USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 ASN : amide:sc= 0.0423 X(o=0.087,f=-0.16) USER MOD Set 1.2: A 28 GLN : amide:sc= 0.045 X(o=0.087,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -95:sc= 1.26 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0818 USER MOD Single : A 13 MET CE :methyl 171:sc= -0.66 (180deg=-0.852) USER MOD Single : A 18 CYS SG : rot 127:sc= 0.815 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.14 X(o=0.14,f=-0.26) USER MOD Single : A 34 GLN : amide:sc= 0.345 K(o=0.35,f=-5.8!) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.255) USER MOD Single : A 50 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.66) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 91:sc= 1.04 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.225) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 2.259 -2.633 11.674 1.00 0.52 N ATOM 34 CA ARG A 5 2.698 -2.247 10.368 1.00 0.53 C ATOM 35 C ARG A 5 2.793 -3.524 9.552 1.00 0.33 C ATOM 36 O ARG A 5 3.344 -4.532 9.991 1.00 0.46 O ATOM 37 CB ARG A 5 3.992 -1.440 10.467 1.00 0.94 C ATOM 38 CG ARG A 5 5.292 -2.255 10.509 1.00 0.94 C ATOM 39 CD ARG A 5 5.729 -2.815 9.132 1.00 0.52 C ATOM 40 NE ARG A 5 7.197 -2.776 8.948 1.00 0.85 N ATOM 41 CZ ARG A 5 8.070 -3.665 9.458 1.00 1.14 C ATOM 42 NH1 ARG A 5 7.653 -4.560 10.345 1.00 2.83 N ATOM 43 NH2 ARG A 5 9.354 -3.673 9.091 1.00 1.27 N ATOM 0 HA ARG A 5 2.004 -1.576 9.861 1.00 0.53 H new ATOM 0 HB2 ARG A 5 4.039 -0.761 9.615 1.00 0.94 H new ATOM 0 HB3 ARG A 5 3.944 -0.823 11.364 1.00 0.94 H new ATOM 0 HG2 ARG A 5 6.090 -1.627 10.904 1.00 0.94 H new ATOM 0 HG3 ARG A 5 5.166 -3.085 11.204 1.00 0.94 H new ATOM 0 HD2 ARG A 5 5.380 -3.843 9.033 1.00 0.52 H new ATOM 0 HD3 ARG A 5 5.251 -2.239 8.340 1.00 0.52 H new ATOM 0 HE ARG A 5 7.579 -2.013 8.389 1.00 0.85 H new ATOM 0 HH11 ARG A 5 6.676 -4.572 10.637 1.00 2.83 H new ATOM 0 HH12 ARG A 5 8.310 -5.236 10.735 1.00 2.83 H new ATOM 0 HH21 ARG A 5 9.694 -2.995 8.409 1.00 1.27 H new ATOM 0 HH22 ARG A 5 9.995 -4.357 9.493 1.00 1.27 H new ATOM 57 N TYR A 6 2.211 -3.481 8.370 1.00 0.29 N ATOM 58 CA TYR A 6 2.325 -4.488 7.340 1.00 0.23 C ATOM 59 C TYR A 6 3.142 -3.893 6.192 1.00 0.26 C ATOM 60 O TYR A 6 3.290 -2.669 6.137 1.00 0.52 O ATOM 61 CB TYR A 6 0.918 -4.789 6.859 1.00 0.37 C ATOM 62 CG TYR A 6 -0.086 -5.236 7.895 1.00 0.53 C ATOM 63 CD1 TYR A 6 -0.257 -6.604 8.169 1.00 2.07 C ATOM 64 CD2 TYR A 6 -1.040 -4.311 8.352 1.00 1.57 C ATOM 65 CE1 TYR A 6 -1.362 -7.039 8.922 1.00 2.08 C ATOM 66 CE2 TYR A 6 -2.202 -4.763 8.986 1.00 1.68 C ATOM 67 CZ TYR A 6 -2.333 -6.113 9.341 1.00 0.86 C ATOM 68 OH TYR A 6 -3.486 -6.537 9.929 1.00 1.12 O ATOM 0 H TYR A 6 1.616 -2.701 8.090 1.00 0.29 H new ATOM 0 HA TYR A 6 2.808 -5.395 7.703 1.00 0.23 H new ATOM 0 HB2 TYR A 6 0.528 -3.894 6.375 1.00 0.37 H new ATOM 0 HB3 TYR A 6 0.981 -5.563 6.094 1.00 0.37 H new ATOM 0 HD1 TYR A 6 0.461 -7.322 7.801 1.00 2.07 H new ATOM 0 HD2 TYR A 6 -0.876 -3.252 8.214 1.00 1.57 H new ATOM 0 HE1 TYR A 6 -1.465 -8.083 9.178 1.00 2.08 H new ATOM 0 HE2 TYR A 6 -3.001 -4.070 9.203 1.00 1.68 H new ATOM 0 HH TYR A 6 -4.042 -5.762 10.156 1.00 1.12 H new ATOM 78 N SER A 7 3.645 -4.725 5.271 1.00 0.20 N ATOM 79 CA SER A 7 4.388 -4.265 4.101 1.00 0.16 C ATOM 80 C SER A 7 4.035 -5.100 2.878 1.00 0.16 C ATOM 81 O SER A 7 3.665 -6.266 3.018 1.00 0.23 O ATOM 82 CB SER A 7 5.899 -4.348 4.388 1.00 0.25 C ATOM 83 OG SER A 7 6.676 -3.698 3.394 1.00 1.68 O ATOM 0 H SER A 7 3.545 -5.739 5.321 1.00 0.20 H new ATOM 0 HA SER A 7 4.117 -3.230 3.893 1.00 0.16 H new ATOM 0 HB2 SER A 7 6.107 -3.898 5.359 1.00 0.25 H new ATOM 0 HB3 SER A 7 6.197 -5.395 4.451 1.00 0.25 H new ATOM 0 HG SER A 7 6.973 -4.354 2.730 1.00 1.68 H new ATOM 89 N TRP A 8 4.153 -4.490 1.696 1.00 0.13 N ATOM 90 CA TRP A 8 4.036 -5.146 0.405 1.00 0.17 C ATOM 91 C TRP A 8 5.188 -4.721 -0.491 1.00 0.17 C ATOM 92 O TRP A 8 5.588 -3.558 -0.448 1.00 0.18 O ATOM 93 CB TRP A 8 2.700 -4.785 -0.254 1.00 0.23 C ATOM 94 CG TRP A 8 1.551 -5.090 0.637 1.00 0.20 C ATOM 95 CD1 TRP A 8 1.074 -6.319 0.868 1.00 0.29 C ATOM 96 CD2 TRP A 8 0.957 -4.294 1.684 1.00 0.30 C ATOM 97 NE1 TRP A 8 0.510 -6.319 2.135 1.00 0.38 N ATOM 98 CE2 TRP A 8 0.775 -5.121 2.809 1.00 0.42 C ATOM 99 CE3 TRP A 8 0.106 -3.178 1.729 1.00 0.36 C ATOM 100 CZ2 TRP A 8 0.379 -4.452 4.003 1.00 0.47 C ATOM 101 CZ3 TRP A 8 -1.022 -3.305 2.588 1.00 0.40 C ATOM 102 CH2 TRP A 8 -0.702 -3.580 3.889 1.00 0.36 C ATOM 0 H TRP A 8 4.339 -3.490 1.616 1.00 0.13 H new ATOM 0 HA TRP A 8 4.073 -6.226 0.551 1.00 0.17 H new ATOM 0 HB2 TRP A 8 2.693 -3.725 -0.507 1.00 0.23 H new ATOM 0 HB3 TRP A 8 2.593 -5.337 -1.188 1.00 0.23 H new ATOM 0 HD1 TRP A 8 1.120 -7.159 0.190 1.00 0.29 H new ATOM 0 HE1 TRP A 8 -0.029 -7.092 2.525 1.00 0.38 H new ATOM 0 HE3 TRP A 8 0.294 -2.285 1.152 1.00 0.36 H new ATOM 0 HZ2 TRP A 8 0.887 -4.612 4.942 1.00 0.47 H new ATOM 0 HZ3 TRP A 8 -2.039 -3.194 2.243 1.00 0.40 H new ATOM 0 HH2 TRP A 8 -1.230 -3.166 4.736 1.00 0.36 H new ATOM 113 N LYS A 9 5.652 -5.651 -1.331 1.00 0.21 N ATOM 114 CA LYS A 9 6.672 -5.426 -2.353 1.00 0.24 C ATOM 115 C LYS A 9 5.967 -5.435 -3.688 1.00 0.37 C ATOM 116 O LYS A 9 5.217 -6.369 -3.966 1.00 0.55 O ATOM 117 CB LYS A 9 7.787 -6.481 -2.290 1.00 0.38 C ATOM 118 CG LYS A 9 7.310 -7.946 -2.284 1.00 0.75 C ATOM 119 CD LYS A 9 8.426 -8.894 -1.816 1.00 0.88 C ATOM 120 CE LYS A 9 9.532 -9.120 -2.856 1.00 1.29 C ATOM 121 NZ LYS A 9 9.131 -10.089 -3.894 1.00 2.09 N ATOM 0 H LYS A 9 5.315 -6.613 -1.316 1.00 0.21 H new ATOM 0 HA LYS A 9 7.168 -4.469 -2.190 1.00 0.24 H new ATOM 0 HB2 LYS A 9 8.450 -6.336 -3.143 1.00 0.38 H new ATOM 0 HB3 LYS A 9 8.380 -6.306 -1.392 1.00 0.38 H new ATOM 0 HG2 LYS A 9 6.445 -8.047 -1.628 1.00 0.75 H new ATOM 0 HG3 LYS A 9 6.985 -8.229 -3.285 1.00 0.75 H new ATOM 0 HD2 LYS A 9 8.873 -8.491 -0.907 1.00 0.88 H new ATOM 0 HD3 LYS A 9 7.985 -9.856 -1.555 1.00 0.88 H new ATOM 0 HE2 LYS A 9 9.786 -8.170 -3.327 1.00 1.29 H new ATOM 0 HE3 LYS A 9 10.432 -9.478 -2.355 1.00 1.29 H new ATOM 0 HZ1 LYS A 9 9.908 -10.210 -4.574 1.00 2.09 H new ATOM 0 HZ2 LYS A 9 8.914 -11.004 -3.450 1.00 2.09 H new ATOM 0 HZ3 LYS A 9 8.288 -9.737 -4.391 1.00 2.09 H new ATOM 135 N VAL A 10 6.166 -4.374 -4.467 1.00 0.47 N ATOM 136 CA VAL A 10 5.401 -4.070 -5.661 1.00 0.61 C ATOM 137 C VAL A 10 6.344 -3.949 -6.855 1.00 0.75 C ATOM 138 O VAL A 10 7.540 -4.197 -6.730 1.00 1.69 O ATOM 139 CB VAL A 10 4.515 -2.846 -5.351 1.00 0.69 C ATOM 140 CG1 VAL A 10 5.336 -1.572 -5.140 1.00 1.29 C ATOM 141 CG2 VAL A 10 3.394 -2.599 -6.365 1.00 1.70 C ATOM 0 H VAL A 10 6.890 -3.683 -4.273 1.00 0.47 H new ATOM 0 HA VAL A 10 4.716 -4.866 -5.951 1.00 0.61 H new ATOM 0 HB VAL A 10 4.025 -3.105 -4.413 1.00 0.69 H new ATOM 0 HG11 VAL A 10 4.667 -0.739 -4.925 1.00 1.29 H new ATOM 0 HG12 VAL A 10 6.019 -1.714 -4.303 1.00 1.29 H new ATOM 0 HG13 VAL A 10 5.908 -1.354 -6.042 1.00 1.29 H new ATOM 0 HG21 VAL A 10 2.822 -1.720 -6.068 1.00 1.70 H new ATOM 0 HG22 VAL A 10 3.826 -2.435 -7.352 1.00 1.70 H new ATOM 0 HG23 VAL A 10 2.735 -3.467 -6.397 1.00 1.70 H new ATOM 151 N SER A 11 5.793 -3.648 -8.028 1.00 0.69 N ATOM 152 CA SER A 11 6.530 -3.586 -9.275 1.00 0.70 C ATOM 153 C SER A 11 5.805 -2.609 -10.208 1.00 0.72 C ATOM 154 O SER A 11 5.142 -3.024 -11.155 1.00 1.15 O ATOM 155 CB SER A 11 6.649 -5.014 -9.834 1.00 0.87 C ATOM 156 OG SER A 11 5.441 -5.749 -9.687 1.00 2.80 O ATOM 0 H SER A 11 4.801 -3.437 -8.134 1.00 0.69 H new ATOM 0 HA SER A 11 7.546 -3.211 -9.149 1.00 0.70 H new ATOM 0 HB2 SER A 11 6.919 -4.968 -10.889 1.00 0.87 H new ATOM 0 HB3 SER A 11 7.456 -5.537 -9.321 1.00 0.87 H new ATOM 0 HG SER A 11 5.559 -6.649 -10.056 1.00 2.80 H new ATOM 162 N GLY A 12 5.883 -1.304 -9.912 1.00 0.68 N ATOM 163 CA GLY A 12 5.161 -0.298 -10.689 1.00 0.70 C ATOM 164 C GLY A 12 5.146 1.101 -10.056 1.00 0.85 C ATOM 165 O GLY A 12 5.000 2.102 -10.755 1.00 1.62 O ATOM 0 H GLY A 12 6.437 -0.926 -9.143 1.00 0.68 H new ATOM 0 HA2 GLY A 12 5.610 -0.230 -11.680 1.00 0.70 H new ATOM 0 HA3 GLY A 12 4.133 -0.632 -10.827 1.00 0.70 H new ATOM 169 N MET A 13 5.260 1.200 -8.729 1.00 0.48 N ATOM 170 CA MET A 13 5.309 2.496 -8.063 1.00 0.46 C ATOM 171 C MET A 13 6.667 3.174 -8.293 1.00 0.46 C ATOM 172 O MET A 13 7.555 3.102 -7.447 1.00 0.81 O ATOM 173 CB MET A 13 5.005 2.334 -6.569 1.00 0.52 C ATOM 174 CG MET A 13 3.512 2.332 -6.231 1.00 1.26 C ATOM 175 SD MET A 13 3.180 2.926 -4.549 1.00 1.91 S ATOM 176 CE MET A 13 4.061 1.681 -3.583 1.00 2.07 C ATOM 0 H MET A 13 5.320 0.399 -8.100 1.00 0.48 H new ATOM 0 HA MET A 13 4.545 3.143 -8.494 1.00 0.46 H new ATOM 0 HB2 MET A 13 5.447 1.401 -6.218 1.00 0.52 H new ATOM 0 HB3 MET A 13 5.489 3.142 -6.021 1.00 0.52 H new ATOM 0 HG2 MET A 13 2.980 2.959 -6.946 1.00 1.26 H new ATOM 0 HG3 MET A 13 3.119 1.321 -6.340 1.00 1.26 H new ATOM 0 HE1 MET A 13 4.092 1.987 -2.537 1.00 2.07 H new ATOM 0 HE2 MET A 13 3.546 0.724 -3.666 1.00 2.07 H new ATOM 0 HE3 MET A 13 5.078 1.580 -3.961 1.00 2.07 H new ATOM 186 N ASP A 14 6.804 3.863 -9.430 1.00 0.46 N ATOM 187 CA ASP A 14 8.037 4.517 -9.869 1.00 0.47 C ATOM 188 C ASP A 14 8.068 6.048 -9.686 1.00 0.46 C ATOM 189 O ASP A 14 9.124 6.645 -9.890 1.00 0.54 O ATOM 190 CB ASP A 14 8.281 4.155 -11.341 1.00 0.65 C ATOM 191 CG ASP A 14 7.117 4.563 -12.238 1.00 0.78 C ATOM 192 OD1 ASP A 14 6.744 5.753 -12.194 1.00 1.41 O ATOM 193 OD2 ASP A 14 6.579 3.671 -12.924 1.00 1.22 O ATOM 0 H ASP A 14 6.035 3.984 -10.089 1.00 0.46 H new ATOM 0 HA ASP A 14 8.832 4.146 -9.222 1.00 0.47 H new ATOM 0 HB2 ASP A 14 9.192 4.644 -11.687 1.00 0.65 H new ATOM 0 HB3 ASP A 14 8.443 3.081 -11.427 1.00 0.65 H new ATOM 198 N CYS A 15 6.958 6.691 -9.294 1.00 0.44 N ATOM 199 CA CYS A 15 6.800 8.142 -9.341 1.00 0.41 C ATOM 200 C CYS A 15 6.170 8.624 -8.038 1.00 0.33 C ATOM 201 O CYS A 15 5.323 7.934 -7.475 1.00 0.30 O ATOM 202 CB CYS A 15 5.892 8.572 -10.508 1.00 0.48 C ATOM 203 SG CYS A 15 6.028 7.531 -11.989 1.00 0.68 S ATOM 0 H CYS A 15 6.137 6.206 -8.931 1.00 0.44 H new ATOM 0 HA CYS A 15 7.787 8.582 -9.483 1.00 0.41 H new ATOM 0 HB2 CYS A 15 4.856 8.565 -10.168 1.00 0.48 H new ATOM 0 HB3 CYS A 15 6.132 9.600 -10.779 1.00 0.48 H new ATOM 208 N ALA A 16 6.506 9.841 -7.604 1.00 0.33 N ATOM 209 CA ALA A 16 5.890 10.440 -6.426 1.00 0.30 C ATOM 210 C ALA A 16 4.388 10.648 -6.638 1.00 0.24 C ATOM 211 O ALA A 16 3.606 10.545 -5.698 1.00 0.22 O ATOM 212 CB ALA A 16 6.577 11.766 -6.087 1.00 0.37 C ATOM 0 H ALA A 16 7.205 10.430 -8.056 1.00 0.33 H new ATOM 0 HA ALA A 16 6.017 9.756 -5.587 1.00 0.30 H new ATOM 0 HB1 ALA A 16 6.108 12.204 -5.206 1.00 0.37 H new ATOM 0 HB2 ALA A 16 7.633 11.587 -5.885 1.00 0.37 H new ATOM 0 HB3 ALA A 16 6.479 12.452 -6.928 1.00 0.37 H new ATOM 218 N ALA A 17 3.970 10.951 -7.869 1.00 0.25 N ATOM 219 CA ALA A 17 2.556 11.085 -8.190 1.00 0.25 C ATOM 220 C ALA A 17 1.836 9.752 -7.962 1.00 0.21 C ATOM 221 O ALA A 17 0.821 9.710 -7.268 1.00 0.24 O ATOM 222 CB ALA A 17 2.387 11.581 -9.627 1.00 0.30 C ATOM 0 H ALA A 17 4.596 11.108 -8.659 1.00 0.25 H new ATOM 0 HA ALA A 17 2.103 11.824 -7.529 1.00 0.25 H new ATOM 0 HB1 ALA A 17 1.326 11.678 -9.856 1.00 0.30 H new ATOM 0 HB2 ALA A 17 2.872 12.551 -9.736 1.00 0.30 H new ATOM 0 HB3 ALA A 17 2.843 10.868 -10.314 1.00 0.30 H new ATOM 228 N CYS A 18 2.383 8.670 -8.529 1.00 0.23 N ATOM 229 CA CYS A 18 1.915 7.310 -8.308 1.00 0.24 C ATOM 230 C CYS A 18 1.843 7.058 -6.803 1.00 0.22 C ATOM 231 O CYS A 18 0.790 6.701 -6.283 1.00 0.25 O ATOM 232 CB CYS A 18 2.845 6.301 -9.009 1.00 0.35 C ATOM 233 SG CYS A 18 2.955 6.660 -10.790 1.00 0.48 S ATOM 0 H CYS A 18 3.178 8.724 -9.165 1.00 0.23 H new ATOM 0 HA CYS A 18 0.921 7.180 -8.736 1.00 0.24 H new ATOM 0 HB2 CYS A 18 3.838 6.343 -8.562 1.00 0.35 H new ATOM 0 HB3 CYS A 18 2.470 5.288 -8.859 1.00 0.35 H new ATOM 0 HG CYS A 18 4.204 6.768 -11.135 1.00 0.48 H new ATOM 238 N ALA A 19 2.952 7.303 -6.100 1.00 0.19 N ATOM 239 CA ALA A 19 3.029 7.177 -4.654 1.00 0.21 C ATOM 240 C ALA A 19 1.860 7.889 -3.977 1.00 0.21 C ATOM 241 O ALA A 19 1.158 7.281 -3.180 1.00 0.26 O ATOM 242 CB ALA A 19 4.369 7.714 -4.150 1.00 0.25 C ATOM 0 H ALA A 19 3.829 7.598 -6.530 1.00 0.19 H new ATOM 0 HA ALA A 19 2.961 6.120 -4.395 1.00 0.21 H new ATOM 0 HB1 ALA A 19 4.416 7.615 -3.066 1.00 0.25 H new ATOM 0 HB2 ALA A 19 5.182 7.146 -4.602 1.00 0.25 H new ATOM 0 HB3 ALA A 19 4.466 8.765 -4.423 1.00 0.25 H new ATOM 248 N ARG A 20 1.619 9.162 -4.301 1.00 0.21 N ATOM 249 CA ARG A 20 0.543 9.919 -3.694 1.00 0.26 C ATOM 250 C ARG A 20 -0.823 9.307 -4.009 1.00 0.27 C ATOM 251 O ARG A 20 -1.710 9.255 -3.156 1.00 0.36 O ATOM 252 CB ARG A 20 0.597 11.385 -4.144 1.00 0.32 C ATOM 253 CG ARG A 20 1.126 12.316 -3.039 1.00 0.78 C ATOM 254 CD ARG A 20 0.378 13.665 -2.999 1.00 0.66 C ATOM 255 NE ARG A 20 0.318 14.213 -1.632 1.00 1.50 N ATOM 256 CZ ARG A 20 -0.267 13.586 -0.595 1.00 2.63 C ATOM 257 NH1 ARG A 20 -1.002 12.494 -0.806 1.00 3.97 N ATOM 258 NH2 ARG A 20 -0.096 14.023 0.654 1.00 3.45 N ATOM 0 H ARG A 20 2.164 9.685 -4.986 1.00 0.21 H new ATOM 0 HA ARG A 20 0.679 9.880 -2.613 1.00 0.26 H new ATOM 0 HB2 ARG A 20 1.235 11.469 -5.024 1.00 0.32 H new ATOM 0 HB3 ARG A 20 -0.400 11.708 -4.442 1.00 0.32 H new ATOM 0 HG2 ARG A 20 1.029 11.821 -2.073 1.00 0.78 H new ATOM 0 HG3 ARG A 20 2.189 12.497 -3.198 1.00 0.78 H new ATOM 0 HD2 ARG A 20 0.877 14.378 -3.656 1.00 0.66 H new ATOM 0 HD3 ARG A 20 -0.633 13.532 -3.383 1.00 0.66 H new ATOM 0 HE ARG A 20 0.746 15.123 -1.462 1.00 1.50 H new ATOM 0 HH11 ARG A 20 -1.121 12.134 -1.753 1.00 3.97 H new ATOM 0 HH12 ARG A 20 -1.446 12.018 -0.020 1.00 3.97 H new ATOM 0 HH21 ARG A 20 0.484 14.843 0.833 1.00 3.45 H new ATOM 0 HH22 ARG A 20 -0.546 13.538 1.430 1.00 3.45 H new ATOM 272 N LYS A 21 -1.020 8.883 -5.256 1.00 0.26 N ATOM 273 CA LYS A 21 -2.286 8.296 -5.660 1.00 0.35 C ATOM 274 C LYS A 21 -2.518 7.000 -4.882 1.00 0.36 C ATOM 275 O LYS A 21 -3.623 6.756 -4.400 1.00 0.44 O ATOM 276 CB LYS A 21 -2.316 8.125 -7.190 1.00 0.43 C ATOM 277 CG LYS A 21 -3.660 8.573 -7.789 1.00 0.73 C ATOM 278 CD LYS A 21 -3.472 9.014 -9.247 1.00 1.53 C ATOM 279 CE LYS A 21 -4.778 9.601 -9.805 1.00 1.83 C ATOM 280 NZ LYS A 21 -4.575 10.260 -11.113 1.00 2.90 N ATOM 0 H LYS A 21 -0.321 8.936 -5.997 1.00 0.26 H new ATOM 0 HA LYS A 21 -3.119 8.955 -5.414 1.00 0.35 H new ATOM 0 HB2 LYS A 21 -1.508 8.705 -7.636 1.00 0.43 H new ATOM 0 HB3 LYS A 21 -2.136 7.080 -7.442 1.00 0.43 H new ATOM 0 HG2 LYS A 21 -4.379 7.755 -7.739 1.00 0.73 H new ATOM 0 HG3 LYS A 21 -4.071 9.395 -7.203 1.00 0.73 H new ATOM 0 HD2 LYS A 21 -2.677 9.757 -9.309 1.00 1.53 H new ATOM 0 HD3 LYS A 21 -3.161 8.163 -9.853 1.00 1.53 H new ATOM 0 HE2 LYS A 21 -5.517 8.806 -9.910 1.00 1.83 H new ATOM 0 HE3 LYS A 21 -5.184 10.322 -9.095 1.00 1.83 H new ATOM 0 HZ1 LYS A 21 -5.480 10.642 -11.453 1.00 2.90 H new ATOM 0 HZ2 LYS A 21 -3.890 11.035 -11.009 1.00 2.90 H new ATOM 0 HZ3 LYS A 21 -4.212 9.567 -11.798 1.00 2.90 H new ATOM 294 N VAL A 22 -1.467 6.199 -4.712 1.00 0.32 N ATOM 295 CA VAL A 22 -1.527 4.955 -3.975 1.00 0.36 C ATOM 296 C VAL A 22 -1.787 5.244 -2.506 1.00 0.31 C ATOM 297 O VAL A 22 -2.764 4.732 -1.966 1.00 0.44 O ATOM 298 CB VAL A 22 -0.252 4.134 -4.210 1.00 0.39 C ATOM 299 CG1 VAL A 22 -0.235 2.907 -3.296 1.00 0.45 C ATOM 300 CG2 VAL A 22 -0.264 3.660 -5.664 1.00 0.64 C ATOM 0 H VAL A 22 -0.542 6.406 -5.090 1.00 0.32 H new ATOM 0 HA VAL A 22 -2.356 4.346 -4.335 1.00 0.36 H new ATOM 0 HB VAL A 22 0.625 4.745 -3.998 1.00 0.39 H new ATOM 0 HG11 VAL A 22 0.675 2.334 -3.473 1.00 0.45 H new ATOM 0 HG12 VAL A 22 -0.264 3.228 -2.255 1.00 0.45 H new ATOM 0 HG13 VAL A 22 -1.104 2.283 -3.508 1.00 0.45 H new ATOM 0 HG21 VAL A 22 0.632 3.072 -5.862 1.00 0.64 H new ATOM 0 HG22 VAL A 22 -1.147 3.046 -5.839 1.00 0.64 H new ATOM 0 HG23 VAL A 22 -0.285 4.524 -6.328 1.00 0.64 H new ATOM 310 N GLU A 23 -0.947 6.059 -1.855 1.00 0.20 N ATOM 311 CA GLU A 23 -1.112 6.329 -0.436 1.00 0.26 C ATOM 312 C GLU A 23 -2.547 6.782 -0.181 1.00 0.28 C ATOM 313 O GLU A 23 -3.160 6.352 0.784 1.00 0.32 O ATOM 314 CB GLU A 23 -0.081 7.315 0.148 1.00 0.33 C ATOM 315 CG GLU A 23 -0.428 8.761 -0.197 1.00 0.34 C ATOM 316 CD GLU A 23 0.495 9.805 0.410 1.00 0.54 C ATOM 317 OE1 GLU A 23 1.723 9.624 0.311 1.00 1.56 O ATOM 318 OE2 GLU A 23 -0.068 10.806 0.919 1.00 1.77 O ATOM 0 H GLU A 23 -0.156 6.535 -2.290 1.00 0.20 H new ATOM 0 HA GLU A 23 -0.916 5.399 0.097 1.00 0.26 H new ATOM 0 HB2 GLU A 23 -0.039 7.199 1.231 1.00 0.33 H new ATOM 0 HB3 GLU A 23 0.910 7.076 -0.237 1.00 0.33 H new ATOM 0 HG2 GLU A 23 -0.416 8.873 -1.281 1.00 0.34 H new ATOM 0 HG3 GLU A 23 -1.447 8.963 0.133 1.00 0.34 H new ATOM 325 N ASN A 24 -3.095 7.627 -1.061 1.00 0.31 N ATOM 326 CA ASN A 24 -4.460 8.097 -0.921 1.00 0.43 C ATOM 327 C ASN A 24 -5.449 6.946 -1.083 1.00 0.47 C ATOM 328 O ASN A 24 -6.290 6.731 -0.212 1.00 0.56 O ATOM 329 CB ASN A 24 -4.762 9.204 -1.927 1.00 0.52 C ATOM 330 CG ASN A 24 -6.104 9.826 -1.573 1.00 1.30 C ATOM 331 OD1 ASN A 24 -7.160 9.339 -1.969 1.00 2.63 O ATOM 332 ND2 ASN A 24 -6.062 10.895 -0.782 1.00 1.65 N ATOM 0 H ASN A 24 -2.605 7.995 -1.877 1.00 0.31 H new ATOM 0 HA ASN A 24 -4.571 8.508 0.083 1.00 0.43 H new ATOM 0 HB2 ASN A 24 -3.977 9.960 -1.905 1.00 0.52 H new ATOM 0 HB3 ASN A 24 -4.787 8.800 -2.939 1.00 0.52 H new ATOM 0 HD21 ASN A 24 -6.928 11.342 -0.482 1.00 1.65 H new ATOM 0 HD22 ASN A 24 -5.163 11.268 -0.476 1.00 1.65 H new ATOM 339 N ALA A 25 -5.346 6.219 -2.200 1.00 0.50 N ATOM 340 CA ALA A 25 -6.238 5.122 -2.548 1.00 0.63 C ATOM 341 C ALA A 25 -6.292 4.058 -1.451 1.00 0.50 C ATOM 342 O ALA A 25 -7.350 3.484 -1.205 1.00 0.58 O ATOM 343 CB ALA A 25 -5.804 4.508 -3.881 1.00 0.78 C ATOM 0 H ALA A 25 -4.622 6.385 -2.899 1.00 0.50 H new ATOM 0 HA ALA A 25 -7.246 5.524 -2.648 1.00 0.63 H new ATOM 0 HB1 ALA A 25 -6.473 3.687 -4.139 1.00 0.78 H new ATOM 0 HB2 ALA A 25 -5.844 5.268 -4.662 1.00 0.78 H new ATOM 0 HB3 ALA A 25 -4.785 4.131 -3.793 1.00 0.78 H new ATOM 349 N VAL A 26 -5.165 3.792 -0.786 1.00 0.34 N ATOM 350 CA VAL A 26 -5.135 2.870 0.339 1.00 0.30 C ATOM 351 C VAL A 26 -5.632 3.599 1.602 1.00 0.26 C ATOM 352 O VAL A 26 -6.508 3.102 2.302 1.00 0.28 O ATOM 353 CB VAL A 26 -3.758 2.173 0.443 1.00 0.50 C ATOM 354 CG1 VAL A 26 -3.310 1.643 -0.915 1.00 2.16 C ATOM 355 CG2 VAL A 26 -2.659 3.038 1.059 1.00 1.53 C ATOM 0 H VAL A 26 -4.261 4.207 -1.013 1.00 0.34 H new ATOM 0 HA VAL A 26 -5.827 2.040 0.195 1.00 0.30 H new ATOM 0 HB VAL A 26 -3.910 1.342 1.132 1.00 0.50 H new ATOM 0 HG11 VAL A 26 -2.339 1.158 -0.814 1.00 2.16 H new ATOM 0 HG12 VAL A 26 -4.040 0.922 -1.283 1.00 2.16 H new ATOM 0 HG13 VAL A 26 -3.230 2.470 -1.620 1.00 2.16 H new ATOM 0 HG21 VAL A 26 -1.728 2.473 1.094 1.00 1.53 H new ATOM 0 HG22 VAL A 26 -2.518 3.933 0.453 1.00 1.53 H new ATOM 0 HG23 VAL A 26 -2.947 3.326 2.070 1.00 1.53 H new ATOM 365 N ARG A 27 -5.135 4.809 1.886 1.00 0.30 N ATOM 366 CA ARG A 27 -5.504 5.566 3.084 1.00 0.36 C ATOM 367 C ARG A 27 -7.021 5.708 3.230 1.00 0.40 C ATOM 368 O ARG A 27 -7.550 5.576 4.331 1.00 0.48 O ATOM 369 CB ARG A 27 -4.811 6.932 3.092 1.00 0.38 C ATOM 370 CG ARG A 27 -5.140 7.752 4.344 1.00 0.41 C ATOM 371 CD ARG A 27 -4.297 9.030 4.355 1.00 0.46 C ATOM 372 NE ARG A 27 -4.564 9.828 5.560 1.00 0.62 N ATOM 373 CZ ARG A 27 -3.936 10.976 5.866 1.00 1.19 C ATOM 374 NH1 ARG A 27 -2.992 11.453 5.049 1.00 1.86 N ATOM 375 NH2 ARG A 27 -4.260 11.637 6.983 1.00 1.31 N ATOM 0 H ARG A 27 -4.463 5.290 1.288 1.00 0.30 H new ATOM 0 HA ARG A 27 -5.158 5.002 3.950 1.00 0.36 H new ATOM 0 HB2 ARG A 27 -3.732 6.788 3.029 1.00 0.38 H new ATOM 0 HB3 ARG A 27 -5.110 7.492 2.206 1.00 0.38 H new ATOM 0 HG2 ARG A 27 -6.201 8.003 4.358 1.00 0.41 H new ATOM 0 HG3 ARG A 27 -4.940 7.164 5.240 1.00 0.41 H new ATOM 0 HD2 ARG A 27 -3.239 8.772 4.313 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -4.517 9.622 3.467 1.00 0.46 H new ATOM 0 HE ARG A 27 -5.274 9.487 6.208 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -2.751 10.946 4.197 1.00 1.86 H new ATOM 0 HH12 ARG A 27 -2.513 12.324 5.277 1.00 1.86 H new ATOM 0 HH21 ARG A 27 -4.983 11.270 7.601 1.00 1.31 H new ATOM 0 HH22 ARG A 27 -3.784 12.508 7.216 1.00 1.31 H new ATOM 389 N GLN A 28 -7.723 5.975 2.128 1.00 0.44 N ATOM 390 CA GLN A 28 -9.171 6.146 2.143 1.00 0.56 C ATOM 391 C GLN A 28 -9.943 4.917 2.645 1.00 0.47 C ATOM 392 O GLN A 28 -11.131 5.054 2.923 1.00 0.54 O ATOM 393 CB GLN A 28 -9.694 6.674 0.802 1.00 0.76 C ATOM 394 CG GLN A 28 -9.463 5.658 -0.308 1.00 0.73 C ATOM 395 CD GLN A 28 -10.025 6.113 -1.649 1.00 0.97 C ATOM 396 OE1 GLN A 28 -10.938 5.495 -2.186 1.00 1.09 O ATOM 397 NE2 GLN A 28 -9.492 7.194 -2.217 1.00 1.13 N ATOM 0 H GLN A 28 -7.303 6.078 1.204 1.00 0.44 H new ATOM 0 HA GLN A 28 -9.371 6.914 2.890 1.00 0.56 H new ATOM 0 HB2 GLN A 28 -10.758 6.894 0.883 1.00 0.76 H new ATOM 0 HB3 GLN A 28 -9.193 7.610 0.554 1.00 0.76 H new ATOM 0 HG2 GLN A 28 -8.393 5.475 -0.410 1.00 0.73 H new ATOM 0 HG3 GLN A 28 -9.923 4.710 -0.029 1.00 0.73 H new ATOM 0 HE21 GLN A 28 -8.733 7.693 -1.752 1.00 1.13 H new ATOM 0 HE22 GLN A 28 -9.843 7.523 -3.117 1.00 1.13 H new ATOM 406 N LEU A 29 -9.330 3.723 2.697 1.00 0.35 N ATOM 407 CA LEU A 29 -10.051 2.480 2.973 1.00 0.36 C ATOM 408 C LEU A 29 -10.901 2.574 4.246 1.00 0.34 C ATOM 409 O LEU A 29 -12.123 2.490 4.158 1.00 0.44 O ATOM 410 CB LEU A 29 -9.079 1.293 3.033 1.00 0.33 C ATOM 411 CG LEU A 29 -8.503 0.937 1.651 1.00 0.37 C ATOM 412 CD1 LEU A 29 -7.240 0.092 1.835 1.00 0.47 C ATOM 413 CD2 LEU A 29 -9.507 0.169 0.780 1.00 0.47 C ATOM 0 H LEU A 29 -8.329 3.598 2.550 1.00 0.35 H new ATOM 0 HA LEU A 29 -10.744 2.313 2.148 1.00 0.36 H new ATOM 0 HB2 LEU A 29 -8.262 1.530 3.714 1.00 0.33 H new ATOM 0 HB3 LEU A 29 -9.595 0.425 3.443 1.00 0.33 H new ATOM 0 HG LEU A 29 -8.272 1.871 1.138 1.00 0.37 H new ATOM 0 HD11 LEU A 29 -6.828 -0.163 0.859 1.00 0.47 H new ATOM 0 HD12 LEU A 29 -6.503 0.659 2.404 1.00 0.47 H new ATOM 0 HD13 LEU A 29 -7.489 -0.822 2.374 1.00 0.47 H new ATOM 0 HD21 LEU A 29 -9.053 -0.059 -0.184 1.00 0.47 H new ATOM 0 HD22 LEU A 29 -9.785 -0.760 1.278 1.00 0.47 H new ATOM 0 HD23 LEU A 29 -10.397 0.779 0.627 1.00 0.47 H new ATOM 425 N ALA A 30 -10.248 2.711 5.409 1.00 0.34 N ATOM 426 CA ALA A 30 -10.810 2.893 6.746 1.00 0.43 C ATOM 427 C ALA A 30 -9.772 2.480 7.792 1.00 0.42 C ATOM 428 O ALA A 30 -9.325 3.299 8.586 1.00 0.45 O ATOM 429 CB ALA A 30 -12.062 2.043 6.927 1.00 0.51 C ATOM 0 H ALA A 30 -9.228 2.695 5.436 1.00 0.34 H new ATOM 0 HA ALA A 30 -11.076 3.943 6.870 1.00 0.43 H new ATOM 0 HB1 ALA A 30 -12.463 2.195 7.929 1.00 0.51 H new ATOM 0 HB2 ALA A 30 -12.810 2.335 6.189 1.00 0.51 H new ATOM 0 HB3 ALA A 30 -11.810 0.991 6.792 1.00 0.51 H new ATOM 435 N GLY A 31 -9.410 1.192 7.780 1.00 0.43 N ATOM 436 CA GLY A 31 -8.489 0.550 8.714 1.00 0.43 C ATOM 437 C GLY A 31 -7.235 1.369 9.005 1.00 0.44 C ATOM 438 O GLY A 31 -6.772 1.449 10.141 1.00 0.51 O ATOM 0 H GLY A 31 -9.771 0.541 7.083 1.00 0.43 H new ATOM 0 HA2 GLY A 31 -9.012 0.358 9.651 1.00 0.43 H new ATOM 0 HA3 GLY A 31 -8.193 -0.418 8.310 1.00 0.43 H new ATOM 442 N VAL A 32 -6.615 1.849 7.928 1.00 0.38 N ATOM 443 CA VAL A 32 -5.276 2.387 7.932 1.00 0.31 C ATOM 444 C VAL A 32 -5.159 3.623 8.827 1.00 0.36 C ATOM 445 O VAL A 32 -5.917 4.580 8.688 1.00 0.51 O ATOM 446 CB VAL A 32 -4.762 2.533 6.489 1.00 0.35 C ATOM 447 CG1 VAL A 32 -5.847 2.717 5.431 1.00 0.33 C ATOM 448 CG2 VAL A 32 -3.715 3.631 6.318 1.00 0.43 C ATOM 0 H VAL A 32 -7.052 1.870 7.007 1.00 0.38 H new ATOM 0 HA VAL A 32 -4.589 1.684 8.404 1.00 0.31 H new ATOM 0 HB VAL A 32 -4.295 1.564 6.316 1.00 0.35 H new ATOM 0 HG11 VAL A 32 -5.385 2.811 4.448 1.00 0.33 H new ATOM 0 HG12 VAL A 32 -6.512 1.854 5.438 1.00 0.33 H new ATOM 0 HG13 VAL A 32 -6.420 3.618 5.650 1.00 0.33 H new ATOM 0 HG21 VAL A 32 -3.400 3.674 5.275 1.00 0.43 H new ATOM 0 HG22 VAL A 32 -4.143 4.590 6.608 1.00 0.43 H new ATOM 0 HG23 VAL A 32 -2.853 3.413 6.948 1.00 0.43 H new ATOM 458 N ASN A 33 -4.166 3.597 9.717 1.00 0.34 N ATOM 459 CA ASN A 33 -3.913 4.626 10.714 1.00 0.57 C ATOM 460 C ASN A 33 -2.910 5.604 10.112 1.00 0.54 C ATOM 461 O ASN A 33 -3.137 6.813 10.097 1.00 0.84 O ATOM 462 CB ASN A 33 -3.231 4.030 11.956 1.00 0.70 C ATOM 463 CG ASN A 33 -3.969 2.932 12.706 1.00 1.17 C ATOM 464 OD1 ASN A 33 -5.183 2.977 12.880 1.00 1.50 O ATOM 465 ND2 ASN A 33 -3.199 1.976 13.209 1.00 1.47 N ATOM 0 H ASN A 33 -3.495 2.830 9.761 1.00 0.34 H new ATOM 0 HA ASN A 33 -4.860 5.089 10.992 1.00 0.57 H new ATOM 0 HB2 ASN A 33 -2.262 3.635 11.650 1.00 0.70 H new ATOM 0 HB3 ASN A 33 -3.037 4.843 12.656 1.00 0.70 H new ATOM 0 HD21 ASN A 33 -3.612 1.231 13.771 1.00 1.47 H new ATOM 0 HD22 ASN A 33 -2.194 1.986 13.034 1.00 1.47 H new ATOM 472 N GLN A 34 -1.791 5.064 9.621 1.00 0.28 N ATOM 473 CA GLN A 34 -0.722 5.800 8.977 1.00 0.30 C ATOM 474 C GLN A 34 -0.331 5.019 7.728 1.00 0.28 C ATOM 475 O GLN A 34 -0.394 3.790 7.710 1.00 0.48 O ATOM 476 CB GLN A 34 0.461 5.978 9.946 1.00 0.32 C ATOM 477 CG GLN A 34 1.638 6.747 9.329 1.00 0.34 C ATOM 478 CD GLN A 34 1.205 8.134 8.865 1.00 0.72 C ATOM 479 OE1 GLN A 34 0.763 8.303 7.732 1.00 1.84 O ATOM 480 NE2 GLN A 34 1.289 9.125 9.747 1.00 1.59 N ATOM 0 H GLN A 34 -1.607 4.062 9.668 1.00 0.28 H new ATOM 0 HA GLN A 34 -1.040 6.804 8.695 1.00 0.30 H new ATOM 0 HB2 GLN A 34 0.117 6.506 10.836 1.00 0.32 H new ATOM 0 HB3 GLN A 34 0.807 4.997 10.271 1.00 0.32 H new ATOM 0 HG2 GLN A 34 2.440 6.839 10.061 1.00 0.34 H new ATOM 0 HG3 GLN A 34 2.040 6.187 8.485 1.00 0.34 H new ATOM 0 HE21 GLN A 34 1.662 8.947 10.680 1.00 1.59 H new ATOM 0 HE22 GLN A 34 0.981 10.063 9.491 1.00 1.59 H new ATOM 489 N VAL A 35 0.055 5.741 6.678 1.00 0.31 N ATOM 490 CA VAL A 35 0.412 5.174 5.393 1.00 0.32 C ATOM 491 C VAL A 35 1.829 5.637 5.064 1.00 0.29 C ATOM 492 O VAL A 35 2.162 6.797 5.297 1.00 0.42 O ATOM 493 CB VAL A 35 -0.647 5.597 4.360 1.00 0.58 C ATOM 494 CG1 VAL A 35 -0.679 7.110 4.096 1.00 1.52 C ATOM 495 CG2 VAL A 35 -0.434 4.842 3.051 1.00 1.90 C ATOM 0 H VAL A 35 0.128 6.758 6.704 1.00 0.31 H new ATOM 0 HA VAL A 35 0.419 4.084 5.393 1.00 0.32 H new ATOM 0 HB VAL A 35 -1.615 5.339 4.790 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -1.449 7.334 3.358 1.00 1.52 H new ATOM 0 HG12 VAL A 35 -0.902 7.637 5.024 1.00 1.52 H new ATOM 0 HG13 VAL A 35 0.291 7.434 3.719 1.00 1.52 H new ATOM 0 HG21 VAL A 35 -1.189 5.149 2.327 1.00 1.90 H new ATOM 0 HG22 VAL A 35 0.558 5.067 2.659 1.00 1.90 H new ATOM 0 HG23 VAL A 35 -0.519 3.770 3.231 1.00 1.90 H new ATOM 505 N GLN A 36 2.683 4.736 4.569 1.00 0.27 N ATOM 506 CA GLN A 36 4.064 5.058 4.248 1.00 0.34 C ATOM 507 C GLN A 36 4.465 4.253 3.012 1.00 0.35 C ATOM 508 O GLN A 36 5.007 3.148 3.125 1.00 0.43 O ATOM 509 CB GLN A 36 4.939 4.746 5.467 1.00 0.42 C ATOM 510 CG GLN A 36 6.411 5.117 5.220 1.00 0.49 C ATOM 511 CD GLN A 36 7.350 4.509 6.252 1.00 0.72 C ATOM 512 OE1 GLN A 36 7.274 3.195 6.444 1.00 1.78 O flip ATOM 513 NE2 GLN A 36 8.161 5.198 6.857 1.00 0.50 N flip ATOM 0 H GLN A 36 2.430 3.766 4.382 1.00 0.27 H new ATOM 0 HA GLN A 36 4.194 6.115 4.017 1.00 0.34 H new ATOM 0 HB2 GLN A 36 4.566 5.294 6.333 1.00 0.42 H new ATOM 0 HB3 GLN A 36 4.866 3.685 5.705 1.00 0.42 H new ATOM 0 HG2 GLN A 36 6.704 4.781 4.225 1.00 0.49 H new ATOM 0 HG3 GLN A 36 6.515 6.202 5.234 1.00 0.49 H new ATOM 0 HE21 GLN A 36 8.199 6.204 6.692 1.00 0.50 H new ATOM 0 HE22 GLN A 36 8.798 4.766 7.526 1.00 0.50 H new ATOM 522 N VAL A 37 4.213 4.817 1.828 1.00 0.31 N ATOM 523 CA VAL A 37 4.507 4.161 0.568 1.00 0.32 C ATOM 524 C VAL A 37 5.845 4.679 0.038 1.00 0.30 C ATOM 525 O VAL A 37 5.953 5.838 -0.355 1.00 0.39 O ATOM 526 CB VAL A 37 3.315 4.269 -0.404 1.00 0.47 C ATOM 527 CG1 VAL A 37 1.988 4.036 0.323 1.00 1.74 C ATOM 528 CG2 VAL A 37 3.210 5.577 -1.184 1.00 1.28 C ATOM 0 H VAL A 37 3.799 5.743 1.725 1.00 0.31 H new ATOM 0 HA VAL A 37 4.633 3.087 0.703 1.00 0.32 H new ATOM 0 HB VAL A 37 3.515 3.487 -1.136 1.00 0.47 H new ATOM 0 HG11 VAL A 37 1.165 4.118 -0.387 1.00 1.74 H new ATOM 0 HG12 VAL A 37 1.986 3.041 0.767 1.00 1.74 H new ATOM 0 HG13 VAL A 37 1.867 4.783 1.107 1.00 1.74 H new ATOM 0 HG21 VAL A 37 2.337 5.543 -1.836 1.00 1.28 H new ATOM 0 HG22 VAL A 37 3.111 6.409 -0.487 1.00 1.28 H new ATOM 0 HG23 VAL A 37 4.108 5.714 -1.787 1.00 1.28 H new ATOM 538 N LEU A 38 6.892 3.845 0.080 1.00 0.33 N ATOM 539 CA LEU A 38 8.209 4.218 -0.396 1.00 0.33 C ATOM 540 C LEU A 38 8.366 3.618 -1.791 1.00 0.31 C ATOM 541 O LEU A 38 8.993 2.575 -1.993 1.00 0.34 O ATOM 542 CB LEU A 38 9.282 3.781 0.607 1.00 0.36 C ATOM 543 CG LEU A 38 10.666 4.301 0.194 1.00 0.40 C ATOM 544 CD1 LEU A 38 10.805 5.825 0.325 1.00 0.54 C ATOM 545 CD2 LEU A 38 11.745 3.637 1.057 1.00 0.46 C ATOM 0 H LEU A 38 6.839 2.895 0.447 1.00 0.33 H new ATOM 0 HA LEU A 38 8.331 5.298 -0.476 1.00 0.33 H new ATOM 0 HB2 LEU A 38 9.031 4.155 1.600 1.00 0.36 H new ATOM 0 HB3 LEU A 38 9.303 2.693 0.672 1.00 0.36 H new ATOM 0 HG LEU A 38 10.789 4.048 -0.859 1.00 0.40 H new ATOM 0 HD11 LEU A 38 11.806 6.127 0.018 1.00 0.54 H new ATOM 0 HD12 LEU A 38 10.067 6.314 -0.311 1.00 0.54 H new ATOM 0 HD13 LEU A 38 10.640 6.118 1.362 1.00 0.54 H new ATOM 0 HD21 LEU A 38 12.726 4.008 0.762 1.00 0.46 H new ATOM 0 HD22 LEU A 38 11.568 3.874 2.106 1.00 0.46 H new ATOM 0 HD23 LEU A 38 11.709 2.557 0.918 1.00 0.46 H new ATOM 557 N PHE A 39 7.746 4.312 -2.745 1.00 0.35 N ATOM 558 CA PHE A 39 7.887 4.060 -4.167 1.00 0.37 C ATOM 559 C PHE A 39 9.370 4.094 -4.565 1.00 0.36 C ATOM 560 O PHE A 39 10.197 4.603 -3.808 1.00 0.35 O ATOM 561 CB PHE A 39 7.071 5.122 -4.913 1.00 0.47 C ATOM 562 CG PHE A 39 7.786 6.433 -5.138 1.00 0.32 C ATOM 563 CD1 PHE A 39 7.772 7.455 -4.172 1.00 1.87 C ATOM 564 CD2 PHE A 39 8.483 6.616 -6.344 1.00 1.65 C ATOM 565 CE1 PHE A 39 8.352 8.699 -4.471 1.00 1.90 C ATOM 566 CE2 PHE A 39 9.070 7.851 -6.640 1.00 1.69 C ATOM 567 CZ PHE A 39 8.961 8.905 -5.723 1.00 0.58 C ATOM 0 H PHE A 39 7.115 5.086 -2.537 1.00 0.35 H new ATOM 0 HA PHE A 39 7.513 3.070 -4.428 1.00 0.37 H new ATOM 0 HB2 PHE A 39 6.773 4.717 -5.880 1.00 0.47 H new ATOM 0 HB3 PHE A 39 6.156 5.316 -4.353 1.00 0.47 H new ATOM 0 HD1 PHE A 39 7.318 7.285 -3.207 1.00 1.87 H new ATOM 0 HD2 PHE A 39 8.566 5.799 -7.046 1.00 1.65 H new ATOM 0 HE1 PHE A 39 8.331 9.495 -3.742 1.00 1.90 H new ATOM 0 HE2 PHE A 39 9.603 7.991 -7.569 1.00 1.69 H new ATOM 0 HZ PHE A 39 9.347 9.881 -5.978 1.00 0.58 H new ATOM 577 N ALA A 40 9.720 3.541 -5.729 1.00 0.42 N ATOM 578 CA ALA A 40 11.079 3.474 -6.273 1.00 0.40 C ATOM 579 C ALA A 40 11.969 2.479 -5.516 1.00 0.36 C ATOM 580 O ALA A 40 12.783 1.786 -6.122 1.00 0.67 O ATOM 581 CB ALA A 40 11.723 4.862 -6.389 1.00 0.51 C ATOM 0 H ALA A 40 9.033 3.108 -6.346 1.00 0.42 H new ATOM 0 HA ALA A 40 10.986 3.086 -7.287 1.00 0.40 H new ATOM 0 HB1 ALA A 40 12.729 4.763 -6.797 1.00 0.51 H new ATOM 0 HB2 ALA A 40 11.123 5.487 -7.050 1.00 0.51 H new ATOM 0 HB3 ALA A 40 11.775 5.323 -5.402 1.00 0.51 H new ATOM 587 N THR A 41 11.820 2.389 -4.191 1.00 0.35 N ATOM 588 CA THR A 41 12.357 1.310 -3.374 1.00 0.32 C ATOM 589 C THR A 41 11.343 0.160 -3.277 1.00 0.36 C ATOM 590 O THR A 41 11.409 -0.627 -2.335 1.00 0.76 O ATOM 591 CB THR A 41 12.713 1.876 -1.989 1.00 0.41 C ATOM 592 OG1 THR A 41 13.237 3.184 -2.123 1.00 0.94 O ATOM 593 CG2 THR A 41 13.758 1.036 -1.246 1.00 0.75 C ATOM 0 H THR A 41 11.309 3.085 -3.648 1.00 0.35 H new ATOM 0 HA THR A 41 13.259 0.902 -3.830 1.00 0.32 H new ATOM 0 HB THR A 41 11.788 1.867 -1.413 1.00 0.41 H new ATOM 0 HG1 THR A 41 13.460 3.539 -1.237 1.00 0.94 H new ATOM 0 HG21 THR A 41 13.966 1.488 -0.276 1.00 0.75 H new ATOM 0 HG22 THR A 41 13.376 0.025 -1.101 1.00 0.75 H new ATOM 0 HG23 THR A 41 14.676 0.996 -1.832 1.00 0.75 H new ATOM 601 N GLU A 42 10.412 0.064 -4.234 1.00 0.38 N ATOM 602 CA GLU A 42 9.408 -0.973 -4.382 1.00 0.42 C ATOM 603 C GLU A 42 8.893 -1.573 -3.080 1.00 0.41 C ATOM 604 O GLU A 42 8.756 -2.792 -2.980 1.00 0.57 O ATOM 605 CB GLU A 42 9.906 -2.012 -5.403 1.00 0.65 C ATOM 606 CG GLU A 42 9.313 -1.714 -6.780 1.00 1.83 C ATOM 607 CD GLU A 42 9.842 -0.435 -7.431 1.00 3.48 C ATOM 608 OE1 GLU A 42 9.826 0.619 -6.754 1.00 4.82 O ATOM 609 OE2 GLU A 42 10.231 -0.539 -8.613 1.00 4.13 O ATOM 0 H GLU A 42 10.344 0.764 -4.973 1.00 0.38 H new ATOM 0 HA GLU A 42 8.506 -0.502 -4.773 1.00 0.42 H new ATOM 0 HB2 GLU A 42 10.995 -1.992 -5.454 1.00 0.65 H new ATOM 0 HB3 GLU A 42 9.621 -3.014 -5.084 1.00 0.65 H new ATOM 0 HG2 GLU A 42 9.519 -2.556 -7.441 1.00 1.83 H new ATOM 0 HG3 GLU A 42 8.230 -1.639 -6.687 1.00 1.83 H new ATOM 616 N LYS A 43 8.494 -0.729 -2.122 1.00 0.28 N ATOM 617 CA LYS A 43 7.716 -1.221 -1.009 1.00 0.27 C ATOM 618 C LYS A 43 6.706 -0.196 -0.532 1.00 0.28 C ATOM 619 O LYS A 43 6.925 1.015 -0.611 1.00 0.43 O ATOM 620 CB LYS A 43 8.609 -1.789 0.101 1.00 0.46 C ATOM 621 CG LYS A 43 9.385 -0.796 0.978 1.00 0.99 C ATOM 622 CD LYS A 43 8.527 -0.040 2.007 1.00 0.83 C ATOM 623 CE LYS A 43 9.407 0.525 3.130 1.00 1.61 C ATOM 624 NZ LYS A 43 8.647 1.445 4.002 1.00 2.96 N ATOM 0 H LYS A 43 8.696 0.271 -2.104 1.00 0.28 H new ATOM 0 HA LYS A 43 7.122 -2.065 -1.359 1.00 0.27 H new ATOM 0 HB2 LYS A 43 7.983 -2.395 0.756 1.00 0.46 H new ATOM 0 HB3 LYS A 43 9.331 -2.461 -0.362 1.00 0.46 H new ATOM 0 HG2 LYS A 43 10.170 -1.336 1.507 1.00 0.99 H new ATOM 0 HG3 LYS A 43 9.877 -0.069 0.332 1.00 0.99 H new ATOM 0 HD2 LYS A 43 7.990 0.771 1.515 1.00 0.83 H new ATOM 0 HD3 LYS A 43 7.777 -0.711 2.427 1.00 0.83 H new ATOM 0 HE2 LYS A 43 9.809 -0.294 3.726 1.00 1.61 H new ATOM 0 HE3 LYS A 43 10.258 1.051 2.697 1.00 1.61 H new ATOM 0 HZ1 LYS A 43 9.289 2.166 4.390 1.00 2.96 H new ATOM 0 HZ2 LYS A 43 7.899 1.909 3.448 1.00 2.96 H new ATOM 0 HZ3 LYS A 43 8.218 0.908 4.782 1.00 2.96 H new ATOM 638 N LEU A 44 5.595 -0.696 -0.003 1.00 0.22 N ATOM 639 CA LEU A 44 4.615 0.097 0.691 1.00 0.19 C ATOM 640 C LEU A 44 4.484 -0.522 2.067 1.00 0.20 C ATOM 641 O LEU A 44 4.452 -1.742 2.170 1.00 0.43 O ATOM 642 CB LEU A 44 3.333 0.163 -0.149 1.00 0.29 C ATOM 643 CG LEU A 44 2.106 -0.503 0.445 1.00 0.39 C ATOM 644 CD1 LEU A 44 1.642 0.263 1.671 1.00 0.62 C ATOM 645 CD2 LEU A 44 1.007 -0.544 -0.598 1.00 0.56 C ATOM 0 H LEU A 44 5.355 -1.686 -0.051 1.00 0.22 H new ATOM 0 HA LEU A 44 4.890 1.143 0.829 1.00 0.19 H new ATOM 0 HB2 LEU A 44 3.098 1.211 -0.333 1.00 0.29 H new ATOM 0 HB3 LEU A 44 3.535 -0.293 -1.118 1.00 0.29 H new ATOM 0 HG LEU A 44 2.353 -1.521 0.747 1.00 0.39 H new ATOM 0 HD11 LEU A 44 0.761 -0.222 2.091 1.00 0.62 H new ATOM 0 HD12 LEU A 44 2.438 0.276 2.415 1.00 0.62 H new ATOM 0 HD13 LEU A 44 1.393 1.286 1.388 1.00 0.62 H new ATOM 0 HD21 LEU A 44 0.123 -1.022 -0.176 1.00 0.56 H new ATOM 0 HD22 LEU A 44 0.759 0.472 -0.905 1.00 0.56 H new ATOM 0 HD23 LEU A 44 1.348 -1.112 -1.464 1.00 0.56 H new ATOM 657 N VAL A 45 4.447 0.314 3.104 1.00 0.24 N ATOM 658 CA VAL A 45 4.185 -0.048 4.471 1.00 0.20 C ATOM 659 C VAL A 45 2.922 0.701 4.874 1.00 0.22 C ATOM 660 O VAL A 45 2.727 1.868 4.521 1.00 0.25 O ATOM 661 CB VAL A 45 5.397 0.284 5.356 1.00 0.22 C ATOM 662 CG1 VAL A 45 5.000 0.657 6.787 1.00 0.24 C ATOM 663 CG2 VAL A 45 6.332 -0.928 5.409 1.00 0.30 C ATOM 0 H VAL A 45 4.610 1.315 2.992 1.00 0.24 H new ATOM 0 HA VAL A 45 4.027 -1.120 4.594 1.00 0.20 H new ATOM 0 HB VAL A 45 5.892 1.148 4.911 1.00 0.22 H new ATOM 0 HG11 VAL A 45 5.896 0.881 7.366 1.00 0.24 H new ATOM 0 HG12 VAL A 45 4.351 1.533 6.768 1.00 0.24 H new ATOM 0 HG13 VAL A 45 4.470 -0.177 7.247 1.00 0.24 H new ATOM 0 HG21 VAL A 45 7.193 -0.696 6.036 1.00 0.30 H new ATOM 0 HG22 VAL A 45 5.798 -1.781 5.827 1.00 0.30 H new ATOM 0 HG23 VAL A 45 6.671 -1.170 4.402 1.00 0.30 H new ATOM 673 N VAL A 46 2.066 -0.007 5.593 1.00 0.24 N ATOM 674 CA VAL A 46 0.773 0.456 6.047 1.00 0.23 C ATOM 675 C VAL A 46 0.696 0.133 7.525 1.00 0.23 C ATOM 676 O VAL A 46 0.929 -1.016 7.893 1.00 0.31 O ATOM 677 CB VAL A 46 -0.284 -0.288 5.220 1.00 0.37 C ATOM 678 CG1 VAL A 46 -1.544 -0.683 5.986 1.00 0.73 C ATOM 679 CG2 VAL A 46 -0.692 0.583 4.038 1.00 0.37 C ATOM 0 H VAL A 46 2.267 -0.963 5.887 1.00 0.24 H new ATOM 0 HA VAL A 46 0.611 1.526 5.918 1.00 0.23 H new ATOM 0 HB VAL A 46 0.188 -1.220 4.910 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -2.229 -1.203 5.316 1.00 0.73 H new ATOM 0 HG12 VAL A 46 -1.276 -1.341 6.813 1.00 0.73 H new ATOM 0 HG13 VAL A 46 -2.028 0.212 6.377 1.00 0.73 H new ATOM 0 HG21 VAL A 46 -1.443 0.062 3.444 1.00 0.37 H new ATOM 0 HG22 VAL A 46 -1.106 1.522 4.404 1.00 0.37 H new ATOM 0 HG23 VAL A 46 0.181 0.788 3.419 1.00 0.37 H new ATOM 689 N ASP A 47 0.364 1.128 8.346 1.00 0.21 N ATOM 690 CA ASP A 47 0.086 0.932 9.755 1.00 0.25 C ATOM 691 C ASP A 47 -1.420 0.852 9.889 1.00 0.34 C ATOM 692 O ASP A 47 -2.118 1.775 9.465 1.00 0.67 O ATOM 693 CB ASP A 47 0.607 2.107 10.564 1.00 0.43 C ATOM 694 CG ASP A 47 0.540 1.785 12.047 1.00 2.25 C ATOM 695 OD1 ASP A 47 -0.564 1.970 12.602 1.00 3.89 O ATOM 696 OD2 ASP A 47 1.578 1.347 12.588 1.00 2.82 O ATOM 0 H ASP A 47 0.282 2.098 8.043 1.00 0.21 H new ATOM 0 HA ASP A 47 0.571 0.029 10.125 1.00 0.25 H new ATOM 0 HB2 ASP A 47 1.635 2.329 10.278 1.00 0.43 H new ATOM 0 HB3 ASP A 47 0.016 2.998 10.349 1.00 0.43 H new ATOM 701 N ALA A 48 -1.924 -0.267 10.394 1.00 0.24 N ATOM 702 CA ALA A 48 -3.357 -0.472 10.499 1.00 0.32 C ATOM 703 C ALA A 48 -3.665 -1.474 11.597 1.00 0.63 C ATOM 704 O ALA A 48 -3.147 -2.589 11.578 1.00 0.93 O ATOM 705 CB ALA A 48 -3.919 -0.958 9.166 1.00 0.31 C ATOM 0 H ALA A 48 -1.359 -1.044 10.736 1.00 0.24 H new ATOM 0 HA ALA A 48 -3.829 0.478 10.751 1.00 0.32 H new ATOM 0 HB1 ALA A 48 -4.995 -1.108 9.258 1.00 0.31 H new ATOM 0 HB2 ALA A 48 -3.721 -0.214 8.395 1.00 0.31 H new ATOM 0 HB3 ALA A 48 -3.443 -1.900 8.892 1.00 0.31 H new ATOM 711 N ASP A 49 -4.559 -1.090 12.507 1.00 0.72 N ATOM 712 CA ASP A 49 -4.823 -1.845 13.730 1.00 0.98 C ATOM 713 C ASP A 49 -6.248 -2.355 13.710 1.00 0.92 C ATOM 714 O ASP A 49 -7.059 -2.074 14.589 1.00 1.07 O ATOM 715 CB ASP A 49 -4.579 -0.972 14.959 1.00 1.22 C ATOM 716 CG ASP A 49 -3.131 -0.562 15.091 1.00 1.54 C ATOM 717 OD1 ASP A 49 -2.258 -1.388 14.753 1.00 2.72 O ATOM 718 OD2 ASP A 49 -2.935 0.604 15.489 1.00 1.78 O ATOM 0 H ASP A 49 -5.122 -0.244 12.416 1.00 0.72 H new ATOM 0 HA ASP A 49 -4.143 -2.695 13.781 1.00 0.98 H new ATOM 0 HB2 ASP A 49 -5.203 -0.080 14.899 1.00 1.22 H new ATOM 0 HB3 ASP A 49 -4.884 -1.514 15.854 1.00 1.22 H new ATOM 723 N ASN A 50 -6.555 -3.117 12.670 1.00 0.75 N ATOM 724 CA ASN A 50 -7.863 -3.720 12.500 1.00 0.59 C ATOM 725 C ASN A 50 -7.633 -4.799 11.463 1.00 0.68 C ATOM 726 O ASN A 50 -7.073 -5.834 11.814 1.00 1.12 O ATOM 727 CB ASN A 50 -9.003 -2.711 12.194 1.00 0.63 C ATOM 728 CG ASN A 50 -8.615 -1.251 11.930 1.00 2.20 C ATOM 729 OD1 ASN A 50 -9.319 -0.343 12.359 1.00 2.97 O ATOM 730 ND2 ASN A 50 -7.531 -0.988 11.204 1.00 3.40 N ATOM 0 H ASN A 50 -5.899 -3.333 11.919 1.00 0.75 H new ATOM 0 HA ASN A 50 -8.250 -4.147 13.425 1.00 0.59 H new ATOM 0 HB2 ASN A 50 -9.548 -3.075 11.323 1.00 0.63 H new ATOM 0 HB3 ASN A 50 -9.698 -2.726 13.034 1.00 0.63 H new ATOM 0 HD21 ASN A 50 -7.277 -0.022 10.998 1.00 3.40 H new ATOM 0 HD22 ASN A 50 -6.954 -1.753 10.853 1.00 3.40 H new ATOM 737 N ASP A 51 -7.935 -4.530 10.191 1.00 0.60 N ATOM 738 CA ASP A 51 -7.483 -5.372 9.101 1.00 0.62 C ATOM 739 C ASP A 51 -7.830 -4.709 7.781 1.00 0.54 C ATOM 740 O ASP A 51 -9.004 -4.600 7.430 1.00 0.90 O ATOM 741 CB ASP A 51 -8.152 -6.744 9.132 1.00 0.93 C ATOM 742 CG ASP A 51 -7.297 -7.786 8.408 1.00 1.11 C ATOM 743 OD1 ASP A 51 -6.374 -7.407 7.650 1.00 2.24 O ATOM 744 OD2 ASP A 51 -7.503 -8.992 8.658 1.00 2.03 O ATOM 0 H ASP A 51 -8.494 -3.729 9.898 1.00 0.60 H new ATOM 0 HA ASP A 51 -6.406 -5.503 9.208 1.00 0.62 H new ATOM 0 HB2 ASP A 51 -8.310 -7.052 10.165 1.00 0.93 H new ATOM 0 HB3 ASP A 51 -9.134 -6.685 8.663 1.00 0.93 H new ATOM 749 N ILE A 52 -6.821 -4.231 7.063 1.00 0.44 N ATOM 750 CA ILE A 52 -7.032 -3.722 5.721 1.00 0.45 C ATOM 751 C ILE A 52 -5.972 -4.129 4.729 1.00 0.48 C ATOM 752 O ILE A 52 -6.232 -3.974 3.557 1.00 0.27 O ATOM 753 CB ILE A 52 -7.190 -2.205 5.691 1.00 0.44 C ATOM 754 CG1 ILE A 52 -6.042 -1.503 6.417 1.00 0.46 C ATOM 755 CG2 ILE A 52 -8.536 -1.788 6.250 1.00 0.45 C ATOM 756 CD1 ILE A 52 -4.862 -1.299 5.485 1.00 0.54 C ATOM 0 H ILE A 52 -5.855 -4.187 7.388 1.00 0.44 H new ATOM 0 HA ILE A 52 -7.966 -4.190 5.411 1.00 0.45 H new ATOM 0 HB ILE A 52 -7.150 -1.891 4.648 1.00 0.44 H new ATOM 0 HG12 ILE A 52 -6.381 -0.540 6.798 1.00 0.46 H new ATOM 0 HG13 ILE A 52 -5.733 -2.096 7.278 1.00 0.46 H new ATOM 0 HG21 ILE A 52 -8.623 -0.702 6.217 1.00 0.45 H new ATOM 0 HG22 ILE A 52 -9.332 -2.234 5.653 1.00 0.45 H new ATOM 0 HG23 ILE A 52 -8.622 -2.128 7.282 1.00 0.45 H new ATOM 0 HD11 ILE A 52 -4.057 -0.798 6.022 1.00 0.54 H new ATOM 0 HD12 ILE A 52 -4.511 -2.266 5.125 1.00 0.54 H new ATOM 0 HD13 ILE A 52 -5.169 -0.686 4.638 1.00 0.54 H new ATOM 768 N ARG A 53 -4.794 -4.612 5.112 1.00 0.84 N ATOM 769 CA ARG A 53 -3.797 -5.113 4.168 1.00 0.59 C ATOM 770 C ARG A 53 -4.399 -5.880 2.980 1.00 0.43 C ATOM 771 O ARG A 53 -4.075 -5.599 1.832 1.00 0.31 O ATOM 772 CB ARG A 53 -2.785 -6.008 4.892 1.00 0.62 C ATOM 773 CG ARG A 53 -3.532 -6.774 5.975 1.00 0.67 C ATOM 774 CD ARG A 53 -3.162 -8.229 6.130 1.00 1.31 C ATOM 775 NE ARG A 53 -4.122 -8.808 7.094 1.00 1.81 N ATOM 776 CZ ARG A 53 -4.344 -10.111 7.306 1.00 2.33 C ATOM 777 NH1 ARG A 53 -3.479 -11.009 6.825 1.00 2.43 N ATOM 778 NH2 ARG A 53 -5.427 -10.509 7.980 1.00 2.93 N ATOM 0 H ARG A 53 -4.502 -4.668 6.088 1.00 0.84 H new ATOM 0 HA ARG A 53 -3.305 -4.232 3.757 1.00 0.59 H new ATOM 0 HB2 ARG A 53 -2.315 -6.698 4.191 1.00 0.62 H new ATOM 0 HB3 ARG A 53 -1.988 -5.407 5.330 1.00 0.62 H new ATOM 0 HG2 ARG A 53 -3.364 -6.273 6.928 1.00 0.67 H new ATOM 0 HG3 ARG A 53 -4.600 -6.711 5.766 1.00 0.67 H new ATOM 0 HD2 ARG A 53 -3.215 -8.746 5.172 1.00 1.31 H new ATOM 0 HD3 ARG A 53 -2.139 -8.332 6.492 1.00 1.31 H new ATOM 0 HE ARG A 53 -4.668 -8.151 7.651 1.00 1.81 H new ATOM 0 HH11 ARG A 53 -2.660 -10.699 6.302 1.00 2.43 H new ATOM 0 HH12 ARG A 53 -3.638 -12.004 6.980 1.00 2.43 H new ATOM 0 HH21 ARG A 53 -6.089 -9.819 8.335 1.00 2.93 H new ATOM 0 HH22 ARG A 53 -5.592 -11.503 8.139 1.00 2.93 H new ATOM 792 N ALA A 54 -5.304 -6.820 3.250 1.00 0.51 N ATOM 793 CA ALA A 54 -5.970 -7.583 2.210 1.00 0.46 C ATOM 794 C ALA A 54 -6.811 -6.660 1.307 1.00 0.34 C ATOM 795 O ALA A 54 -6.860 -6.822 0.086 1.00 0.45 O ATOM 796 CB ALA A 54 -6.757 -8.704 2.874 1.00 0.62 C ATOM 0 H ALA A 54 -5.592 -7.069 4.196 1.00 0.51 H new ATOM 0 HA ALA A 54 -5.250 -8.046 1.535 1.00 0.46 H new ATOM 0 HB1 ALA A 54 -7.267 -9.292 2.111 1.00 0.62 H new ATOM 0 HB2 ALA A 54 -6.075 -9.346 3.432 1.00 0.62 H new ATOM 0 HB3 ALA A 54 -7.493 -8.278 3.556 1.00 0.62 H new ATOM 802 N GLN A 55 -7.419 -5.638 1.916 1.00 0.27 N ATOM 803 CA GLN A 55 -8.033 -4.505 1.240 1.00 0.24 C ATOM 804 C GLN A 55 -7.014 -3.713 0.414 1.00 0.21 C ATOM 805 O GLN A 55 -7.277 -3.397 -0.741 1.00 0.22 O ATOM 806 CB GLN A 55 -8.797 -3.603 2.227 1.00 0.34 C ATOM 807 CG GLN A 55 -10.311 -3.565 1.989 1.00 0.95 C ATOM 808 CD GLN A 55 -11.004 -4.795 2.561 1.00 1.52 C ATOM 809 OE1 GLN A 55 -11.475 -5.651 1.823 1.00 3.05 O ATOM 810 NE2 GLN A 55 -11.082 -4.885 3.887 1.00 1.20 N ATOM 0 H GLN A 55 -7.497 -5.580 2.931 1.00 0.27 H new ATOM 0 HA GLN A 55 -8.765 -4.906 0.539 1.00 0.24 H new ATOM 0 HB2 GLN A 55 -8.607 -3.950 3.243 1.00 0.34 H new ATOM 0 HB3 GLN A 55 -8.403 -2.589 2.158 1.00 0.34 H new ATOM 0 HG2 GLN A 55 -10.728 -2.667 2.445 1.00 0.95 H new ATOM 0 HG3 GLN A 55 -10.509 -3.500 0.919 1.00 0.95 H new ATOM 0 HE21 GLN A 55 -10.679 -4.154 4.472 1.00 1.20 H new ATOM 0 HE22 GLN A 55 -11.545 -5.685 4.317 1.00 1.20 H new ATOM 819 N VAL A 56 -5.857 -3.378 0.986 1.00 0.22 N ATOM 820 CA VAL A 56 -4.817 -2.622 0.319 1.00 0.22 C ATOM 821 C VAL A 56 -4.404 -3.362 -0.944 1.00 0.18 C ATOM 822 O VAL A 56 -4.316 -2.776 -2.015 1.00 0.20 O ATOM 823 CB VAL A 56 -3.595 -2.409 1.197 1.00 0.29 C ATOM 824 CG1 VAL A 56 -2.500 -1.673 0.419 1.00 0.38 C ATOM 825 CG2 VAL A 56 -3.954 -1.596 2.431 1.00 0.34 C ATOM 0 H VAL A 56 -5.620 -3.633 1.945 1.00 0.22 H new ATOM 0 HA VAL A 56 -5.222 -1.638 0.083 1.00 0.22 H new ATOM 0 HB VAL A 56 -3.231 -3.389 1.504 1.00 0.29 H new ATOM 0 HG11 VAL A 56 -1.632 -1.528 1.062 1.00 0.38 H new ATOM 0 HG12 VAL A 56 -2.213 -2.263 -0.451 1.00 0.38 H new ATOM 0 HG13 VAL A 56 -2.875 -0.703 0.092 1.00 0.38 H new ATOM 0 HG21 VAL A 56 -3.065 -1.455 3.045 1.00 0.34 H new ATOM 0 HG22 VAL A 56 -4.342 -0.624 2.126 1.00 0.34 H new ATOM 0 HG23 VAL A 56 -4.713 -2.125 3.007 1.00 0.34 H new ATOM 835 N GLU A 57 -4.116 -4.657 -0.811 1.00 0.20 N ATOM 836 CA GLU A 57 -3.501 -5.414 -1.878 1.00 0.23 C ATOM 837 C GLU A 57 -4.515 -5.617 -2.993 1.00 0.24 C ATOM 838 O GLU A 57 -4.225 -5.351 -4.158 1.00 0.31 O ATOM 839 CB GLU A 57 -2.841 -6.676 -1.316 1.00 0.36 C ATOM 840 CG GLU A 57 -3.767 -7.770 -0.802 1.00 0.70 C ATOM 841 CD GLU A 57 -2.995 -8.895 -0.114 1.00 1.71 C ATOM 842 OE1 GLU A 57 -1.751 -8.906 -0.243 1.00 2.71 O ATOM 843 OE2 GLU A 57 -3.670 -9.726 0.531 1.00 2.60 O ATOM 0 H GLU A 57 -4.304 -5.197 0.034 1.00 0.20 H new ATOM 0 HA GLU A 57 -2.676 -4.873 -2.342 1.00 0.23 H new ATOM 0 HB2 GLU A 57 -2.211 -7.104 -2.095 1.00 0.36 H new ATOM 0 HB3 GLU A 57 -2.182 -6.379 -0.500 1.00 0.36 H new ATOM 0 HG2 GLU A 57 -4.483 -7.340 -0.101 1.00 0.70 H new ATOM 0 HG3 GLU A 57 -4.341 -8.179 -1.633 1.00 0.70 H new ATOM 850 N SER A 58 -5.744 -5.962 -2.608 1.00 0.28 N ATOM 851 CA SER A 58 -6.899 -5.860 -3.476 1.00 0.35 C ATOM 852 C SER A 58 -6.960 -4.496 -4.179 1.00 0.31 C ATOM 853 O SER A 58 -7.160 -4.430 -5.391 1.00 0.40 O ATOM 854 CB SER A 58 -8.149 -6.091 -2.629 1.00 0.46 C ATOM 855 OG SER A 58 -8.213 -7.437 -2.209 1.00 2.13 O ATOM 0 H SER A 58 -5.959 -6.321 -1.678 1.00 0.28 H new ATOM 0 HA SER A 58 -6.831 -6.612 -4.262 1.00 0.35 H new ATOM 0 HB2 SER A 58 -8.135 -5.432 -1.761 1.00 0.46 H new ATOM 0 HB3 SER A 58 -9.039 -5.840 -3.206 1.00 0.46 H new ATOM 0 HG SER A 58 -7.769 -7.530 -1.341 1.00 2.13 H new ATOM 861 N ALA A 59 -6.808 -3.401 -3.431 1.00 0.26 N ATOM 862 CA ALA A 59 -6.991 -2.053 -3.961 1.00 0.32 C ATOM 863 C ALA A 59 -5.932 -1.750 -5.016 1.00 0.35 C ATOM 864 O ALA A 59 -6.258 -1.349 -6.130 1.00 0.46 O ATOM 865 CB ALA A 59 -6.965 -1.009 -2.838 1.00 0.35 C ATOM 0 H ALA A 59 -6.555 -3.426 -2.443 1.00 0.26 H new ATOM 0 HA ALA A 59 -7.972 -2.002 -4.434 1.00 0.32 H new ATOM 0 HB1 ALA A 59 -7.104 -0.015 -3.262 1.00 0.35 H new ATOM 0 HB2 ALA A 59 -7.767 -1.216 -2.130 1.00 0.35 H new ATOM 0 HB3 ALA A 59 -6.006 -1.053 -2.323 1.00 0.35 H new ATOM 871 N LEU A 60 -4.667 -1.961 -4.664 1.00 0.26 N ATOM 872 CA LEU A 60 -3.518 -1.830 -5.546 1.00 0.28 C ATOM 873 C LEU A 60 -3.696 -2.696 -6.788 1.00 0.32 C ATOM 874 O LEU A 60 -3.480 -2.235 -7.908 1.00 0.37 O ATOM 875 CB LEU A 60 -2.256 -2.235 -4.774 1.00 0.27 C ATOM 876 CG LEU A 60 -1.560 -1.003 -4.184 1.00 0.31 C ATOM 877 CD1 LEU A 60 -2.441 -0.182 -3.253 1.00 0.34 C ATOM 878 CD2 LEU A 60 -0.378 -1.368 -3.302 1.00 0.51 C ATOM 0 H LEU A 60 -4.407 -2.239 -3.718 1.00 0.26 H new ATOM 0 HA LEU A 60 -3.424 -0.796 -5.877 1.00 0.28 H new ATOM 0 HB2 LEU A 60 -2.520 -2.927 -3.974 1.00 0.27 H new ATOM 0 HB3 LEU A 60 -1.571 -2.762 -5.438 1.00 0.27 H new ATOM 0 HG LEU A 60 -1.278 -0.445 -5.077 1.00 0.31 H new ATOM 0 HD11 LEU A 60 -1.877 0.672 -2.877 1.00 0.34 H new ATOM 0 HD12 LEU A 60 -3.315 0.173 -3.798 1.00 0.34 H new ATOM 0 HD13 LEU A 60 -2.762 -0.802 -2.416 1.00 0.34 H new ATOM 0 HD21 LEU A 60 0.078 -0.459 -2.910 1.00 0.51 H new ATOM 0 HD22 LEU A 60 -0.720 -1.988 -2.474 1.00 0.51 H new ATOM 0 HD23 LEU A 60 0.357 -1.919 -3.888 1.00 0.51 H new ATOM 890 N GLN A 61 -4.095 -3.951 -6.598 1.00 0.33 N ATOM 891 CA GLN A 61 -4.331 -4.856 -7.701 1.00 0.41 C ATOM 892 C GLN A 61 -5.387 -4.274 -8.640 1.00 0.46 C ATOM 893 O GLN A 61 -5.173 -4.216 -9.848 1.00 0.49 O ATOM 894 CB GLN A 61 -4.669 -6.240 -7.147 1.00 0.42 C ATOM 895 CG GLN A 61 -4.857 -7.252 -8.275 1.00 0.57 C ATOM 896 CD GLN A 61 -4.647 -8.676 -7.777 1.00 1.11 C ATOM 897 OE1 GLN A 61 -5.594 -9.441 -7.627 1.00 1.57 O ATOM 898 NE2 GLN A 61 -3.395 -9.040 -7.516 1.00 1.39 N ATOM 0 H GLN A 61 -4.261 -4.360 -5.678 1.00 0.33 H new ATOM 0 HA GLN A 61 -3.436 -4.977 -8.311 1.00 0.41 H new ATOM 0 HB2 GLN A 61 -3.872 -6.574 -6.483 1.00 0.42 H new ATOM 0 HB3 GLN A 61 -5.579 -6.184 -6.549 1.00 0.42 H new ATOM 0 HG2 GLN A 61 -5.859 -7.154 -8.692 1.00 0.57 H new ATOM 0 HG3 GLN A 61 -4.154 -7.038 -9.080 1.00 0.57 H new ATOM 0 HE21 GLN A 61 -2.632 -8.377 -7.653 1.00 1.39 H new ATOM 0 HE22 GLN A 61 -3.198 -9.982 -7.179 1.00 1.39 H new ATOM 907 N LYS A 62 -6.505 -3.796 -8.089 1.00 0.50 N ATOM 908 CA LYS A 62 -7.557 -3.182 -8.883 1.00 0.61 C ATOM 909 C LYS A 62 -7.092 -1.892 -9.569 1.00 0.61 C ATOM 910 O LYS A 62 -7.478 -1.627 -10.704 1.00 0.68 O ATOM 911 CB LYS A 62 -8.790 -2.952 -8.000 1.00 0.71 C ATOM 912 CG LYS A 62 -10.052 -3.429 -8.725 1.00 1.24 C ATOM 913 CD LYS A 62 -11.206 -3.658 -7.745 1.00 1.79 C ATOM 914 CE LYS A 62 -12.144 -2.452 -7.600 1.00 2.87 C ATOM 915 NZ LYS A 62 -11.459 -1.278 -7.022 1.00 3.94 N ATOM 0 H LYS A 62 -6.700 -3.826 -7.088 1.00 0.50 H new ATOM 0 HA LYS A 62 -7.824 -3.864 -9.691 1.00 0.61 H new ATOM 0 HB2 LYS A 62 -8.678 -3.488 -7.058 1.00 0.71 H new ATOM 0 HB3 LYS A 62 -8.880 -1.894 -7.755 1.00 0.71 H new ATOM 0 HG2 LYS A 62 -10.347 -2.690 -9.470 1.00 1.24 H new ATOM 0 HG3 LYS A 62 -9.838 -4.354 -9.260 1.00 1.24 H new ATOM 0 HD2 LYS A 62 -11.786 -4.520 -8.076 1.00 1.79 H new ATOM 0 HD3 LYS A 62 -10.795 -3.907 -6.766 1.00 1.79 H new ATOM 0 HE2 LYS A 62 -12.549 -2.189 -8.577 1.00 2.87 H new ATOM 0 HE3 LYS A 62 -12.989 -2.725 -6.968 1.00 2.87 H new ATOM 0 HZ1 LYS A 62 -12.164 -0.562 -6.754 1.00 3.94 H new ATOM 0 HZ2 LYS A 62 -10.923 -1.569 -6.179 1.00 3.94 H new ATOM 0 HZ3 LYS A 62 -10.807 -0.876 -7.725 1.00 3.94 H new ATOM 929 N ALA A 63 -6.297 -1.076 -8.872 1.00 0.57 N ATOM 930 CA ALA A 63 -5.731 0.153 -9.414 1.00 0.60 C ATOM 931 C ALA A 63 -4.796 -0.161 -10.584 1.00 0.60 C ATOM 932 O ALA A 63 -4.780 0.570 -11.571 1.00 0.71 O ATOM 933 CB ALA A 63 -5.006 0.924 -8.308 1.00 0.57 C ATOM 0 H ALA A 63 -6.028 -1.256 -7.905 1.00 0.57 H new ATOM 0 HA ALA A 63 -6.535 0.782 -9.795 1.00 0.60 H new ATOM 0 HB1 ALA A 63 -4.585 1.841 -8.720 1.00 0.57 H new ATOM 0 HB2 ALA A 63 -5.711 1.172 -7.515 1.00 0.57 H new ATOM 0 HB3 ALA A 63 -4.204 0.308 -7.901 1.00 0.57 H new ATOM 939 N GLY A 64 -4.034 -1.253 -10.467 1.00 0.52 N ATOM 940 CA GLY A 64 -3.230 -1.818 -11.541 1.00 0.54 C ATOM 941 C GLY A 64 -1.768 -1.974 -11.131 1.00 0.45 C ATOM 942 O GLY A 64 -0.876 -1.624 -11.901 1.00 0.48 O ATOM 0 H GLY A 64 -3.962 -1.779 -9.596 1.00 0.52 H new ATOM 0 HA2 GLY A 64 -3.634 -2.790 -11.825 1.00 0.54 H new ATOM 0 HA3 GLY A 64 -3.295 -1.177 -12.420 1.00 0.54 H new ATOM 946 N TYR A 65 -1.515 -2.505 -9.931 1.00 0.41 N ATOM 947 CA TYR A 65 -0.187 -2.813 -9.434 1.00 0.35 C ATOM 948 C TYR A 65 -0.084 -4.305 -9.114 1.00 0.39 C ATOM 949 O TYR A 65 -1.094 -4.975 -8.907 1.00 0.63 O ATOM 950 CB TYR A 65 0.061 -1.975 -8.182 1.00 0.31 C ATOM 951 CG TYR A 65 0.096 -0.479 -8.423 1.00 0.35 C ATOM 952 CD1 TYR A 65 1.222 0.115 -9.021 1.00 1.73 C ATOM 953 CD2 TYR A 65 -1.017 0.315 -8.089 1.00 1.74 C ATOM 954 CE1 TYR A 65 1.236 1.496 -9.287 1.00 1.76 C ATOM 955 CE2 TYR A 65 -1.006 1.694 -8.358 1.00 1.76 C ATOM 956 CZ TYR A 65 0.115 2.282 -8.967 1.00 0.53 C ATOM 957 OH TYR A 65 0.105 3.617 -9.244 1.00 0.69 O ATOM 0 H TYR A 65 -2.254 -2.736 -9.267 1.00 0.41 H new ATOM 0 HA TYR A 65 0.565 -2.578 -10.187 1.00 0.35 H new ATOM 0 HB2 TYR A 65 -0.719 -2.195 -7.453 1.00 0.31 H new ATOM 0 HB3 TYR A 65 1.008 -2.281 -7.737 1.00 0.31 H new ATOM 0 HD1 TYR A 65 2.078 -0.491 -9.277 1.00 1.73 H new ATOM 0 HD2 TYR A 65 -1.881 -0.137 -7.625 1.00 1.74 H new ATOM 0 HE1 TYR A 65 2.106 1.952 -9.736 1.00 1.76 H new ATOM 0 HE2 TYR A 65 -1.859 2.302 -8.097 1.00 1.76 H new ATOM 0 HH TYR A 65 -0.748 4.004 -8.957 1.00 0.69 H new ATOM 967 N SER A 66 1.146 -4.810 -9.032 1.00 0.38 N ATOM 968 CA SER A 66 1.458 -6.204 -8.757 1.00 0.44 C ATOM 969 C SER A 66 2.303 -6.252 -7.490 1.00 0.43 C ATOM 970 O SER A 66 3.526 -6.384 -7.550 1.00 0.64 O ATOM 971 CB SER A 66 2.171 -6.827 -9.960 1.00 0.61 C ATOM 972 OG SER A 66 1.298 -6.833 -11.073 1.00 1.38 O ATOM 0 H SER A 66 1.979 -4.236 -9.160 1.00 0.38 H new ATOM 0 HA SER A 66 0.552 -6.788 -8.596 1.00 0.44 H new ATOM 0 HB2 SER A 66 3.073 -6.262 -10.195 1.00 0.61 H new ATOM 0 HB3 SER A 66 2.484 -7.844 -9.724 1.00 0.61 H new ATOM 0 HG SER A 66 1.754 -7.230 -11.844 1.00 1.38 H new ATOM 978 N LEU A 67 1.626 -6.104 -6.350 1.00 0.32 N ATOM 979 CA LEU A 67 2.216 -6.275 -5.030 1.00 0.32 C ATOM 980 C LEU A 67 2.262 -7.732 -4.593 1.00 0.35 C ATOM 981 O LEU A 67 1.563 -8.578 -5.148 1.00 0.38 O ATOM 982 CB LEU A 67 1.601 -5.362 -3.995 1.00 0.36 C ATOM 983 CG LEU A 67 0.516 -5.964 -3.127 1.00 0.72 C ATOM 984 CD1 LEU A 67 0.036 -4.715 -2.407 1.00 1.43 C ATOM 985 CD2 LEU A 67 -0.594 -6.644 -3.924 1.00 1.90 C ATOM 0 H LEU A 67 0.637 -5.858 -6.322 1.00 0.32 H new ATOM 0 HA LEU A 67 3.256 -5.961 -5.117 1.00 0.32 H new ATOM 0 HB2 LEU A 67 2.396 -4.998 -3.345 1.00 0.36 H new ATOM 0 HB3 LEU A 67 1.186 -4.494 -4.508 1.00 0.36 H new ATOM 0 HG LEU A 67 0.857 -6.771 -2.479 1.00 0.72 H new ATOM 0 HD11 LEU A 67 -0.770 -4.977 -1.721 1.00 1.43 H new ATOM 0 HD12 LEU A 67 0.862 -4.278 -1.846 1.00 1.43 H new ATOM 0 HD13 LEU A 67 -0.329 -3.992 -3.137 1.00 1.43 H new ATOM 0 HD21 LEU A 67 -1.336 -7.052 -3.238 1.00 1.90 H new ATOM 0 HD22 LEU A 67 -1.069 -5.915 -4.581 1.00 1.90 H new ATOM 0 HD23 LEU A 67 -0.170 -7.450 -4.523 1.00 1.90 H new ATOM 997 N ARG A 68 3.038 -8.004 -3.545 1.00 0.37 N ATOM 998 CA ARG A 68 2.843 -9.181 -2.727 1.00 0.37 C ATOM 999 C ARG A 68 3.211 -8.864 -1.280 1.00 0.36 C ATOM 1000 O ARG A 68 4.091 -8.040 -1.044 1.00 0.40 O ATOM 1001 CB ARG A 68 3.643 -10.358 -3.300 1.00 0.52 C ATOM 1002 CG ARG A 68 3.204 -11.637 -2.585 1.00 0.74 C ATOM 1003 CD ARG A 68 3.411 -12.916 -3.412 1.00 1.14 C ATOM 1004 NE ARG A 68 4.738 -13.526 -3.230 1.00 2.19 N ATOM 1005 CZ ARG A 68 5.083 -14.293 -2.181 1.00 3.39 C ATOM 1006 NH1 ARG A 68 4.304 -14.321 -1.093 1.00 4.41 N ATOM 1007 NH2 ARG A 68 6.195 -15.036 -2.228 1.00 4.58 N ATOM 0 H ARG A 68 3.814 -7.412 -3.247 1.00 0.37 H new ATOM 0 HA ARG A 68 1.794 -9.478 -2.738 1.00 0.37 H new ATOM 0 HB2 ARG A 68 3.472 -10.446 -4.373 1.00 0.52 H new ATOM 0 HB3 ARG A 68 4.711 -10.194 -3.160 1.00 0.52 H new ATOM 0 HG2 ARG A 68 3.757 -11.727 -1.650 1.00 0.74 H new ATOM 0 HG3 ARG A 68 2.149 -11.552 -2.324 1.00 0.74 H new ATOM 0 HD2 ARG A 68 2.646 -13.643 -3.140 1.00 1.14 H new ATOM 0 HD3 ARG A 68 3.269 -12.683 -4.467 1.00 1.14 H new ATOM 0 HE ARG A 68 5.443 -13.356 -3.947 1.00 2.19 H new ATOM 0 HH11 ARG A 68 3.452 -13.762 -1.062 1.00 4.41 H new ATOM 0 HH12 ARG A 68 4.563 -14.902 -0.295 1.00 4.41 H new ATOM 0 HH21 ARG A 68 6.783 -15.021 -3.061 1.00 4.58 H new ATOM 0 HH22 ARG A 68 6.454 -15.617 -1.431 1.00 4.58 H new ATOM 1021 N ASP A 69 2.513 -9.516 -0.343 1.00 0.44 N ATOM 1022 CA ASP A 69 2.754 -9.501 1.094 1.00 0.55 C ATOM 1023 C ASP A 69 4.244 -9.634 1.438 1.00 0.56 C ATOM 1024 O ASP A 69 4.924 -10.517 0.911 1.00 0.72 O ATOM 1025 CB ASP A 69 1.919 -10.629 1.719 1.00 0.73 C ATOM 1026 CG ASP A 69 2.267 -10.842 3.185 1.00 1.68 C ATOM 1027 OD1 ASP A 69 3.247 -11.583 3.433 1.00 2.88 O ATOM 1028 OD2 ASP A 69 1.586 -10.239 4.038 1.00 2.41 O ATOM 0 H ASP A 69 1.716 -10.103 -0.589 1.00 0.44 H new ATOM 0 HA ASP A 69 2.451 -8.538 1.505 1.00 0.55 H new ATOM 0 HB2 ASP A 69 0.859 -10.391 1.628 1.00 0.73 H new ATOM 0 HB3 ASP A 69 2.086 -11.554 1.167 1.00 0.73 H new ATOM 1033 N GLU A 70 4.720 -8.758 2.332 1.00 0.57 N ATOM 1034 CA GLU A 70 5.980 -8.884 3.053 1.00 0.61 C ATOM 1035 C GLU A 70 5.665 -9.014 4.549 1.00 0.65 C ATOM 1036 O GLU A 70 6.214 -8.293 5.383 1.00 0.74 O ATOM 1037 CB GLU A 70 6.843 -7.646 2.794 1.00 0.68 C ATOM 1038 CG GLU A 70 7.653 -7.716 1.505 1.00 0.87 C ATOM 1039 CD GLU A 70 8.487 -6.448 1.346 1.00 1.12 C ATOM 1040 OE1 GLU A 70 8.014 -5.389 1.821 1.00 2.19 O ATOM 1041 OE2 GLU A 70 9.589 -6.577 0.766 1.00 1.59 O ATOM 0 H GLU A 70 4.212 -7.909 2.578 1.00 0.57 H new ATOM 0 HA GLU A 70 6.529 -9.763 2.716 1.00 0.61 H new ATOM 0 HB2 GLU A 70 6.199 -6.767 2.760 1.00 0.68 H new ATOM 0 HB3 GLU A 70 7.525 -7.509 3.633 1.00 0.68 H new ATOM 0 HG2 GLU A 70 8.304 -8.590 1.521 1.00 0.87 H new ATOM 0 HG3 GLU A 70 6.985 -7.832 0.651 1.00 0.87 H new