A 34 0.838 10.023 8.856 1.00 1.87 H new ATOM 489 N VAL A 35 -0.076 5.587 6.472 1.00 0.25 N ATOM 490 CA VAL A 35 0.335 4.909 5.260 1.00 0.32 C ATOM 491 C VAL A 35 1.754 5.362 4.946 1.00 0.29 C ATOM 492 O VAL A 35 2.088 6.522 5.186 1.00 0.41 O ATOM 493 CB VAL A 35 -0.654 5.235 4.130 1.00 0.61 C ATOM 494 CG1 VAL A 35 -0.810 6.739 3.854 1.00 1.24 C ATOM 495 CG2 VAL A 35 -0.225 4.522 2.848 1.00 2.13 C ATOM 0 H VAL A 35 -0.135 6.600 6.366 1.00 0.25 H new ATOM 0 HA VAL A 35 0.330 3.825 5.376 1.00 0.32 H new ATOM 0 HB VAL A 35 -1.629 4.880 4.465 1.00 0.61 H new ATOM 0 HG11 VAL A 35 -1.524 6.888 3.044 1.00 1.24 H new ATOM 0 HG12 VAL A 35 -1.172 7.238 4.753 1.00 1.24 H new ATOM 0 HG13 VAL A 35 0.155 7.159 3.569 1.00 1.24 H new ATOM 0 HG21 VAL A 35 -0.929 4.755 2.049 1.00 2.13 H new ATOM 0 HG22 VAL A 35 0.772 4.856 2.562 1.00 2.13 H new ATOM 0 HG23 VAL A 35 -0.212 3.445 3.017 1.00 2.13 H new ATOM 505 N GLN A 36 2.582 4.459 4.420 1.00 0.25 N ATOM 506 CA GLN A 36 3.928 4.782 3.994 1.00 0.30 C ATOM 507 C GLN A 36 4.263 3.949 2.754 1.00 0.30 C ATOM 508 O GLN A 36 4.838 2.862 2.855 1.00 0.28 O ATOM 509 CB GLN A 36 4.881 4.527 5.165 1.00 0.30 C ATOM 510 CG GLN A 36 6.319 4.947 4.827 1.00 0.39 C ATOM 511 CD GLN A 36 7.326 4.474 5.867 1.00 0.61 C ATOM 512 OE1 GLN A 36 7.293 3.189 6.212 1.00 1.62 O flip ATOM 513 NE2 GLN A 36 8.154 5.241 6.339 1.00 0.58 N flip ATOM 0 H GLN A 36 2.329 3.481 4.280 1.00 0.25 H new ATOM 0 HA GLN A 36 4.027 5.831 3.714 1.00 0.30 H new ATOM 0 HB2 GLN A 36 4.537 5.077 6.041 1.00 0.30 H new ATOM 0 HB3 GLN A 36 4.862 3.469 5.426 1.00 0.30 H new ATOM 0 HG2 GLN A 36 6.592 4.543 3.852 1.00 0.39 H new ATOM 0 HG3 GLN A 36 6.367 6.033 4.747 1.00 0.39 H new ATOM 0 HE21 GLN A 36 8.159 6.222 6.059 1.00 0.58 H new ATOM 0 HE22 GLN A 36 8.839 4.900 7.013 1.00 0.58 H new ATOM 522 N VAL A 37 3.956 4.494 1.576 1.00 0.37 N ATOM 523 CA VAL A 37 4.315 3.925 0.294 1.00 0.34 C ATOM 524 C VAL A 37 5.653 4.561 -0.103 1.00 0.30 C ATOM 525 O VAL A 37 5.741 5.775 -0.279 1.00 0.43 O ATOM 526 CB VAL A 37 3.171 4.125 -0.726 1.00 0.53 C ATOM 527 CG1 VAL A 37 1.778 4.037 -0.097 1.00 1.64 C ATOM 528 CG2 VAL A 37 3.229 5.436 -1.507 1.00 1.35 C ATOM 0 H VAL A 37 3.436 5.368 1.495 1.00 0.37 H new ATOM 0 HA VAL A 37 4.448 2.844 0.332 1.00 0.34 H new ATOM 0 HB VAL A 37 3.334 3.297 -1.416 1.00 0.53 H new ATOM 0 HG11 VAL A 37 1.021 4.186 -0.867 1.00 1.64 H new ATOM 0 HG12 VAL A 37 1.645 3.055 0.357 1.00 1.64 H new ATOM 0 HG13 VAL A 37 1.675 4.807 0.667 1.00 1.64 H new ATOM 0 HG21 VAL A 37 2.387 5.486 -2.197 1.00 1.35 H new ATOM 0 HG22 VAL A 37 3.180 6.275 -0.813 1.00 1.35 H new ATOM 0 HG23 VAL A 37 4.162 5.484 -2.069 1.00 1.35 H new ATOM 538 N LEU A 38 6.720 3.761 -0.167 1.00 0.27 N ATOM 539 CA LEU A 38 8.040 4.210 -0.566 1.00 0.29 C ATOM 540 C LEU A 38 8.293 3.666 -1.970 1.00 0.27 C ATOM 541 O LEU A 38 8.856 2.584 -2.163 1.00 0.27 O ATOM 542 CB LEU A 38 9.087 3.779 0.465 1.00 0.32 C ATOM 543 CG LEU A 38 10.477 4.329 0.113 1.00 0.39 C ATOM 544 CD1 LEU A 38 10.564 5.859 0.209 1.00 0.55 C ATOM 545 CD2 LEU A 38 11.529 3.716 1.042 1.00 0.46 C ATOM 0 H LEU A 38 6.682 2.768 0.062 1.00 0.27 H new ATOM 0 HA LEU A 38 8.110 5.297 -0.599 1.00 0.29 H new ATOM 0 HB2 LEU A 38 8.794 4.132 1.454 1.00 0.32 H new ATOM 0 HB3 LEU A 38 9.126 2.691 0.514 1.00 0.32 H new ATOM 0 HG LEU A 38 10.664 4.054 -0.925 1.00 0.39 H new ATOM 0 HD11 LEU A 38 11.571 6.183 -0.052 1.00 0.55 H new ATOM 0 HD12 LEU A 38 9.848 6.308 -0.480 1.00 0.55 H new ATOM 0 HD13 LEU A 38 10.334 6.173 1.227 1.00 0.55 H new ATOM 0 HD21 LEU A 38 12.513 4.110 0.787 1.00 0.46 H new ATOM 0 HD22 LEU A 38 11.293 3.969 2.076 1.00 0.46 H new ATOM 0 HD23 LEU A 38 11.531 2.632 0.925 1.00 0.46 H new ATOM 557 N PHE A 39 7.826 4.440 -2.949 1.00 0.29 N ATOM 558 CA PHE A 39 8.052 4.184 -4.358 1.00 0.30 C ATOM 559 C PHE A 39 9.548 4.172 -4.674 1.00 0.31 C ATOM 560 O PHE A 39 10.363 4.589 -3.852 1.00 0.32 O ATOM 561 CB PHE A 39 7.320 5.251 -5.174 1.00 0.38 C ATOM 562 CG PHE A 39 8.010 6.595 -5.236 1.00 0.24 C ATOM 563 CD1 PHE A 39 7.777 7.584 -4.263 1.00 1.85 C ATOM 564 CD2 PHE A 39 8.845 6.873 -6.332 1.00 1.73 C ATOM 565 CE1 PHE A 39 8.265 8.885 -4.467 1.00 1.94 C ATOM 566 CE2 PHE A 39 9.307 8.176 -6.551 1.00 1.74 C ATOM 567 CZ PHE A 39 8.970 9.190 -5.644 1.00 0.62 C ATOM 0 H PHE A 39 7.270 5.277 -2.774 1.00 0.29 H new ATOM 0 HA PHE A 39 7.662 3.201 -4.621 1.00 0.30 H new ATOM 0 HB2 PHE A 39 7.187 4.881 -6.191 1.00 0.38 H new ATOM 0 HB3 PHE A 39 6.325 5.390 -4.752 1.00 0.38 H new ATOM 0 HD1 PHE A 39 7.227 7.344 -3.365 1.00 1.85 H new ATOM 0 HD2 PHE A 39 9.131 6.079 -7.007 1.00 1.73 H new ATOM 0 HE1 PHE A 39 8.099 9.649 -3.722 1.00 1.94 H new ATOM 0 HE2 PHE A 39 9.919 8.398 -7.413 1.00 1.74 H new ATOM 0 HZ PHE A 39 9.254 10.211 -5.851 1.00 0.62 H new ATOM 577 N ALA A 40 9.907 3.673 -5.861 1.00 0.35 N ATOM 578 CA ALA A 40 11.276 3.488 -6.336 1.00 0.36 C ATOM 579 C ALA A 40 11.950 2.334 -5.590 1.00 0.34 C ATOM 580 O ALA A 40 12.432 1.391 -6.207 1.00 0.52 O ATOM 581 CB ALA A 40 12.088 4.789 -6.294 1.00 0.42 C ATOM 0 H ALA A 40 9.215 3.374 -6.548 1.00 0.35 H new ATOM 0 HA ALA A 40 11.235 3.211 -7.389 1.00 0.36 H new ATOM 0 HB1 ALA A 40 13.098 4.599 -6.657 1.00 0.42 H new ATOM 0 HB2 ALA A 40 11.610 5.537 -6.927 1.00 0.42 H new ATOM 0 HB3 ALA A 40 12.134 5.156 -5.269 1.00 0.42 H new ATOM 587 N THR A 41 11.911 2.359 -4.256 1.00 0.31 N ATOM 588 CA THR A 41 12.320 1.264 -3.389 1.00 0.32 C ATOM 589 C THR A 41 11.356 0.063 -3.457 1.00 0.37 C ATOM 590 O THR A 41 11.563 -0.915 -2.745 1.00 0.77 O ATOM 591 CB THR A 41 12.443 1.817 -1.960 1.00 0.53 C ATOM 592 OG1 THR A 41 12.948 3.139 -2.007 1.00 0.97 O ATOM 593 CG2 THR A 41 13.381 0.992 -1.073 1.00 0.87 C ATOM 0 H THR A 41 11.582 3.173 -3.737 1.00 0.31 H new ATOM 0 HA THR A 41 13.281 0.877 -3.726 1.00 0.32 H new ATOM 0 HB THR A 41 11.443 1.777 -1.528 1.00 0.53 H new ATOM 0 HG1 THR A 41 13.322 3.378 -1.133 1.00 0.97 H new ATOM 0 HG21 THR A 41 13.424 1.435 -0.078 1.00 0.87 H new ATOM 0 HG22 THR A 41 13.008 -0.029 -1.000 1.00 0.87 H new ATOM 0 HG23 THR A 41 14.380 0.983 -1.509 1.00 0.87 H new ATOM 601 N GLU A 42 10.311 0.119 -4.296 1.00 0.39 N ATOM 602 CA GLU A 42 9.436 -1.012 -4.588 1.00 0.45 C ATOM 603 C GLU A 42 8.703 -1.508 -3.342 1.00 0.38 C ATOM 604 O GLU A 42 8.359 -2.685 -3.299 1.00 0.51 O ATOM 605 CB GLU A 42 10.247 -2.147 -5.266 1.00 0.70 C ATOM 606 CG GLU A 42 9.356 -3.008 -6.171 1.00 1.32 C ATOM 607 CD GLU A 42 9.949 -4.350 -6.581 1.00 2.52 C ATOM 608 OE1 GLU A 42 10.002 -5.248 -5.712 1.00 3.61 O ATOM 609 OE2 GLU A 42 10.267 -4.483 -7.782 1.00 3.28 O ATOM 0 H GLU A 42 10.051 0.969 -4.796 1.00 0.39 H new ATOM 0 HA GLU A 42 8.665 -0.675 -5.281 1.00 0.45 H new ATOM 0 HB2 GLU A 42 11.057 -1.716 -5.854 1.00 0.70 H new ATOM 0 HB3 GLU A 42 10.706 -2.774 -4.502 1.00 0.70 H new ATOM 0 HG2 GLU A 42 8.411 -3.188 -5.658 1.00 1.32 H new ATOM 0 HG3 GLU A 42 9.126 -2.440 -7.073 1.00 1.32 H new ATOM 616 N LYS A 43 8.399 -0.659 -2.347 1.00 0.28 N ATOM 617 CA LYS A 43 7.637 -1.159 -1.215 1.00 0.34 C ATOM 618 C LYS A 43 6.662 -0.159 -0.643 1.00 0.34 C ATOM 619 O LYS A 43 6.791 1.055 -0.795 1.00 0.57 O ATOM 620 CB LYS A 43 8.535 -1.796 -0.143 1.00 0.50 C ATOM 621 CG LYS A 43 9.375 -0.863 0.743 1.00 1.01 C ATOM 622 CD LYS A 43 8.589 -0.066 1.800 1.00 0.88 C ATOM 623 CE LYS A 43 9.539 0.488 2.873 1.00 1.68 C ATOM 624 NZ LYS A 43 8.842 1.383 3.821 1.00 2.87 N ATOM 0 H LYS A 43 8.658 0.327 -2.309 1.00 0.28 H new ATOM 0 HA LYS A 43 7.013 -1.957 -1.616 1.00 0.34 H new ATOM 0 HB2 LYS A 43 7.901 -2.395 0.510 1.00 0.50 H new ATOM 0 HB3 LYS A 43 9.217 -2.483 -0.644 1.00 0.50 H new ATOM 0 HG2 LYS A 43 10.133 -1.459 1.252 1.00 1.01 H new ATOM 0 HG3 LYS A 43 9.903 -0.158 0.100 1.00 1.01 H new ATOM 0 HD2 LYS A 43 8.054 0.754 1.322 1.00 0.88 H new ATOM 0 HD3 LYS A 43 7.840 -0.707 2.265 1.00 0.88 H new ATOM 0 HE2 LYS A 43 9.990 -0.340 3.421 1.00 1.68 H new ATOM 0 HE3 LYS A 43 10.352 1.032 2.392 1.00 1.68 H new ATOM 0 HZ1 LYS A 43 9.305 1.332 4.751 1.00 2.87 H new ATOM 0 HZ2 LYS A 43 8.881 2.361 3.468 1.00 2.87 H new ATOM 0 HZ3 LYS A 43 7.849 1.087 3.912 1.00 2.87 H new ATOM 638 N LEU A 44 5.684 -0.708 0.062 1.00 0.19 N ATOM 639 CA LEU A 44 4.684 0.002 0.797 1.00 0.17 C ATOM 640 C LEU A 44 4.572 -0.721 2.130 1.00 0.19 C ATOM 641 O LEU A 44 4.788 -1.922 2.190 1.00 0.29 O ATOM 642 CB LEU A 44 3.423 0.023 -0.075 1.00 0.22 C ATOM 643 CG LEU A 44 2.100 -0.155 0.632 1.00 0.43 C ATOM 644 CD1 LEU A 44 1.847 0.822 1.746 1.00 0.57 C ATOM 645 CD2 LEU A 44 0.961 -0.084 -0.373 1.00 0.65 C ATOM 0 H LEU A 44 5.573 -1.720 0.131 1.00 0.19 H new ATOM 0 HA LEU A 44 4.898 1.047 1.022 1.00 0.17 H new ATOM 0 HB2 LEU A 44 3.397 0.972 -0.610 1.00 0.22 H new ATOM 0 HB3 LEU A 44 3.516 -0.763 -0.824 1.00 0.22 H new ATOM 0 HG LEU A 44 2.150 -1.138 1.100 1.00 0.43 H new ATOM 0 HD11 LEU A 44 0.875 0.618 2.195 1.00 0.57 H new ATOM 0 HD12 LEU A 44 2.625 0.720 2.503 1.00 0.57 H new ATOM 0 HD13 LEU A 44 1.858 1.837 1.349 1.00 0.57 H new ATOM 0 HD21 LEU A 44 0.010 -0.213 0.145 1.00 0.65 H new ATOM 0 HD22 LEU A 44 0.974 0.886 -0.870 1.00 0.65 H new ATOM 0 HD23 LEU A 44 1.081 -0.874 -1.115 1.00 0.65 H new ATOM 657 N VAL A 45 4.303 0.041 3.183 1.00 0.23 N ATOM 658 CA VAL A 45 4.155 -0.297 4.567 1.00 0.24 C ATOM 659 C VAL A 45 2.893 0.457 4.973 1.00 0.22 C ATOM 660 O VAL A 45 2.771 1.648 4.672 1.00 0.28 O ATOM 661 CB VAL A 45 5.396 0.201 5.329 1.00 0.26 C ATOM 662 CG1 VAL A 45 5.059 0.533 6.785 1.00 0.31 C ATOM 663 CG2 VAL A 45 6.529 -0.829 5.269 1.00 0.37 C ATOM 0 H VAL A 45 4.168 1.043 3.051 1.00 0.23 H new ATOM 0 HA VAL A 45 4.072 -1.364 4.774 1.00 0.24 H new ATOM 0 HB VAL A 45 5.733 1.115 4.840 1.00 0.26 H new ATOM 0 HG11 VAL A 45 5.957 0.882 7.296 1.00 0.31 H new ATOM 0 HG12 VAL A 45 4.299 1.314 6.814 1.00 0.31 H new ATOM 0 HG13 VAL A 45 4.681 -0.360 7.284 1.00 0.31 H new ATOM 0 HG21 VAL A 45 7.393 -0.451 5.815 1.00 0.37 H new ATOM 0 HG22 VAL A 45 6.195 -1.764 5.719 1.00 0.37 H new ATOM 0 HG23 VAL A 45 6.806 -1.005 4.230 1.00 0.37 H new ATOM 673 N VAL A 46 1.942 -0.237 5.588 1.00 0.26 N ATOM 674 CA VAL A 46 0.773 0.385 6.179 1.00 0.16 C ATOM 675 C VAL A 46 0.837 0.136 7.674 1.00 0.21 C ATOM 676 O VAL A 46 1.241 -0.952 8.085 1.00 0.39 O ATOM 677 CB VAL A 46 -0.514 -0.196 5.577 1.00 0.33 C ATOM 678 CG1 VAL A 46 -1.727 0.352 6.323 1.00 0.85 C ATOM 679 CG2 VAL A 46 -0.641 0.178 4.100 1.00 0.30 C ATOM 0 H VAL A 46 1.965 -1.252 5.689 1.00 0.26 H new ATOM 0 HA VAL A 46 0.762 1.456 5.974 1.00 0.16 H new ATOM 0 HB VAL A 46 -0.470 -1.281 5.671 1.00 0.33 H new ATOM 0 HG11 VAL A 46 -2.638 -0.064 5.892 1.00 0.85 H new ATOM 0 HG12 VAL A 46 -1.664 0.073 7.375 1.00 0.85 H new ATOM 0 HG13 VAL A 46 -1.747 1.438 6.236 1.00 0.85 H new ATOM 0 HG21 VAL A 46 -1.561 -0.245 3.695 1.00 0.30 H new ATOM 0 HG22 VAL A 46 -0.666 1.263 4.000 1.00 0.30 H new ATOM 0 HG23 VAL A 46 0.213 -0.217 3.550 1.00 0.30 H new ATOM 689 N ASP A 47 0.412 1.127 8.452 1.00 0.16 N ATOM 690 CA ASP A 47 0.213 1.027 9.877 1.00 0.20 C ATOM 691 C ASP A 47 -1.295 1.124 10.076 1.00 0.21 C ATOM 692 O ASP A 47 -1.897 2.184 9.872 1.00 0.28 O ATOM 693 CB ASP A 47 0.976 2.150 10.569 1.00 0.31 C ATOM 694 CG ASP A 47 2.483 1.992 10.409 1.00 1.00 C ATOM 695 OD1 ASP A 47 3.020 1.037 11.009 1.00 1.66 O ATOM 696 OD2 ASP A 47 3.069 2.816 9.673 1.00 2.12 O ATOM 0 H ASP A 47 0.191 2.052 8.084 1.00 0.16 H new ATOM 0 HA ASP A 47 0.587 0.098 10.308 1.00 0.20 H new ATOM 0 HB2 ASP A 47 0.665 3.109 10.155 1.00 0.31 H new ATOM 0 HB3 ASP A 47 0.722 2.163 11.629 1.00 0.31 H new ATOM 701 N ALA A 48 -1.915 -0.011 10.399 1.00 0.24 N ATOM 702 CA ALA A 48 -3.349 -0.137 10.597 1.00 0.30 C ATOM 703 C ALA A 48 -3.551 -0.837 11.932 1.00 0.50 C ATOM 704 O ALA A 48 -2.743 -1.685 12.306 1.00 0.92 O ATOM 705 CB ALA A 48 -3.965 -0.946 9.452 1.00 0.35 C ATOM 0 H ALA A 48 -1.415 -0.890 10.533 1.00 0.24 H new ATOM 0 HA ALA A 48 -3.837 0.838 10.604 1.00 0.30 H new ATOM 0 HB1 ALA A 48 -5.040 -1.036 9.607 1.00 0.35 H new ATOM 0 HB2 ALA A 48 -3.776 -0.439 8.506 1.00 0.35 H new ATOM 0 HB3 ALA A 48 -3.518 -1.940 9.427 1.00 0.35 H new ATOM 711 N ASP A 49 -4.609 -0.477 12.657 1.00 0.41 N ATOM 712 CA ASP A 49 -4.876 -1.031 13.985 1.00 0.57 C ATOM 713 C ASP A 49 -6.158 -1.848 13.934 1.00 0.68 C ATOM 714 O ASP A 49 -7.128 -1.579 14.637 1.00 0.74 O ATOM 715 CB ASP A 49 -4.947 0.094 15.024 1.00 0.65 C ATOM 716 CG ASP A 49 -4.964 -0.460 16.443 1.00 2.07 C ATOM 717 OD1 ASP A 49 -4.298 -1.496 16.658 1.00 2.99 O ATOM 718 OD2 ASP A 49 -5.564 0.201 17.316 1.00 3.21 O ATOM 0 H ASP A 49 -5.302 0.203 12.344 1.00 0.41 H new ATOM 0 HA ASP A 49 -4.064 -1.692 14.287 1.00 0.57 H new ATOM 0 HB2 ASP A 49 -4.092 0.759 14.902 1.00 0.65 H new ATOM 0 HB3 ASP A 49 -5.842 0.692 14.854 1.00 0.65 H new ATOM 723 N ASN A 50 -6.155 -2.827 13.028 1.00 0.76 N ATOM 724 CA ASN A 50 -7.282 -3.644 12.612 1.00 0.72 C ATOM 725 C ASN A 50 -6.788 -4.355 11.346 1.00 0.70 C ATOM 726 O ASN A 50 -5.599 -4.690 11.262 1.00 1.64 O ATOM 727 CB ASN A 50 -8.594 -2.833 12.457 1.00 0.88 C ATOM 728 CG ASN A 50 -8.460 -1.487 11.742 1.00 2.10 C ATOM 729 OD1 ASN A 50 -7.407 -1.276 10.954 1.00 2.79 O flip ATOM 730 ND2 ASN A 50 -9.302 -0.613 11.914 1.00 3.26 N flip ATOM 0 H ASN A 50 -5.300 -3.083 12.534 1.00 0.76 H new ATOM 0 HA ASN A 50 -7.578 -4.376 13.364 1.00 0.72 H new ATOM 0 HB2 ASN A 50 -9.315 -3.443 11.912 1.00 0.88 H new ATOM 0 HB3 ASN A 50 -9.010 -2.657 13.449 1.00 0.88 H new ATOM 0 HD21 ASN A 50 -10.103 -0.789 12.520 1.00 3.26 H new ATOM 0 HD22 ASN A 50 -9.202 0.290 11.451 1.00 3.26 H new ATOM 737 N ASP A 51 -7.644 -4.556 10.346 1.00 0.42 N ATOM 738 CA ASP A 51 -7.444 -5.600 9.365 1.00 0.59 C ATOM 739 C ASP A 51 -7.794 -5.102 7.975 1.00 0.46 C ATOM 740 O ASP A 51 -8.970 -4.906 7.669 1.00 0.76 O ATOM 741 CB ASP A 51 -8.393 -6.731 9.720 1.00 0.96 C ATOM 742 CG ASP A 51 -8.263 -7.872 8.712 1.00 1.67 C ATOM 743 OD1 ASP A 51 -7.202 -7.929 8.048 1.00 1.71 O ATOM 744 OD2 ASP A 51 -9.224 -8.662 8.625 1.00 3.02 O ATOM 0 H ASP A 51 -8.487 -4.000 10.201 1.00 0.42 H new ATOM 0 HA ASP A 51 -6.402 -5.920 9.369 1.00 0.59 H new ATOM 0 HB2 ASP A 51 -8.174 -7.097 10.723 1.00 0.96 H new ATOM 0 HB3 ASP A 51 -9.419 -6.363 9.732 1.00 0.96 H new ATOM 749 N ILE A 52 -6.780 -4.868 7.144 1.00 0.46 N ATOM 750 CA ILE A 52 -7.003 -4.344 5.814 1.00 0.42 C ATOM 751 C ILE A 52 -5.977 -4.802 4.791 1.00 0.44 C ATOM 752 O ILE A 52 -6.031 -4.314 3.675 1.00 0.37 O ATOM 753 CB ILE A 52 -7.030 -2.810 5.856 1.00 0.45 C ATOM 754 CG1 ILE A 52 -5.836 -2.198 6.602 1.00 0.53 C ATOM 755 CG2 ILE A 52 -8.289 -2.301 6.530 1.00 0.48 C ATOM 756 CD1 ILE A 52 -4.615 -2.123 5.702 1.00 0.62 C ATOM 0 H ILE A 52 -5.801 -5.035 7.375 1.00 0.46 H new ATOM 0 HA ILE A 52 -7.965 -4.742 5.490 1.00 0.42 H new ATOM 0 HB ILE A 52 -6.989 -2.503 4.811 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -6.095 -1.199 6.954 1.00 0.53 H new ATOM 0 HG13 ILE A 52 -5.607 -2.797 7.483 1.00 0.53 H new ATOM 0 HG21 ILE A 52 -8.279 -1.211 6.544 1.00 0.48 H new ATOM 0 HG22 ILE A 52 -9.163 -2.649 5.979 1.00 0.48 H new ATOM 0 HG23 ILE A 52 -8.332 -2.677 7.552 1.00 0.48 H new ATOM 0 HD11 ILE A 52 -3.783 -1.686 6.254 1.00 0.62 H new ATOM 0 HD12 ILE A 52 -4.344 -3.126 5.371 1.00 0.62 H new ATOM 0 HD13 ILE A 52 -4.840 -1.503 4.834 1.00 0.62 H new ATOM 768 N ARG A 53 -5.019 -5.675 5.105 1.00 0.63 N ATOM 769 CA ARG A 53 -3.908 -5.892 4.164 1.00 0.50 C ATOM 770 C ARG A 53 -4.448 -6.408 2.840 1.00 0.35 C ATOM 771 O ARG A 53 -4.164 -5.848 1.787 1.00 0.22 O ATOM 772 CB ARG A 53 -2.810 -6.820 4.677 1.00 0.58 C ATOM 773 CG ARG A 53 -2.711 -6.807 6.196 1.00 0.67 C ATOM 774 CD ARG A 53 -1.534 -7.638 6.683 1.00 1.19 C ATOM 775 NE ARG A 53 -1.873 -8.133 8.028 1.00 1.73 N ATOM 776 CZ ARG A 53 -1.666 -9.349 8.548 1.00 2.19 C ATOM 777 NH1 ARG A 53 -0.960 -10.265 7.879 1.00 2.29 N ATOM 778 NH2 ARG A 53 -2.188 -9.622 9.750 1.00 2.78 N ATOM 0 H ARG A 53 -4.982 -6.224 5.964 1.00 0.63 H new ATOM 0 HA ARG A 53 -3.433 -4.919 4.037 1.00 0.50 H new ATOM 0 HB2 ARG A 53 -3.007 -7.836 4.336 1.00 0.58 H new ATOM 0 HB3 ARG A 53 -1.853 -6.520 4.249 1.00 0.58 H new ATOM 0 HG2 ARG A 53 -2.603 -5.780 6.546 1.00 0.67 H new ATOM 0 HG3 ARG A 53 -3.635 -7.195 6.626 1.00 0.67 H new ATOM 0 HD2 ARG A 53 -1.344 -8.469 6.004 1.00 1.19 H new ATOM 0 HD3 ARG A 53 -0.625 -7.037 6.713 1.00 1.19 H new ATOM 0 HE ARG A 53 -2.326 -7.459 8.646 1.00 1.73 H new ATOM 0 HH11 ARG A 53 -0.573 -10.041 6.962 1.00 2.29 H new ATOM 0 HH12 ARG A 53 -0.808 -11.188 8.285 1.00 2.29 H new ATOM 0 HH21 ARG A 53 -2.727 -8.912 10.245 1.00 2.78 H new ATOM 0 HH22 ARG A 53 -2.046 -10.540 10.171 1.00 2.78 H new ATOM 792 N ALA A 54 -5.299 -7.429 2.942 1.00 0.44 N ATOM 793 CA ALA A 54 -6.041 -7.991 1.830 1.00 0.37 C ATOM 794 C ALA A 54 -6.827 -6.899 1.083 1.00 0.30 C ATOM 795 O ALA A 54 -6.909 -6.890 -0.146 1.00 0.42 O ATOM 796 CB ALA A 54 -6.912 -9.115 2.373 1.00 0.43 C ATOM 0 H ALA A 54 -5.492 -7.896 3.828 1.00 0.44 H new ATOM 0 HA ALA A 54 -5.370 -8.412 1.081 1.00 0.37 H new ATOM 0 HB1 ALA A 54 -7.484 -9.558 1.558 1.00 0.43 H new ATOM 0 HB2 ALA A 54 -6.280 -9.877 2.829 1.00 0.43 H new ATOM 0 HB3 ALA A 54 -7.597 -8.716 3.121 1.00 0.43 H new ATOM 802 N GLN A 55 -7.362 -5.930 1.833 1.00 0.26 N ATOM 803 CA GLN A 55 -7.965 -4.730 1.278 1.00 0.24 C ATOM 804 C GLN A 55 -6.944 -3.906 0.491 1.00 0.22 C ATOM 805 O GLN A 55 -7.221 -3.522 -0.642 1.00 0.23 O ATOM 806 CB GLN A 55 -8.651 -3.890 2.370 1.00 0.40 C ATOM 807 CG GLN A 55 -10.177 -3.920 2.265 1.00 0.66 C ATOM 808 CD GLN A 55 -10.724 -5.291 2.646 1.00 1.68 C ATOM 809 OE1 GLN A 55 -11.163 -6.051 1.790 1.00 3.24 O ATOM 810 NE2 GLN A 55 -10.693 -5.621 3.935 1.00 1.55 N ATOM 0 H GLN A 55 -7.385 -5.964 2.852 1.00 0.26 H new ATOM 0 HA GLN A 55 -8.738 -5.044 0.577 1.00 0.24 H new ATOM 0 HB2 GLN A 55 -8.351 -4.260 3.350 1.00 0.40 H new ATOM 0 HB3 GLN A 55 -8.306 -2.858 2.300 1.00 0.40 H new ATOM 0 HG2 GLN A 55 -10.605 -3.159 2.918 1.00 0.66 H new ATOM 0 HG3 GLN A 55 -10.480 -3.674 1.247 1.00 0.66 H new ATOM 0 HE21 GLN A 55 -10.321 -4.964 4.621 1.00 1.55 H new ATOM 0 HE22 GLN A 55 -11.041 -6.531 4.237 1.00 1.55 H new ATOM 819 N VAL A 56 -5.776 -3.617 1.074 1.00 0.23 N ATOM 820 CA VAL A 56 -4.755 -2.819 0.421 1.00 0.20 C ATOM 821 C VAL A 56 -4.402 -3.474 -0.903 1.00 0.16 C ATOM 822 O VAL A 56 -4.368 -2.820 -1.940 1.00 0.18 O ATOM 823 CB VAL A 56 -3.469 -2.692 1.225 1.00 0.30 C ATOM 824 CG1 VAL A 56 -2.489 -1.747 0.514 1.00 0.31 C ATOM 825 CG2 VAL A 56 -3.764 -2.190 2.629 1.00 0.67 C ATOM 0 H VAL A 56 -5.520 -3.933 2.010 1.00 0.23 H new ATOM 0 HA VAL A 56 -5.171 -1.819 0.302 1.00 0.20 H new ATOM 0 HB VAL A 56 -3.010 -3.678 1.302 1.00 0.30 H new ATOM 0 HG11 VAL A 56 -1.573 -1.665 1.099 1.00 0.31 H new ATOM 0 HG12 VAL A 56 -2.254 -2.143 -0.474 1.00 0.31 H new ATOM 0 HG13 VAL A 56 -2.944 -0.762 0.411 1.00 0.31 H new ATOM 0 HG21 VAL A 56 -2.832 -2.106 3.189 1.00 0.67 H new ATOM 0 HG22 VAL A 56 -4.243 -1.213 2.573 1.00 0.67 H new ATOM 0 HG23 VAL A 56 -4.428 -2.891 3.134 1.00 0.67 H new ATOM 835 N GLU A 57 -4.100 -4.773 -0.855 1.00 0.19 N ATOM 836 CA GLU A 57 -3.597 -5.468 -2.015 1.00 0.26 C ATOM 837 C GLU A 57 -4.660 -5.537 -3.102 1.00 0.27 C ATOM 838 O GLU A 57 -4.373 -5.226 -4.257 1.00 0.31 O ATOM 839 CB GLU A 57 -2.983 -6.822 -1.635 1.00 0.37 C ATOM 840 CG GLU A 57 -3.936 -7.795 -0.960 1.00 0.72 C ATOM 841 CD GLU A 57 -3.201 -9.024 -0.439 1.00 1.49 C ATOM 842 OE1 GLU A 57 -2.225 -8.822 0.316 1.00 2.75 O ATOM 843 OE2 GLU A 57 -3.633 -10.138 -0.805 1.00 2.19 O ATOM 0 H GLU A 57 -4.199 -5.353 -0.022 1.00 0.19 H new ATOM 0 HA GLU A 57 -2.772 -4.900 -2.445 1.00 0.26 H new ATOM 0 HB2 GLU A 57 -2.588 -7.290 -2.537 1.00 0.37 H new ATOM 0 HB3 GLU A 57 -2.137 -6.646 -0.971 1.00 0.37 H new ATOM 0 HG2 GLU A 57 -4.443 -7.296 -0.134 1.00 0.72 H new ATOM 0 HG3 GLU A 57 -4.706 -8.103 -1.668 1.00 0.72 H new ATOM 850 N SER A 58 -5.902 -5.847 -2.720 1.00 0.27 N ATOM 851 CA SER A 58 -7.041 -5.674 -3.607 1.00 0.34 C ATOM 852 C SER A 58 -7.024 -4.258 -4.195 1.00 0.30 C ATOM 853 O SER A 58 -7.133 -4.088 -5.407 1.00 0.35 O ATOM 854 CB SER A 58 -8.340 -5.975 -2.846 1.00 0.41 C ATOM 855 OG SER A 58 -9.477 -5.956 -3.696 1.00 1.09 O ATOM 0 H SER A 58 -6.138 -6.219 -1.800 1.00 0.27 H new ATOM 0 HA SER A 58 -6.981 -6.375 -4.439 1.00 0.34 H new ATOM 0 HB2 SER A 58 -8.261 -6.952 -2.369 1.00 0.41 H new ATOM 0 HB3 SER A 58 -8.471 -5.242 -2.050 1.00 0.41 H new ATOM 0 HG SER A 58 -10.281 -6.154 -3.172 1.00 1.09 H new ATOM 861 N ALA A 59 -6.857 -3.232 -3.359 1.00 0.27 N ATOM 862 CA ALA A 59 -6.978 -1.842 -3.787 1.00 0.30 C ATOM 863 C ALA A 59 -5.915 -1.505 -4.832 1.00 0.27 C ATOM 864 O ALA A 59 -6.223 -0.987 -5.902 1.00 0.30 O ATOM 865 CB ALA A 59 -6.903 -0.891 -2.588 1.00 0.33 C ATOM 0 H ALA A 59 -6.635 -3.343 -2.370 1.00 0.27 H new ATOM 0 HA ALA A 59 -7.956 -1.711 -4.250 1.00 0.30 H new ATOM 0 HB1 ALA A 59 -6.996 0.139 -2.934 1.00 0.33 H new ATOM 0 HB2 ALA A 59 -7.714 -1.115 -1.895 1.00 0.33 H new ATOM 0 HB3 ALA A 59 -5.946 -1.019 -2.081 1.00 0.33 H new ATOM 871 N LEU A 60 -4.660 -1.824 -4.530 1.00 0.21 N ATOM 872 CA LEU A 60 -3.540 -1.642 -5.436 1.00 0.19 C ATOM 873 C LEU A 60 -3.752 -2.439 -6.720 1.00 0.23 C ATOM 874 O LEU A 60 -3.508 -1.934 -7.814 1.00 0.25 O ATOM 875 CB LEU A 60 -2.237 -2.045 -4.733 1.00 0.16 C ATOM 876 CG LEU A 60 -1.497 -0.792 -4.234 1.00 0.22 C ATOM 877 CD1 LEU A 60 -2.267 -0.138 -3.080 1.00 0.31 C ATOM 878 CD2 LEU A 60 -0.068 -1.105 -3.784 1.00 0.49 C ATOM 0 H LEU A 60 -4.392 -2.224 -3.631 1.00 0.21 H new ATOM 0 HA LEU A 60 -3.469 -0.590 -5.714 1.00 0.19 H new ATOM 0 HB2 LEU A 60 -2.456 -2.706 -3.894 1.00 0.16 H new ATOM 0 HB3 LEU A 60 -1.601 -2.603 -5.420 1.00 0.16 H new ATOM 0 HG LEU A 60 -1.439 -0.101 -5.075 1.00 0.22 H new ATOM 0 HD11 LEU A 60 -1.729 0.747 -2.739 1.00 0.31 H new ATOM 0 HD12 LEU A 60 -3.261 0.151 -3.423 1.00 0.31 H new ATOM 0 HD13 LEU A 60 -2.359 -0.846 -2.257 1.00 0.31 H new ATOM 0 HD21 LEU A 60 0.414 -0.190 -3.440 1.00 0.49 H new ATOM 0 HD22 LEU A 60 -0.093 -1.829 -2.970 1.00 0.49 H new ATOM 0 HD23 LEU A 60 0.495 -1.519 -4.621 1.00 0.49 H new ATOM 890 N GLN A 61 -4.216 -3.679 -6.605 1.00 0.28 N ATOM 891 CA GLN A 61 -4.491 -4.505 -7.764 1.00 0.36 C ATOM 892 C GLN A 61 -5.586 -3.876 -8.631 1.00 0.42 C ATOM 893 O GLN A 61 -5.464 -3.869 -9.853 1.00 0.48 O ATOM 894 CB GLN A 61 -4.807 -5.922 -7.291 1.00 0.38 C ATOM 895 CG GLN A 61 -4.999 -6.875 -8.468 1.00 0.58 C ATOM 896 CD GLN A 61 -4.904 -8.328 -8.019 1.00 1.04 C ATOM 897 OE1 GLN A 61 -5.907 -9.029 -7.934 1.00 1.49 O ATOM 898 NE2 GLN A 61 -3.691 -8.788 -7.725 1.00 1.34 N ATOM 0 H GLN A 61 -4.409 -4.132 -5.712 1.00 0.28 H new ATOM 0 HA GLN A 61 -3.617 -4.568 -8.413 1.00 0.36 H new ATOM 0 HB2 GLN A 61 -3.998 -6.284 -6.657 1.00 0.38 H new ATOM 0 HB3 GLN A 61 -5.710 -5.910 -6.680 1.00 0.38 H new ATOM 0 HG2 GLN A 61 -5.970 -6.697 -8.930 1.00 0.58 H new ATOM 0 HG3 GLN A 61 -4.243 -6.676 -9.228 1.00 0.58 H new ATOM 0 HE21 GLN A 61 -2.879 -8.176 -7.808 1.00 1.34 H new ATOM 0 HE22 GLN A 61 -3.572 -9.753 -7.417 1.00 1.34 H new ATOM 907 N LYS A 62 -6.628 -3.313 -8.013 1.00 0.44 N ATOM 908 CA LYS A 62 -7.656 -2.570 -8.740 1.00 0.51 C ATOM 909 C LYS A 62 -7.038 -1.341 -9.415 1.00 0.47 C ATOM 910 O LYS A 62 -7.304 -1.079 -10.586 1.00 0.53 O ATOM 911 CB LYS A 62 -8.819 -2.155 -7.819 1.00 0.66 C ATOM 912 CG LYS A 62 -9.977 -3.165 -7.771 1.00 0.93 C ATOM 913 CD LYS A 62 -9.643 -4.394 -6.916 1.00 1.57 C ATOM 914 CE LYS A 62 -10.749 -5.454 -6.910 1.00 2.35 C ATOM 915 NZ LYS A 62 -11.970 -4.977 -6.231 1.00 2.69 N ATOM 0 H LYS A 62 -6.780 -3.359 -7.006 1.00 0.44 H new ATOM 0 HA LYS A 62 -8.067 -3.228 -9.505 1.00 0.51 H new ATOM 0 HB2 LYS A 62 -8.435 -2.012 -6.809 1.00 0.66 H new ATOM 0 HB3 LYS A 62 -9.206 -1.192 -8.152 1.00 0.66 H new ATOM 0 HG2 LYS A 62 -10.865 -2.677 -7.370 1.00 0.93 H new ATOM 0 HG3 LYS A 62 -10.219 -3.485 -8.784 1.00 0.93 H new ATOM 0 HD2 LYS A 62 -8.722 -4.844 -7.285 1.00 1.57 H new ATOM 0 HD3 LYS A 62 -9.453 -4.073 -5.892 1.00 1.57 H new ATOM 0 HE2 LYS A 62 -10.990 -5.732 -7.936 1.00 2.35 H new ATOM 0 HE3 LYS A 62 -10.386 -6.354 -6.413 1.00 2.35 H new ATOM 0 HZ1 LYS A 62 -12.692 -5.725 -6.250 1.00 2.69 H new ATOM 0 HZ2 LYS A 62 -11.747 -4.736 -5.244 1.00 2.69 H new ATOM 0 HZ3 LYS A 62 -12.332 -4.134 -6.720 1.00 2.69 H new ATOM 929 N ALA A 63 -6.233 -0.573 -8.675 1.00 0.42 N ATOM 930 CA ALA A 63 -5.572 0.619 -9.194 1.00 0.42 C ATOM 931 C ALA A 63 -4.657 0.276 -10.376 1.00 0.39 C ATOM 932 O ALA A 63 -4.554 1.058 -11.318 1.00 0.45 O ATOM 933 CB ALA A 63 -4.803 1.318 -8.070 1.00 0.41 C ATOM 0 H ALA A 63 -6.023 -0.765 -7.695 1.00 0.42 H new ATOM 0 HA ALA A 63 -6.331 1.306 -9.569 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.311 2.208 -8.464 1.00 0.41 H new ATOM 0 HB2 ALA A 63 -5.496 1.606 -7.280 1.00 0.41 H new ATOM 0 HB3 ALA A 63 -4.053 0.638 -7.665 1.00 0.41 H new ATOM 939 N GLY A 64 -4.012 -0.892 -10.320 1.00 0.35 N ATOM 940 CA GLY A 64 -3.262 -1.488 -11.416 1.00 0.37 C ATOM 941 C GLY A 64 -1.813 -1.775 -11.027 1.00 0.34 C ATOM 942 O GLY A 64 -0.905 -1.498 -11.808 1.00 0.43 O ATOM 0 H GLY A 64 -4.001 -1.466 -9.477 1.00 0.35 H new ATOM 0 HA2 GLY A 64 -3.745 -2.415 -11.724 1.00 0.37 H new ATOM 0 HA3 GLY A 64 -3.281 -0.818 -12.275 1.00 0.37 H new ATOM 946 N TYR A 65 -1.588 -2.334 -9.833 1.00 0.30 N ATOM 947 CA TYR A 65 -0.274 -2.694 -9.327 1.00 0.29 C ATOM 948 C TYR A 65 -0.195 -4.187 -9.005 1.00 0.36 C ATOM 949 O TYR A 65 -1.208 -4.864 -8.850 1.00 0.63 O ATOM 950 CB TYR A 65 0.005 -1.877 -8.068 1.00 0.27 C ATOM 951 CG TYR A 65 0.239 -0.404 -8.314 1.00 0.29 C ATOM 952 CD1 TYR A 65 1.500 0.044 -8.747 1.00 1.84 C ATOM 953 CD2 TYR A 65 -0.801 0.518 -8.108 1.00 1.60 C ATOM 954 CE1 TYR A 65 1.727 1.415 -8.947 1.00 2.00 C ATOM 955 CE2 TYR A 65 -0.574 1.890 -8.307 1.00 1.51 C ATOM 956 CZ TYR A 65 0.693 2.338 -8.723 1.00 0.64 C ATOM 957 OH TYR A 65 0.943 3.670 -8.858 1.00 0.88 O ATOM 0 H TYR A 65 -2.341 -2.551 -9.180 1.00 0.30 H new ATOM 0 HA TYR A 65 0.472 -2.479 -10.092 1.00 0.29 H new ATOM 0 HB2 TYR A 65 -0.836 -1.989 -7.384 1.00 0.27 H new ATOM 0 HB3 TYR A 65 0.880 -2.292 -7.568 1.00 0.27 H new ATOM 0 HD1 TYR A 65 2.294 -0.667 -8.926 1.00 1.84 H new ATOM 0 HD2 TYR A 65 -1.775 0.172 -7.797 1.00 1.60 H new ATOM 0 HE1 TYR A 65 2.697 1.760 -9.273 1.00 2.00 H new ATOM 0 HE2 TYR A 65 -1.371 2.600 -8.141 1.00 1.51 H new ATOM 0 HH TYR A 65 0.126 4.177 -8.670 1.00 0.88 H new ATOM 967 N SER A 66 1.033 -4.690 -8.892 1.00 0.32 N ATOM 968 CA SER A 66 1.378 -6.095 -8.782 1.00 0.39 C ATOM 969 C SER A 66 2.152 -6.348 -7.486 1.00 0.41 C ATOM 970 O SER A 66 3.291 -6.812 -7.516 1.00 0.62 O ATOM 971 CB SER A 66 2.224 -6.414 -10.018 1.00 0.60 C ATOM 972 OG SER A 66 3.116 -5.331 -10.248 1.00 2.62 O ATOM 0 H SER A 66 1.857 -4.088 -8.874 1.00 0.32 H new ATOM 0 HA SER A 66 0.496 -6.734 -8.743 1.00 0.39 H new ATOM 0 HB2 SER A 66 2.782 -7.338 -9.867 1.00 0.60 H new ATOM 0 HB3 SER A 66 1.583 -6.567 -10.886 1.00 0.60 H new ATOM 0 HG SER A 66 3.666 -5.522 -11.036 1.00 2.62 H new ATOM 978 N LEU A 67 1.533 -6.047 -6.340 1.00 0.28 N ATOM 979 CA LEU A 67 2.181 -6.251 -5.048 1.00 0.30 C ATOM 980 C LEU A 67 2.117 -7.695 -4.554 1.00 0.31 C ATOM 981 O LEU A 67 1.429 -8.535 -5.133 1.00 0.35 O ATOM 982 CB LEU A 67 1.846 -5.179 -3.997 1.00 0.34 C ATOM 983 CG LEU A 67 0.683 -5.485 -3.066 1.00 0.61 C ATOM 984 CD1 LEU A 67 0.253 -4.215 -2.349 1.00 1.72 C ATOM 985 CD2 LEU A 67 -0.472 -6.014 -3.879 1.00 1.50 C ATOM 0 H LEU A 67 0.589 -5.664 -6.284 1.00 0.28 H new ATOM 0 HA LEU A 67 3.243 -6.087 -5.231 1.00 0.30 H new ATOM 0 HB2 LEU A 67 2.734 -5.007 -3.389 1.00 0.34 H new ATOM 0 HB3 LEU A 67 1.631 -4.246 -4.517 1.00 0.34 H new ATOM 0 HG LEU A 67 0.990 -6.228 -2.330 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -0.580 -4.438 -1.683 1.00 1.72 H new ATOM 0 HD12 LEU A 67 1.088 -3.825 -1.767 1.00 1.72 H new ATOM 0 HD13 LEU A 67 -0.058 -3.471 -3.082 1.00 1.72 H new ATOM 0 HD21 LEU A 67 -1.310 -6.236 -3.219 1.00 1.50 H new ATOM 0 HD22 LEU A 67 -0.775 -5.265 -4.611 1.00 1.50 H new ATOM 0 HD23 LEU A 67 -0.167 -6.924 -4.396 1.00 1.50 H new ATOM 997 N ARG A 68 2.853 -7.981 -3.479 1.00 0.31 N ATOM 998 CA ARG A 68 2.861 -9.271 -2.817 1.00 0.37 C ATOM 999 C ARG A 68 3.153 -9.015 -1.339 1.00 0.34 C ATOM 1000 O ARG A 68 3.954 -8.130 -1.038 1.00 0.33 O ATOM 1001 CB ARG A 68 3.941 -10.146 -3.468 1.00 0.48 C ATOM 1002 CG ARG A 68 3.905 -11.610 -3.017 1.00 0.65 C ATOM 1003 CD ARG A 68 2.802 -12.404 -3.731 1.00 1.14 C ATOM 1004 NE ARG A 68 2.810 -13.811 -3.299 1.00 1.62 N ATOM 1005 CZ ARG A 68 2.237 -14.832 -3.959 1.00 2.45 C ATOM 1006 NH1 ARG A 68 1.552 -14.602 -5.084 1.00 3.17 N ATOM 1007 NH2 ARG A 68 2.356 -16.080 -3.491 1.00 3.27 N ATOM 0 H ARG A 68 3.473 -7.300 -3.040 1.00 0.31 H new ATOM 0 HA ARG A 68 1.908 -9.793 -2.910 1.00 0.37 H new ATOM 0 HB2 ARG A 68 3.824 -10.106 -4.551 1.00 0.48 H new ATOM 0 HB3 ARG A 68 4.921 -9.729 -3.238 1.00 0.48 H new ATOM 0 HG2 ARG A 68 4.871 -12.074 -3.214 1.00 0.65 H new ATOM 0 HG3 ARG A 68 3.744 -11.654 -1.940 1.00 0.65 H new ATOM 0 HD2 ARG A 68 1.830 -11.959 -3.518 1.00 1.14 H new ATOM 0 HD3 ARG A 68 2.948 -12.349 -4.810 1.00 1.14 H new ATOM 0 HE ARG A 68 3.290 -14.029 -2.426 1.00 1.62 H new ATOM 0 HH11 ARG A 68 1.464 -13.651 -5.442 1.00 3.17 H new ATOM 0 HH12 ARG A 68 1.118 -15.378 -5.584 1.00 3.17 H new ATOM 0 HH21 ARG A 68 2.881 -16.256 -2.634 1.00 3.27 H new ATOM 0 HH22 ARG A 68 1.922 -16.856 -3.991 1.00 3.27 H new ATOM 1021 N ASP A 69 2.484 -9.757 -0.446 1.00 0.41 N ATOM 1022 CA ASP A 69 2.637 -9.666 1.004 1.00 0.47 C ATOM 1023 C ASP A 69 4.097 -9.836 1.426 1.00 0.48 C ATOM 1024 O ASP A 69 4.776 -10.746 0.945 1.00 0.65 O ATOM 1025 CB ASP A 69 1.721 -10.696 1.678 1.00 0.65 C ATOM 1026 CG ASP A 69 1.908 -10.711 3.192 1.00 1.61 C ATOM 1027 OD1 ASP A 69 2.903 -11.333 3.626 1.00 2.72 O ATOM 1028 OD2 ASP A 69 1.067 -10.103 3.889 1.00 2.50 O ATOM 0 H ASP A 69 1.800 -10.459 -0.727 1.00 0.41 H new ATOM 0 HA ASP A 69 2.339 -8.670 1.331 1.00 0.47 H new ATOM 0 HB2 ASP A 69 0.682 -10.468 1.442 1.00 0.65 H new ATOM 0 HB3 ASP A 69 1.930 -11.687 1.276 1.00 0.65 H new ATOM 1033 N GLU A 70 4.557 -8.953 2.318 1.00 0.48 N ATOM 1034 CA GLU A 70 5.834 -9.060 3.003 1.00 0.54 C ATOM 1035 C GLU A 70 5.609 -9.113 4.513 1.00 0.64 C ATOM 1036 O GLU A 70 6.113 -8.270 5.258 1.00 0.66 O ATOM 1037 CB GLU A 70 6.719 -7.870 2.656 1.00 0.58 C ATOM 1038 CG GLU A 70 7.202 -7.874 1.213 1.00 0.85 C ATOM 1039 CD GLU A 70 8.130 -6.687 1.019 1.00 1.06 C ATOM 1040 OE1 GLU A 70 7.723 -5.580 1.445 1.00 2.29 O ATOM 1041 OE2 GLU A 70 9.242 -6.926 0.497 1.00 1.90 O ATOM 0 H GLU A 70 4.030 -8.122 2.586 1.00 0.48 H new ATOM 0 HA GLU A 70 6.331 -9.975 2.680 1.00 0.54 H new ATOM 0 HB2 GLU A 70 6.166 -6.949 2.843 1.00 0.58 H new ATOM 0 HB3 GLU A 70 7.583 -7.864 3.320 1.00 0.58 H new ATOM 0 HG2 GLU A 70 7.724 -8.805 0.989 1.00 0.85 H new ATOM 0 HG3 GLU A 70 6.356 -7.811 0.529 1.00 0.85 H new