USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 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 28 GLN : amide:sc= 0.986 K(o=2.2,f=-8.4!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 156:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.451 K(o=1.2,f=-0.51) USER MOD Set 2.2: A 34 GLN : amide:sc= 0.778 K(o=1.2,f=0.44) USER MOD Single : A 4 THR OG1 : rot 23:sc= 0.279 USER MOD Single : A 6 TYR OH : rot 150:sc= -0.186 USER MOD Single : A 7 SER OG : rot 130:sc= 0.941 USER MOD Single : A 9 LYS NZ :NH3+ -113:sc= 1.24 (180deg=-0.221) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -162:sc= -0.0282 (180deg=-0.355) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.0149 USER MOD Single : A 18 CYS SG : rot -32:sc= 0.506 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.123 X(o=0.12,f=-0.11) USER MOD Single : A 36 GLN : amide:sc= 1.12 K(o=1.1,f=-0.23) USER MOD Single : A 41 THR OG1 : rot -150:sc= 0.00519 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.148 K(o=0.15,f=-0.62) 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= 1.14 K(o=1.1,f=-0.14) USER MOD Single : A 65 TYR OH : rot 100:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0287 F(o=-0.6,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -5.148 4.191 -12.543 1.00 0.50 N ATOM 20 CA THR A 4 -5.637 2.850 -12.279 1.00 0.42 C ATOM 21 C THR A 4 -5.507 2.569 -10.791 1.00 0.36 C ATOM 22 O THR A 4 -4.554 3.002 -10.141 1.00 0.46 O ATOM 23 CB THR A 4 -4.834 1.833 -13.089 1.00 0.51 C ATOM 24 OG1 THR A 4 -4.780 2.247 -14.427 1.00 0.92 O ATOM 25 CG2 THR A 4 -5.444 0.428 -13.056 1.00 0.67 C ATOM 0 HA THR A 4 -6.683 2.769 -12.574 1.00 0.42 H new ATOM 0 HB THR A 4 -3.843 1.784 -12.638 1.00 0.51 H new ATOM 0 HG1 THR A 4 -4.922 3.215 -14.476 1.00 0.92 H new ATOM 0 HG21 THR A 4 -4.830 -0.249 -13.649 1.00 0.67 H new ATOM 0 HG22 THR A 4 -5.485 0.073 -12.026 1.00 0.67 H new ATOM 0 HG23 THR A 4 -6.452 0.459 -13.469 1.00 0.67 H new ATOM 33 N ARG A 5 -6.483 1.820 -10.287 1.00 0.34 N ATOM 34 CA ARG A 5 -6.629 1.511 -8.885 1.00 0.36 C ATOM 35 C ARG A 5 -6.068 0.122 -8.607 1.00 0.33 C ATOM 36 O ARG A 5 -6.648 -0.884 -9.006 1.00 0.69 O ATOM 37 CB ARG A 5 -8.110 1.546 -8.527 1.00 0.51 C ATOM 38 CG ARG A 5 -8.267 1.327 -7.016 1.00 0.59 C ATOM 39 CD ARG A 5 -9.632 0.718 -6.711 1.00 0.90 C ATOM 40 NE ARG A 5 -9.525 -0.369 -5.722 1.00 2.57 N ATOM 41 CZ ARG A 5 -10.553 -1.124 -5.312 1.00 3.61 C ATOM 42 NH1 ARG A 5 -11.807 -0.738 -5.573 1.00 3.11 N ATOM 43 NH2 ARG A 5 -10.310 -2.269 -4.668 1.00 5.62 N ATOM 0 H ARG A 5 -7.211 1.403 -10.867 1.00 0.34 H new ATOM 0 HA ARG A 5 -6.085 2.241 -8.285 1.00 0.36 H new ATOM 0 HB2 ARG A 5 -8.544 2.503 -8.815 1.00 0.51 H new ATOM 0 HB3 ARG A 5 -8.648 0.774 -9.077 1.00 0.51 H new ATOM 0 HG2 ARG A 5 -7.478 0.669 -6.653 1.00 0.59 H new ATOM 0 HG3 ARG A 5 -8.158 2.276 -6.490 1.00 0.59 H new ATOM 0 HD2 ARG A 5 -10.301 1.491 -6.334 1.00 0.90 H new ATOM 0 HD3 ARG A 5 -10.075 0.334 -7.630 1.00 0.90 H new ATOM 0 HE ARG A 5 -8.606 -0.560 -5.322 1.00 2.57 H new ATOM 0 HH11 ARG A 5 -11.978 0.129 -6.083 1.00 3.11 H new ATOM 0 HH12 ARG A 5 -12.592 -1.310 -5.262 1.00 3.11 H new ATOM 0 HH21 ARG A 5 -9.349 -2.561 -4.492 1.00 5.62 H new ATOM 0 HH22 ARG A 5 -11.086 -2.851 -4.352 1.00 5.62 H new ATOM 57 N TYR A 6 -4.987 0.078 -7.844 1.00 0.35 N ATOM 58 CA TYR A 6 -4.380 -1.143 -7.333 1.00 0.34 C ATOM 59 C TYR A 6 -4.803 -1.436 -5.902 1.00 0.33 C ATOM 60 O TYR A 6 -4.967 -0.501 -5.124 1.00 0.48 O ATOM 61 CB TYR A 6 -2.878 -1.030 -7.521 1.00 0.37 C ATOM 62 CG TYR A 6 -2.530 -0.632 -8.935 1.00 0.40 C ATOM 63 CD1 TYR A 6 -3.088 -1.369 -9.997 1.00 1.92 C ATOM 64 CD2 TYR A 6 -1.923 0.607 -9.194 1.00 1.89 C ATOM 65 CE1 TYR A 6 -2.894 -0.959 -11.320 1.00 2.05 C ATOM 66 CE2 TYR A 6 -1.761 1.026 -10.523 1.00 1.82 C ATOM 67 CZ TYR A 6 -2.122 0.182 -11.583 1.00 0.65 C ATOM 68 OH TYR A 6 -1.819 0.529 -12.866 1.00 0.83 O ATOM 0 H TYR A 6 -4.490 0.920 -7.553 1.00 0.35 H new ATOM 0 HA TYR A 6 -4.734 -2.008 -7.893 1.00 0.34 H new ATOM 0 HB2 TYR A 6 -2.477 -0.294 -6.825 1.00 0.37 H new ATOM 0 HB3 TYR A 6 -2.407 -1.984 -7.283 1.00 0.37 H new ATOM 0 HD1 TYR A 6 -3.669 -2.255 -9.789 1.00 1.92 H new ATOM 0 HD2 TYR A 6 -1.585 1.230 -8.380 1.00 1.89 H new ATOM 0 HE1 TYR A 6 -3.335 -1.517 -12.133 1.00 2.05 H new ATOM 0 HE2 TYR A 6 -1.356 2.005 -10.731 1.00 1.82 H new ATOM 0 HH TYR A 6 -1.726 1.503 -12.928 1.00 0.83 H new ATOM 78 N SER A 7 -5.026 -2.720 -5.571 1.00 0.39 N ATOM 79 CA SER A 7 -5.432 -3.152 -4.236 1.00 0.37 C ATOM 80 C SER A 7 -4.441 -4.181 -3.680 1.00 0.31 C ATOM 81 O SER A 7 -3.814 -4.896 -4.457 1.00 0.30 O ATOM 82 CB SER A 7 -6.859 -3.717 -4.277 1.00 0.44 C ATOM 83 OG SER A 7 -7.717 -2.882 -5.044 1.00 2.08 O ATOM 0 H SER A 7 -4.927 -3.489 -6.234 1.00 0.39 H new ATOM 0 HA SER A 7 -5.426 -2.291 -3.567 1.00 0.37 H new ATOM 0 HB2 SER A 7 -6.845 -4.720 -4.704 1.00 0.44 H new ATOM 0 HB3 SER A 7 -7.247 -3.808 -3.262 1.00 0.44 H new ATOM 0 HG SER A 7 -8.204 -3.426 -5.698 1.00 2.08 H new ATOM 89 N TRP A 8 -4.287 -4.258 -2.351 1.00 0.28 N ATOM 90 CA TRP A 8 -3.519 -5.306 -1.679 1.00 0.32 C ATOM 91 C TRP A 8 -4.248 -5.735 -0.401 1.00 0.32 C ATOM 92 O TRP A 8 -5.035 -4.964 0.155 1.00 0.37 O ATOM 93 CB TRP A 8 -2.117 -4.841 -1.271 1.00 0.33 C ATOM 94 CG TRP A 8 -1.182 -4.205 -2.253 1.00 0.39 C ATOM 95 CD1 TRP A 8 0.010 -4.682 -2.645 1.00 0.62 C ATOM 96 CD2 TRP A 8 -1.286 -2.940 -2.943 1.00 0.43 C ATOM 97 NE1 TRP A 8 0.723 -3.638 -3.237 1.00 0.93 N ATOM 98 CE2 TRP A 8 0.024 -2.435 -3.167 1.00 0.90 C ATOM 99 CE3 TRP A 8 -2.121 -2.511 -3.984 1.00 0.71 C ATOM 100 CZ2 TRP A 8 0.095 -1.223 -3.905 1.00 1.10 C ATOM 101 CZ3 TRP A 8 -1.446 -2.306 -5.228 1.00 0.71 C ATOM 102 CH2 TRP A 8 -0.431 -1.353 -5.180 1.00 0.48 C ATOM 0 H TRP A 8 -4.699 -3.583 -1.707 1.00 0.28 H new ATOM 0 HA TRP A 8 -3.424 -6.127 -2.390 1.00 0.32 H new ATOM 0 HB2 TRP A 8 -2.245 -4.133 -0.452 1.00 0.33 H new ATOM 0 HB3 TRP A 8 -1.602 -5.711 -0.862 1.00 0.33 H new ATOM 0 HD1 TRP A 8 0.357 -5.697 -2.523 1.00 0.62 H new ATOM 0 HE1 TRP A 8 1.642 -3.743 -3.667 1.00 0.93 H new ATOM 0 HE3 TRP A 8 -3.181 -2.349 -3.858 1.00 0.71 H new ATOM 0 HZ2 TRP A 8 0.511 -0.305 -3.516 1.00 1.10 H new ATOM 0 HZ3 TRP A 8 -1.702 -2.845 -6.129 1.00 0.71 H new ATOM 0 HH2 TRP A 8 -0.095 -0.784 -6.034 1.00 0.48 H new ATOM 113 N LYS A 9 -3.925 -6.938 0.084 1.00 0.33 N ATOM 114 CA LYS A 9 -4.365 -7.501 1.354 1.00 0.32 C ATOM 115 C LYS A 9 -3.123 -7.543 2.228 1.00 0.41 C ATOM 116 O LYS A 9 -2.150 -8.173 1.818 1.00 0.66 O ATOM 117 CB LYS A 9 -4.873 -8.935 1.128 1.00 0.40 C ATOM 118 CG LYS A 9 -6.156 -8.942 0.292 1.00 1.50 C ATOM 119 CD LYS A 9 -6.165 -10.054 -0.759 1.00 1.18 C ATOM 120 CE LYS A 9 -6.532 -11.475 -0.342 1.00 1.25 C ATOM 121 NZ LYS A 9 -6.708 -12.293 -1.566 1.00 1.87 N ATOM 0 H LYS A 9 -3.317 -7.575 -0.430 1.00 0.33 H new ATOM 0 HA LYS A 9 -5.168 -6.917 1.805 1.00 0.32 H new ATOM 0 HB2 LYS A 9 -4.104 -9.521 0.624 1.00 0.40 H new ATOM 0 HB3 LYS A 9 -5.060 -9.413 2.089 1.00 0.40 H new ATOM 0 HG2 LYS A 9 -7.015 -9.063 0.952 1.00 1.50 H new ATOM 0 HG3 LYS A 9 -6.268 -7.978 -0.203 1.00 1.50 H new ATOM 0 HD2 LYS A 9 -6.857 -9.755 -1.546 1.00 1.18 H new ATOM 0 HD3 LYS A 9 -5.171 -10.090 -1.205 1.00 1.18 H new ATOM 0 HE2 LYS A 9 -5.750 -11.899 0.288 1.00 1.25 H new ATOM 0 HE3 LYS A 9 -7.449 -11.472 0.247 1.00 1.25 H new ATOM 0 HZ1 LYS A 9 -7.706 -12.570 -1.658 1.00 1.87 H new ATOM 0 HZ2 LYS A 9 -6.425 -11.738 -2.398 1.00 1.87 H new ATOM 0 HZ3 LYS A 9 -6.116 -13.146 -1.502 1.00 1.87 H new ATOM 135 N VAL A 10 -3.131 -6.860 3.374 1.00 0.37 N ATOM 136 CA VAL A 10 -2.011 -6.794 4.295 1.00 0.44 C ATOM 137 C VAL A 10 -2.347 -7.589 5.561 1.00 0.58 C ATOM 138 O VAL A 10 -3.519 -7.835 5.836 1.00 1.09 O ATOM 139 CB VAL A 10 -1.708 -5.316 4.606 1.00 0.49 C ATOM 140 CG1 VAL A 10 -0.253 -5.174 5.047 1.00 0.60 C ATOM 141 CG2 VAL A 10 -1.911 -4.401 3.391 1.00 0.44 C ATOM 0 H VAL A 10 -3.941 -6.326 3.689 1.00 0.37 H new ATOM 0 HA VAL A 10 -1.119 -7.238 3.853 1.00 0.44 H new ATOM 0 HB VAL A 10 -2.402 -5.015 5.391 1.00 0.49 H new ATOM 0 HG11 VAL A 10 -0.040 -4.128 5.267 1.00 0.60 H new ATOM 0 HG12 VAL A 10 -0.083 -5.774 5.941 1.00 0.60 H new ATOM 0 HG13 VAL A 10 0.404 -5.518 4.249 1.00 0.60 H new ATOM 0 HG21 VAL A 10 -1.683 -3.372 3.668 1.00 0.44 H new ATOM 0 HG22 VAL A 10 -1.248 -4.715 2.585 1.00 0.44 H new ATOM 0 HG23 VAL A 10 -2.946 -4.466 3.056 1.00 0.44 H new ATOM 151 N SER A 11 -1.322 -7.982 6.325 1.00 0.35 N ATOM 152 CA SER A 11 -1.463 -8.482 7.686 1.00 0.36 C ATOM 153 C SER A 11 -0.475 -7.709 8.570 1.00 0.36 C ATOM 154 O SER A 11 0.734 -7.843 8.387 1.00 0.61 O ATOM 155 CB SER A 11 -1.198 -9.998 7.726 1.00 0.59 C ATOM 156 OG SER A 11 -2.342 -10.690 8.193 1.00 0.88 O ATOM 0 H SER A 11 -0.354 -7.959 6.003 1.00 0.35 H new ATOM 0 HA SER A 11 -2.477 -8.329 8.055 1.00 0.36 H new ATOM 0 HB2 SER A 11 -0.932 -10.353 6.730 1.00 0.59 H new ATOM 0 HB3 SER A 11 -0.349 -10.208 8.376 1.00 0.59 H new ATOM 0 HG SER A 11 -2.158 -11.652 8.211 1.00 0.88 H new ATOM 162 N GLY A 12 -0.985 -6.901 9.501 1.00 0.41 N ATOM 163 CA GLY A 12 -0.242 -6.186 10.531 1.00 0.59 C ATOM 164 C GLY A 12 -0.725 -4.743 10.712 1.00 0.71 C ATOM 165 O GLY A 12 -0.526 -4.143 11.771 1.00 0.89 O ATOM 0 H GLY A 12 -1.987 -6.720 9.556 1.00 0.41 H new ATOM 0 HA2 GLY A 12 -0.337 -6.718 11.478 1.00 0.59 H new ATOM 0 HA3 GLY A 12 0.817 -6.181 10.273 1.00 0.59 H new ATOM 169 N MET A 13 -1.304 -4.137 9.672 1.00 0.73 N ATOM 170 CA MET A 13 -1.575 -2.713 9.662 1.00 0.80 C ATOM 171 C MET A 13 -2.860 -2.361 10.417 1.00 0.96 C ATOM 172 O MET A 13 -3.855 -2.014 9.789 1.00 1.34 O ATOM 173 CB MET A 13 -1.611 -2.213 8.216 1.00 0.85 C ATOM 174 CG MET A 13 -1.704 -0.681 8.150 1.00 1.57 C ATOM 175 SD MET A 13 -3.185 0.060 7.401 1.00 2.05 S ATOM 176 CE MET A 13 -3.228 -0.737 5.779 1.00 1.88 C ATOM 0 H MET A 13 -1.593 -4.623 8.823 1.00 0.73 H new ATOM 0 HA MET A 13 -0.769 -2.205 10.192 1.00 0.80 H new ATOM 0 HB2 MET A 13 -0.715 -2.547 7.693 1.00 0.85 H new ATOM 0 HB3 MET A 13 -2.464 -2.653 7.699 1.00 0.85 H new ATOM 0 HG2 MET A 13 -1.619 -0.298 9.167 1.00 1.57 H new ATOM 0 HG3 MET A 13 -0.836 -0.318 7.599 1.00 1.57 H new ATOM 0 HE1 MET A 13 -3.868 -0.163 5.109 1.00 1.88 H new ATOM 0 HE2 MET A 13 -2.219 -0.781 5.368 1.00 1.88 H new ATOM 0 HE3 MET A 13 -3.623 -1.748 5.881 1.00 1.88 H new ATOM 186 N ASP A 14 -2.813 -2.349 11.751 1.00 0.94 N ATOM 187 CA ASP A 14 -3.886 -1.760 12.552 1.00 1.07 C ATOM 188 C ASP A 14 -3.314 -1.043 13.778 1.00 0.95 C ATOM 189 O ASP A 14 -3.458 -1.488 14.913 1.00 1.32 O ATOM 190 CB ASP A 14 -4.963 -2.803 12.879 1.00 1.62 C ATOM 191 CG ASP A 14 -6.313 -2.123 13.068 1.00 2.48 C ATOM 192 OD1 ASP A 14 -6.933 -1.802 12.029 1.00 3.44 O ATOM 193 OD2 ASP A 14 -6.696 -1.902 14.235 1.00 3.05 O ATOM 0 H ASP A 14 -2.045 -2.740 12.297 1.00 0.94 H new ATOM 0 HA ASP A 14 -4.393 -0.992 11.969 1.00 1.07 H new ATOM 0 HB2 ASP A 14 -5.026 -3.536 12.075 1.00 1.62 H new ATOM 0 HB3 ASP A 14 -4.691 -3.346 13.784 1.00 1.62 H new ATOM 198 N CYS A 15 -2.618 0.075 13.542 1.00 0.61 N ATOM 199 CA CYS A 15 -2.141 0.958 14.607 1.00 0.60 C ATOM 200 C CYS A 15 -1.762 2.327 14.056 1.00 0.85 C ATOM 201 O CYS A 15 -1.306 2.434 12.913 1.00 2.29 O ATOM 202 CB CYS A 15 -0.902 0.388 15.291 1.00 0.79 C ATOM 203 SG CYS A 15 -0.819 1.069 16.963 1.00 1.19 S ATOM 0 H CYS A 15 -2.370 0.392 12.605 1.00 0.61 H new ATOM 0 HA CYS A 15 -2.960 1.045 15.321 1.00 0.60 H new ATOM 0 HB2 CYS A 15 -0.953 -0.700 15.326 1.00 0.79 H new ATOM 0 HB3 CYS A 15 -0.004 0.647 14.730 1.00 0.79 H new ATOM 0 HG CYS A 15 0.228 0.598 17.572 1.00 1.19 H new ATOM 209 N ALA A 16 -1.910 3.382 14.863 1.00 0.97 N ATOM 210 CA ALA A 16 -1.808 4.759 14.404 1.00 1.03 C ATOM 211 C ALA A 16 -0.364 5.232 14.201 1.00 1.37 C ATOM 212 O ALA A 16 0.094 6.187 14.834 1.00 2.92 O ATOM 213 CB ALA A 16 -2.598 5.678 15.342 1.00 1.15 C ATOM 0 H ALA A 16 -2.105 3.297 15.860 1.00 0.97 H new ATOM 0 HA ALA A 16 -2.253 4.807 13.410 1.00 1.03 H new ATOM 0 HB1 ALA A 16 -2.519 6.708 14.994 1.00 1.15 H new ATOM 0 HB2 ALA A 16 -3.646 5.377 15.349 1.00 1.15 H new ATOM 0 HB3 ALA A 16 -2.192 5.604 16.351 1.00 1.15 H new ATOM 219 N ALA A 17 0.322 4.593 13.255 1.00 0.61 N ATOM 220 CA ALA A 17 1.716 4.803 12.884 1.00 0.61 C ATOM 221 C ALA A 17 2.050 3.948 11.661 1.00 0.50 C ATOM 222 O ALA A 17 2.630 4.437 10.690 1.00 0.56 O ATOM 223 CB ALA A 17 2.641 4.438 14.051 1.00 0.85 C ATOM 0 H ALA A 17 -0.114 3.865 12.690 1.00 0.61 H new ATOM 0 HA ALA A 17 1.866 5.855 12.643 1.00 0.61 H new ATOM 0 HB1 ALA A 17 3.678 4.600 13.758 1.00 0.85 H new ATOM 0 HB2 ALA A 17 2.405 5.064 14.912 1.00 0.85 H new ATOM 0 HB3 ALA A 17 2.498 3.390 14.314 1.00 0.85 H new ATOM 229 N CYS A 18 1.662 2.669 11.697 1.00 0.45 N ATOM 230 CA CYS A 18 1.924 1.745 10.610 1.00 0.43 C ATOM 231 C CYS A 18 1.096 2.157 9.404 1.00 0.35 C ATOM 232 O CYS A 18 1.574 2.038 8.283 1.00 0.35 O ATOM 233 CB CYS A 18 1.706 0.286 11.020 1.00 0.59 C ATOM 234 SG CYS A 18 0.013 -0.011 11.555 1.00 2.68 S ATOM 0 H CYS A 18 1.160 2.255 12.482 1.00 0.45 H new ATOM 0 HA CYS A 18 2.978 1.799 10.338 1.00 0.43 H new ATOM 0 HB2 CYS A 18 1.942 -0.367 10.180 1.00 0.59 H new ATOM 0 HB3 CYS A 18 2.393 0.028 11.826 1.00 0.59 H new ATOM 0 HG CYS A 18 -0.460 1.063 12.114 1.00 2.68 H new ATOM 240 N ALA A 19 -0.092 2.736 9.620 1.00 0.36 N ATOM 241 CA ALA A 19 -0.849 3.302 8.515 1.00 0.39 C ATOM 242 C ALA A 19 -0.031 4.346 7.762 1.00 0.36 C ATOM 243 O ALA A 19 0.029 4.323 6.534 1.00 0.42 O ATOM 244 CB ALA A 19 -2.175 3.914 8.959 1.00 0.49 C ATOM 0 H ALA A 19 -0.537 2.820 10.534 1.00 0.36 H new ATOM 0 HA ALA A 19 -1.074 2.469 7.849 1.00 0.39 H new ATOM 0 HB1 ALA A 19 -2.696 4.321 8.092 1.00 0.49 H new ATOM 0 HB2 ALA A 19 -2.792 3.146 9.426 1.00 0.49 H new ATOM 0 HB3 ALA A 19 -1.985 4.713 9.676 1.00 0.49 H new ATOM 250 N ARG A 20 0.616 5.266 8.486 1.00 0.33 N ATOM 251 CA ARG A 20 1.426 6.247 7.827 1.00 0.34 C ATOM 252 C ARG A 20 2.566 5.535 7.125 1.00 0.29 C ATOM 253 O ARG A 20 2.761 5.714 5.935 1.00 0.32 O ATOM 254 CB ARG A 20 1.921 7.356 8.735 1.00 0.41 C ATOM 255 CG ARG A 20 0.777 8.023 9.517 1.00 0.57 C ATOM 256 CD ARG A 20 1.301 8.898 10.662 1.00 0.77 C ATOM 257 NE ARG A 20 0.199 9.239 11.584 1.00 1.25 N ATOM 258 CZ ARG A 20 0.050 8.783 12.842 1.00 2.38 C ATOM 259 NH1 ARG A 20 1.079 8.247 13.503 1.00 3.41 N ATOM 260 NH2 ARG A 20 -1.144 8.841 13.441 1.00 3.12 N ATOM 0 H ARG A 20 0.585 5.337 9.503 1.00 0.33 H new ATOM 0 HA ARG A 20 0.800 6.763 7.099 1.00 0.34 H new ATOM 0 HB2 ARG A 20 2.650 6.950 9.437 1.00 0.41 H new ATOM 0 HB3 ARG A 20 2.437 8.108 8.138 1.00 0.41 H new ATOM 0 HG2 ARG A 20 0.180 8.632 8.838 1.00 0.57 H new ATOM 0 HG3 ARG A 20 0.117 7.255 9.920 1.00 0.57 H new ATOM 0 HD2 ARG A 20 2.088 8.371 11.202 1.00 0.77 H new ATOM 0 HD3 ARG A 20 1.745 9.809 10.260 1.00 0.77 H new ATOM 0 HE ARG A 20 -0.515 9.879 11.236 1.00 1.25 H new ATOM 0 HH11 ARG A 20 1.993 8.179 13.055 1.00 3.41 H new ATOM 0 HH12 ARG A 20 0.951 7.906 14.456 1.00 3.41 H new ATOM 0 HH21 ARG A 20 -1.945 9.231 12.945 1.00 3.12 H new ATOM 0 HH22 ARG A 20 -1.254 8.495 14.394 1.00 3.12 H new ATOM 274 N LYS A 21 3.325 4.707 7.835 1.00 0.25 N ATOM 275 CA LYS A 21 4.445 4.021 7.211 1.00 0.27 C ATOM 276 C LYS A 21 4.027 3.286 5.928 1.00 0.30 C ATOM 277 O LYS A 21 4.753 3.342 4.940 1.00 0.34 O ATOM 278 CB LYS A 21 5.103 3.133 8.260 1.00 0.45 C ATOM 279 CG LYS A 21 6.014 4.007 9.138 1.00 1.01 C ATOM 280 CD LYS A 21 6.394 3.349 10.468 1.00 1.47 C ATOM 281 CE LYS A 21 7.134 2.020 10.262 1.00 2.53 C ATOM 282 NZ LYS A 21 7.628 1.461 11.538 1.00 4.15 N ATOM 0 H LYS A 21 3.188 4.499 8.824 1.00 0.25 H new ATOM 0 HA LYS A 21 5.189 4.739 6.867 1.00 0.27 H new ATOM 0 HB2 LYS A 21 4.345 2.643 8.871 1.00 0.45 H new ATOM 0 HB3 LYS A 21 5.683 2.345 7.779 1.00 0.45 H new ATOM 0 HG2 LYS A 21 6.923 4.241 8.584 1.00 1.01 H new ATOM 0 HG3 LYS A 21 5.512 4.953 9.340 1.00 1.01 H new ATOM 0 HD2 LYS A 21 7.023 4.029 11.042 1.00 1.47 H new ATOM 0 HD3 LYS A 21 5.493 3.175 11.057 1.00 1.47 H new ATOM 0 HE2 LYS A 21 6.466 1.302 9.786 1.00 2.53 H new ATOM 0 HE3 LYS A 21 7.973 2.173 9.584 1.00 2.53 H new ATOM 0 HZ1 LYS A 21 8.122 0.564 11.356 1.00 4.15 H new ATOM 0 HZ2 LYS A 21 8.285 2.134 11.981 1.00 4.15 H new ATOM 0 HZ3 LYS A 21 6.825 1.291 12.176 1.00 4.15 H new ATOM 296 N VAL A 22 2.834 2.686 5.900 1.00 0.35 N ATOM 297 CA VAL A 22 2.244 2.145 4.692 1.00 0.42 C ATOM 298 C VAL A 22 2.109 3.223 3.624 1.00 0.42 C ATOM 299 O VAL A 22 2.701 3.080 2.560 1.00 0.51 O ATOM 300 CB VAL A 22 0.883 1.502 5.009 1.00 0.51 C ATOM 301 CG1 VAL A 22 0.006 1.298 3.772 1.00 0.54 C ATOM 302 CG2 VAL A 22 1.082 0.120 5.642 1.00 0.59 C ATOM 0 H VAL A 22 2.252 2.565 6.729 1.00 0.35 H new ATOM 0 HA VAL A 22 2.904 1.372 4.297 1.00 0.42 H new ATOM 0 HB VAL A 22 0.386 2.196 5.686 1.00 0.51 H new ATOM 0 HG11 VAL A 22 -0.938 0.841 4.067 1.00 0.54 H new ATOM 0 HG12 VAL A 22 -0.189 2.262 3.301 1.00 0.54 H new ATOM 0 HG13 VAL A 22 0.520 0.646 3.065 1.00 0.54 H new ATOM 0 HG21 VAL A 22 0.111 -0.323 5.861 1.00 0.59 H new ATOM 0 HG22 VAL A 22 1.626 -0.522 4.950 1.00 0.59 H new ATOM 0 HG23 VAL A 22 1.651 0.222 6.566 1.00 0.59 H new ATOM 312 N GLU A 23 1.335 4.289 3.859 1.00 0.36 N ATOM 313 CA GLU A 23 1.054 5.229 2.779 1.00 0.42 C ATOM 314 C GLU A 23 2.370 5.838 2.316 1.00 0.39 C ATOM 315 O GLU A 23 2.613 5.957 1.127 1.00 0.43 O ATOM 316 CB GLU A 23 0.028 6.304 3.163 1.00 0.45 C ATOM 317 CG GLU A 23 0.469 7.099 4.386 1.00 0.46 C ATOM 318 CD GLU A 23 -0.434 8.281 4.671 1.00 0.60 C ATOM 319 OE1 GLU A 23 -0.135 9.342 4.076 1.00 1.77 O ATOM 320 OE2 GLU A 23 -1.354 8.122 5.497 1.00 1.71 O ATOM 0 H GLU A 23 0.907 4.514 4.757 1.00 0.36 H new ATOM 0 HA GLU A 23 0.589 4.683 1.958 1.00 0.42 H new ATOM 0 HB2 GLU A 23 -0.119 6.982 2.323 1.00 0.45 H new ATOM 0 HB3 GLU A 23 -0.934 5.833 3.364 1.00 0.45 H new ATOM 0 HG2 GLU A 23 0.485 6.442 5.255 1.00 0.46 H new ATOM 0 HG3 GLU A 23 1.489 7.454 4.235 1.00 0.46 H new ATOM 327 N ASN A 24 3.249 6.174 3.254 1.00 0.33 N ATOM 328 CA ASN A 24 4.551 6.749 2.987 1.00 0.35 C ATOM 329 C ASN A 24 5.423 5.772 2.190 1.00 0.38 C ATOM 330 O ASN A 24 6.166 6.205 1.305 1.00 0.43 O ATOM 331 CB ASN A 24 5.184 7.240 4.293 1.00 0.32 C ATOM 332 CG ASN A 24 4.496 8.509 4.820 1.00 0.37 C ATOM 333 OD1 ASN A 24 4.915 9.627 4.538 1.00 0.54 O ATOM 334 ND2 ASN A 24 3.418 8.332 5.577 1.00 0.35 N ATOM 0 H ASN A 24 3.064 6.048 4.249 1.00 0.33 H new ATOM 0 HA ASN A 24 4.449 7.628 2.351 1.00 0.35 H new ATOM 0 HB2 ASN A 24 5.121 6.454 5.045 1.00 0.32 H new ATOM 0 HB3 ASN A 24 6.243 7.442 4.130 1.00 0.32 H new ATOM 0 HD21 ASN A 24 2.913 9.140 5.942 1.00 0.35 H new ATOM 0 HD22 ASN A 24 3.096 7.389 5.793 1.00 0.35 H new ATOM 341 N ALA A 25 5.298 4.459 2.434 1.00 0.38 N ATOM 342 CA ALA A 25 5.892 3.429 1.579 1.00 0.40 C ATOM 343 C ALA A 25 5.427 3.546 0.120 1.00 0.36 C ATOM 344 O ALA A 25 6.146 3.120 -0.780 1.00 0.36 O ATOM 345 CB ALA A 25 5.644 2.027 2.151 1.00 0.46 C ATOM 0 H ALA A 25 4.782 4.085 3.230 1.00 0.38 H new ATOM 0 HA ALA A 25 6.969 3.595 1.571 1.00 0.40 H new ATOM 0 HB1 ALA A 25 6.096 1.282 1.496 1.00 0.46 H new ATOM 0 HB2 ALA A 25 6.089 1.955 3.144 1.00 0.46 H new ATOM 0 HB3 ALA A 25 4.571 1.847 2.220 1.00 0.46 H new ATOM 351 N VAL A 26 4.256 4.140 -0.123 1.00 0.35 N ATOM 352 CA VAL A 26 3.708 4.379 -1.453 1.00 0.35 C ATOM 353 C VAL A 26 4.051 5.798 -1.949 1.00 0.35 C ATOM 354 O VAL A 26 4.450 6.003 -3.091 1.00 0.37 O ATOM 355 CB VAL A 26 2.184 4.146 -1.419 1.00 0.36 C ATOM 356 CG1 VAL A 26 1.654 4.003 -2.837 1.00 1.37 C ATOM 357 CG2 VAL A 26 1.786 2.892 -0.636 1.00 1.67 C ATOM 0 H VAL A 26 3.648 4.476 0.624 1.00 0.35 H new ATOM 0 HA VAL A 26 4.158 3.681 -2.159 1.00 0.35 H new ATOM 0 HB VAL A 26 1.753 5.011 -0.916 1.00 0.36 H new ATOM 0 HG11 VAL A 26 0.577 3.839 -2.808 1.00 1.37 H new ATOM 0 HG12 VAL A 26 1.867 4.913 -3.399 1.00 1.37 H new ATOM 0 HG13 VAL A 26 2.138 3.155 -3.322 1.00 1.37 H new ATOM 0 HG21 VAL A 26 0.701 2.784 -0.649 1.00 1.67 H new ATOM 0 HG22 VAL A 26 2.244 2.016 -1.095 1.00 1.67 H new ATOM 0 HG23 VAL A 26 2.129 2.982 0.395 1.00 1.67 H new ATOM 367 N ARG A 27 3.899 6.810 -1.097 1.00 0.33 N ATOM 368 CA ARG A 27 4.052 8.215 -1.460 1.00 0.33 C ATOM 369 C ARG A 27 5.475 8.481 -1.950 1.00 0.32 C ATOM 370 O ARG A 27 5.693 9.346 -2.792 1.00 0.36 O ATOM 371 CB ARG A 27 3.724 9.109 -0.257 1.00 0.37 C ATOM 372 CG ARG A 27 2.233 9.062 0.128 1.00 0.40 C ATOM 373 CD ARG A 27 1.949 9.581 1.544 1.00 1.04 C ATOM 374 NE ARG A 27 2.577 10.886 1.786 1.00 0.88 N ATOM 375 CZ ARG A 27 2.577 11.528 2.966 1.00 1.68 C ATOM 376 NH1 ARG A 27 1.823 11.096 3.980 1.00 2.89 N ATOM 377 NH2 ARG A 27 3.336 12.619 3.119 1.00 2.01 N ATOM 0 H ARG A 27 3.661 6.672 -0.115 1.00 0.33 H new ATOM 0 HA ARG A 27 3.358 8.449 -2.267 1.00 0.33 H new ATOM 0 HB2 ARG A 27 4.326 8.798 0.597 1.00 0.37 H new ATOM 0 HB3 ARG A 27 4.004 10.137 -0.486 1.00 0.37 H new ATOM 0 HG2 ARG A 27 1.662 9.653 -0.588 1.00 0.40 H new ATOM 0 HG3 ARG A 27 1.878 8.035 0.048 1.00 0.40 H new ATOM 0 HD2 ARG A 27 0.872 9.664 1.691 1.00 1.04 H new ATOM 0 HD3 ARG A 27 2.316 8.861 2.275 1.00 1.04 H new ATOM 0 HE ARG A 27 3.047 11.338 1.002 1.00 0.88 H new ATOM 0 HH11 ARG A 27 1.237 10.269 3.864 1.00 2.89 H new ATOM 0 HH12 ARG A 27 1.833 11.593 4.871 1.00 2.89 H new ATOM 0 HH21 ARG A 27 3.907 12.956 2.344 1.00 2.01 H new ATOM 0 HH22 ARG A 27 3.343 13.114 4.011 1.00 2.01 H new ATOM 391 N GLN A 28 6.437 7.714 -1.432 1.00 0.31 N ATOM 392 CA GLN A 28 7.830 7.777 -1.838 1.00 0.34 C ATOM 393 C GLN A 28 8.068 7.409 -3.307 1.00 0.32 C ATOM 394 O GLN A 28 9.196 7.556 -3.771 1.00 0.39 O ATOM 395 CB GLN A 28 8.706 6.992 -0.860 1.00 0.38 C ATOM 396 CG GLN A 28 8.509 5.470 -0.913 1.00 0.37 C ATOM 397 CD GLN A 28 9.198 4.819 0.289 1.00 0.38 C ATOM 398 OE1 GLN A 28 10.123 4.014 0.160 1.00 0.52 O ATOM 399 NE2 GLN A 28 8.780 5.200 1.491 1.00 0.48 N ATOM 0 H GLN A 28 6.259 7.021 -0.705 1.00 0.31 H new ATOM 0 HA GLN A 28 8.134 8.823 -1.786 1.00 0.34 H new ATOM 0 HB2 GLN A 28 9.752 7.218 -1.066 1.00 0.38 H new ATOM 0 HB3 GLN A 28 8.499 7.338 0.153 1.00 0.38 H new ATOM 0 HG2 GLN A 28 7.446 5.231 -0.908 1.00 0.37 H new ATOM 0 HG3 GLN A 28 8.921 5.072 -1.840 1.00 0.37 H new ATOM 0 HE21 GLN A 28 8.013 5.867 1.577 1.00 0.48 H new ATOM 0 HE22 GLN A 28 9.226 4.825 2.328 1.00 0.48 H new ATOM 408 N LEU A 29 7.076 6.838 -4.007 1.00 0.26 N ATOM 409 CA LEU A 29 7.195 6.532 -5.421 1.00 0.25 C ATOM 410 C LEU A 29 7.158 7.838 -6.227 1.00 0.28 C ATOM 411 O LEU A 29 8.021 8.696 -6.066 1.00 0.45 O ATOM 412 CB LEU A 29 6.119 5.508 -5.809 1.00 0.27 C ATOM 413 CG LEU A 29 6.074 4.208 -4.972 1.00 0.31 C ATOM 414 CD1 LEU A 29 5.958 3.016 -5.898 1.00 0.39 C ATOM 415 CD2 LEU A 29 7.223 3.898 -4.001 1.00 0.45 C ATOM 0 H LEU A 29 6.176 6.580 -3.601 1.00 0.26 H new ATOM 0 HA LEU A 29 8.152 6.064 -5.654 1.00 0.25 H new ATOM 0 HB2 LEU A 29 5.145 5.993 -5.740 1.00 0.27 H new ATOM 0 HB3 LEU A 29 6.267 5.237 -6.854 1.00 0.27 H new ATOM 0 HG LEU A 29 5.212 4.391 -4.331 1.00 0.31 H new ATOM 0 HD11 LEU A 29 5.926 2.099 -5.309 1.00 0.39 H new ATOM 0 HD12 LEU A 29 5.045 3.101 -6.487 1.00 0.39 H new ATOM 0 HD13 LEU A 29 6.819 2.989 -6.565 1.00 0.39 H new ATOM 0 HD21 LEU A 29 7.029 2.951 -3.498 1.00 0.45 H new ATOM 0 HD22 LEU A 29 8.159 3.830 -4.555 1.00 0.45 H new ATOM 0 HD23 LEU A 29 7.297 4.694 -3.260 1.00 0.45 H new ATOM 427 N ALA A 30 6.177 7.995 -7.116 1.00 0.26 N ATOM 428 CA ALA A 30 6.077 9.155 -7.998 1.00 0.27 C ATOM 429 C ALA A 30 4.771 9.085 -8.778 1.00 0.28 C ATOM 430 O ALA A 30 4.023 10.053 -8.852 1.00 0.29 O ATOM 431 CB ALA A 30 7.258 9.193 -8.979 1.00 0.30 C ATOM 0 H ALA A 30 5.426 7.317 -7.244 1.00 0.26 H new ATOM 0 HA ALA A 30 6.099 10.060 -7.391 1.00 0.27 H new ATOM 0 HB1 ALA A 30 7.165 10.064 -9.627 1.00 0.30 H new ATOM 0 HB2 ALA A 30 8.192 9.254 -8.421 1.00 0.30 H new ATOM 0 HB3 ALA A 30 7.256 8.288 -9.586 1.00 0.30 H new ATOM 437 N GLY A 31 4.512 7.916 -9.368 1.00 0.30 N ATOM 438 CA GLY A 31 3.338 7.716 -10.217 1.00 0.34 C ATOM 439 C GLY A 31 2.041 7.620 -9.407 1.00 0.32 C ATOM 440 O GLY A 31 0.940 7.800 -9.934 1.00 0.46 O ATOM 0 H GLY A 31 5.103 7.091 -9.272 1.00 0.30 H new ATOM 0 HA2 GLY A 31 3.261 8.541 -10.925 1.00 0.34 H new ATOM 0 HA3 GLY A 31 3.467 6.805 -10.801 1.00 0.34 H new ATOM 444 N VAL A 32 2.171 7.302 -8.116 1.00 0.23 N ATOM 445 CA VAL A 32 1.060 7.278 -7.182 1.00 0.21 C ATOM 446 C VAL A 32 0.481 8.681 -7.061 1.00 0.29 C ATOM 447 O VAL A 32 1.240 9.636 -6.911 1.00 0.44 O ATOM 448 CB VAL A 32 1.578 6.776 -5.831 1.00 0.31 C ATOM 449 CG1 VAL A 32 0.473 6.889 -4.767 1.00 0.43 C ATOM 450 CG2 VAL A 32 2.094 5.335 -5.995 1.00 0.38 C ATOM 0 H VAL A 32 3.065 7.052 -7.693 1.00 0.23 H new ATOM 0 HA VAL A 32 0.270 6.612 -7.529 1.00 0.21 H new ATOM 0 HB VAL A 32 2.409 7.392 -5.489 1.00 0.31 H new ATOM 0 HG11 VAL A 32 0.851 6.530 -3.810 1.00 0.43 H new ATOM 0 HG12 VAL A 32 0.168 7.931 -4.668 1.00 0.43 H new ATOM 0 HG13 VAL A 32 -0.384 6.287 -5.068 1.00 0.43 H new ATOM 0 HG21 VAL A 32 2.465 4.970 -5.037 1.00 0.38 H new ATOM 0 HG22 VAL A 32 1.281 4.694 -6.338 1.00 0.38 H new ATOM 0 HG23 VAL A 32 2.902 5.319 -6.727 1.00 0.38 H new ATOM 460 N ASN A 33 -0.849 8.813 -7.111 1.00 0.31 N ATOM 461 CA ASN A 33 -1.479 10.121 -6.979 1.00 0.47 C ATOM 462 C ASN A 33 -2.781 10.065 -6.195 1.00 0.56 C ATOM 463 O ASN A 33 -3.590 10.978 -6.313 1.00 1.66 O ATOM 464 CB ASN A 33 -1.645 10.772 -8.353 1.00 1.32 C ATOM 465 CG ASN A 33 -2.709 10.114 -9.216 1.00 0.97 C ATOM 466 OD1 ASN A 33 -3.823 10.613 -9.340 1.00 2.34 O ATOM 467 ND2 ASN A 33 -2.334 9.014 -9.849 1.00 1.01 N ATOM 0 H ASN A 33 -1.499 8.038 -7.240 1.00 0.31 H new ATOM 0 HA ASN A 33 -0.816 10.754 -6.389 1.00 0.47 H new ATOM 0 HB2 ASN A 33 -1.898 11.824 -8.219 1.00 1.32 H new ATOM 0 HB3 ASN A 33 -0.691 10.738 -8.879 1.00 1.32 H new ATOM 0 HD21 ASN A 33 -2.984 8.539 -10.476 1.00 1.01 H new ATOM 0 HD22 ASN A 33 -1.395 8.641 -9.710 1.00 1.01 H new ATOM 474 N GLN A 34 -2.964 9.021 -5.384 1.00 0.38 N ATOM 475 CA GLN A 34 -4.066 8.821 -4.455 1.00 0.41 C ATOM 476 C GLN A 34 -3.790 7.488 -3.753 1.00 0.43 C ATOM 477 O GLN A 34 -3.240 6.567 -4.356 1.00 1.02 O ATOM 478 CB GLN A 34 -5.418 8.807 -5.190 1.00 0.79 C ATOM 479 CG GLN A 34 -6.167 10.150 -5.168 1.00 1.15 C ATOM 480 CD GLN A 34 -6.834 10.441 -6.512 1.00 0.85 C ATOM 481 OE1 GLN A 34 -8.057 10.500 -6.598 1.00 1.39 O ATOM 482 NE2 GLN A 34 -6.049 10.621 -7.571 1.00 0.96 N ATOM 0 H GLN A 34 -2.301 8.246 -5.361 1.00 0.38 H new ATOM 0 HA GLN A 34 -4.131 9.635 -3.733 1.00 0.41 H new ATOM 0 HB2 GLN A 34 -5.251 8.515 -6.227 1.00 0.79 H new ATOM 0 HB3 GLN A 34 -6.053 8.043 -4.742 1.00 0.79 H new ATOM 0 HG2 GLN A 34 -6.922 10.134 -4.382 1.00 1.15 H new ATOM 0 HG3 GLN A 34 -5.470 10.952 -4.925 1.00 1.15 H new ATOM 0 HE21 GLN A 34 -5.036 10.566 -7.470 1.00 0.96 H new ATOM 0 HE22 GLN A 34 -6.461 10.814 -8.484 1.00 0.96 H new ATOM 491 N VAL A 35 -4.113 7.402 -2.464 1.00 0.31 N ATOM 492 CA VAL A 35 -3.848 6.257 -1.613 1.00 0.31 C ATOM 493 C VAL A 35 -5.056 6.046 -0.697 1.00 0.30 C ATOM 494 O VAL A 35 -5.624 7.022 -0.211 1.00 0.54 O ATOM 495 CB VAL A 35 -2.557 6.501 -0.811 1.00 0.67 C ATOM 496 CG1 VAL A 35 -1.316 6.405 -1.706 1.00 1.62 C ATOM 497 CG2 VAL A 35 -2.525 7.844 -0.064 1.00 2.72 C ATOM 0 H VAL A 35 -4.584 8.160 -1.970 1.00 0.31 H new ATOM 0 HA VAL A 35 -3.700 5.355 -2.207 1.00 0.31 H new ATOM 0 HB VAL A 35 -2.547 5.710 -0.061 1.00 0.67 H new ATOM 0 HG11 VAL A 35 -0.422 6.582 -1.108 1.00 1.62 H new ATOM 0 HG12 VAL A 35 -1.264 5.411 -2.151 1.00 1.62 H new ATOM 0 HG13 VAL A 35 -1.379 7.153 -2.496 1.00 1.62 H new ATOM 0 HG21 VAL A 35 -1.583 7.938 0.476 1.00 2.72 H new ATOM 0 HG22 VAL A 35 -2.616 8.661 -0.780 1.00 2.72 H new ATOM 0 HG23 VAL A 35 -3.354 7.887 0.643 1.00 2.72 H new ATOM 507 N GLN A 36 -5.473 4.793 -0.485 1.00 0.31 N ATOM 508 CA GLN A 36 -6.595 4.430 0.363 1.00 0.48 C ATOM 509 C GLN A 36 -6.160 3.299 1.291 1.00 0.33 C ATOM 510 O GLN A 36 -6.361 2.119 0.996 1.00 0.41 O ATOM 511 CB GLN A 36 -7.754 4.007 -0.536 1.00 0.93 C ATOM 512 CG GLN A 36 -8.588 5.197 -1.001 1.00 1.04 C ATOM 513 CD GLN A 36 -9.007 4.976 -2.452 1.00 1.20 C ATOM 514 OE1 GLN A 36 -10.040 4.366 -2.718 1.00 1.83 O ATOM 515 NE2 GLN A 36 -8.149 5.402 -3.373 1.00 1.42 N ATOM 0 H GLN A 36 -5.021 3.986 -0.915 1.00 0.31 H new ATOM 0 HA GLN A 36 -6.920 5.268 0.979 1.00 0.48 H new ATOM 0 HB2 GLN A 36 -7.363 3.478 -1.405 1.00 0.93 H new ATOM 0 HB3 GLN A 36 -8.392 3.307 0.003 1.00 0.93 H new ATOM 0 HG2 GLN A 36 -9.468 5.309 -0.368 1.00 1.04 H new ATOM 0 HG3 GLN A 36 -8.012 6.118 -0.912 1.00 1.04 H new ATOM 0 HE21 GLN A 36 -7.307 5.904 -3.092 1.00 1.42 H new ATOM 0 HE22 GLN A 36 -8.333 5.227 -4.361 1.00 1.42 H new ATOM 524 N VAL A 37 -5.598 3.687 2.433 1.00 0.24 N ATOM 525 CA VAL A 37 -5.223 2.802 3.521 1.00 0.24 C ATOM 526 C VAL A 37 -6.380 2.793 4.529 1.00 0.27 C ATOM 527 O VAL A 37 -6.669 3.807 5.159 1.00 0.45 O ATOM 528 CB VAL A 37 -3.861 3.237 4.120 1.00 0.33 C ATOM 529 CG1 VAL A 37 -2.913 3.751 3.027 1.00 1.71 C ATOM 530 CG2 VAL A 37 -3.908 4.332 5.198 1.00 1.42 C ATOM 0 H VAL A 37 -5.385 4.665 2.629 1.00 0.24 H new ATOM 0 HA VAL A 37 -5.068 1.778 3.181 1.00 0.24 H new ATOM 0 HB VAL A 37 -3.512 2.320 4.595 1.00 0.33 H new ATOM 0 HG11 VAL A 37 -1.966 4.049 3.477 1.00 1.71 H new ATOM 0 HG12 VAL A 37 -2.735 2.960 2.298 1.00 1.71 H new ATOM 0 HG13 VAL A 37 -3.364 4.609 2.529 1.00 1.71 H new ATOM 0 HG21 VAL A 37 -2.896 4.550 5.539 1.00 1.42 H new ATOM 0 HG22 VAL A 37 -4.353 5.235 4.780 1.00 1.42 H new ATOM 0 HG23 VAL A 37 -4.509 3.988 6.040 1.00 1.42 H new ATOM 540 N LEU A 38 -7.105 1.675 4.626 1.00 0.26 N ATOM 541 CA LEU A 38 -8.236 1.519 5.519 1.00 0.29 C ATOM 542 C LEU A 38 -7.880 0.503 6.607 1.00 0.33 C ATOM 543 O LEU A 38 -7.675 -0.678 6.312 1.00 0.38 O ATOM 544 CB LEU A 38 -9.408 1.048 4.660 1.00 0.32 C ATOM 545 CG LEU A 38 -10.631 0.600 5.453 1.00 0.35 C ATOM 546 CD1 LEU A 38 -11.191 1.708 6.353 1.00 0.49 C ATOM 547 CD2 LEU A 38 -11.718 0.109 4.493 1.00 0.50 C ATOM 0 H LEU A 38 -6.911 0.841 4.071 1.00 0.26 H new ATOM 0 HA LEU A 38 -8.500 2.449 6.022 1.00 0.29 H new ATOM 0 HB2 LEU A 38 -9.701 1.857 3.991 1.00 0.32 H new ATOM 0 HB3 LEU A 38 -9.074 0.221 4.033 1.00 0.32 H new ATOM 0 HG LEU A 38 -10.312 -0.212 6.107 1.00 0.35 H new ATOM 0 HD11 LEU A 38 -12.060 1.333 6.893 1.00 0.49 H new ATOM 0 HD12 LEU A 38 -10.427 2.019 7.065 1.00 0.49 H new ATOM 0 HD13 LEU A 38 -11.484 2.561 5.741 1.00 0.49 H new ATOM 0 HD21 LEU A 38 -12.590 -0.210 5.064 1.00 0.50 H new ATOM 0 HD22 LEU A 38 -12.001 0.918 3.820 1.00 0.50 H new ATOM 0 HD23 LEU A 38 -11.338 -0.731 3.912 1.00 0.50 H new ATOM 559 N PHE A 39 -7.843 0.966 7.860 1.00 0.71 N ATOM 560 CA PHE A 39 -7.716 0.103 9.025 1.00 0.86 C ATOM 561 C PHE A 39 -8.897 -0.844 9.153 1.00 0.88 C ATOM 562 O PHE A 39 -9.917 -0.676 8.488 1.00 1.53 O ATOM 563 CB PHE A 39 -7.643 0.947 10.305 1.00 1.46 C ATOM 564 CG PHE A 39 -6.374 1.730 10.498 1.00 1.02 C ATOM 565 CD1 PHE A 39 -5.150 1.056 10.384 1.00 1.33 C ATOM 566 CD2 PHE A 39 -6.419 3.008 11.082 1.00 2.29 C ATOM 567 CE1 PHE A 39 -3.982 1.627 10.891 1.00 1.89 C ATOM 568 CE2 PHE A 39 -5.239 3.604 11.551 1.00 2.66 C ATOM 569 CZ PHE A 39 -4.022 2.913 11.456 1.00 2.18 C ATOM 0 H PHE A 39 -7.901 1.958 8.090 1.00 0.71 H new ATOM 0 HA PHE A 39 -6.803 -0.478 8.893 1.00 0.86 H new ATOM 0 HB2 PHE A 39 -8.482 1.643 10.308 1.00 1.46 H new ATOM 0 HB3 PHE A 39 -7.775 0.286 11.162 1.00 1.46 H new ATOM 0 HD1 PHE A 39 -5.111 0.091 9.902 1.00 1.33 H new ATOM 0 HD2 PHE A 39 -7.360 3.530 11.169 1.00 2.29 H new ATOM 0 HE1 PHE A 39 -3.050 1.082 10.849 1.00 1.89 H new ATOM 0 HE2 PHE A 39 -5.267 4.593 11.984 1.00 2.66 H new ATOM 0 HZ PHE A 39 -3.113 3.371 11.818 1.00 2.18 H new ATOM 579 N ALA A 40 -8.745 -1.834 10.030 1.00 0.85 N ATOM 580 CA ALA A 40 -9.707 -2.869 10.354 1.00 0.88 C ATOM 581 C ALA A 40 -9.934 -3.847 9.196 1.00 0.70 C ATOM 582 O ALA A 40 -9.866 -5.058 9.387 1.00 0.90 O ATOM 583 CB ALA A 40 -11.020 -2.279 10.884 1.00 1.19 C ATOM 0 H ALA A 40 -7.884 -1.935 10.567 1.00 0.85 H new ATOM 0 HA ALA A 40 -9.272 -3.457 11.163 1.00 0.88 H new ATOM 0 HB1 ALA A 40 -11.715 -3.087 11.115 1.00 1.19 H new ATOM 0 HB2 ALA A 40 -10.821 -1.702 11.787 1.00 1.19 H new ATOM 0 HB3 ALA A 40 -11.459 -1.629 10.127 1.00 1.19 H new ATOM 589 N THR A 41 -10.206 -3.345 7.985 1.00 0.52 N ATOM 590 CA THR A 41 -10.259 -4.162 6.787 1.00 0.42 C ATOM 591 C THR A 41 -8.843 -4.596 6.404 1.00 0.50 C ATOM 592 O THR A 41 -8.673 -5.621 5.749 1.00 0.97 O ATOM 593 CB THR A 41 -10.954 -3.386 5.663 1.00 0.52 C ATOM 594 OG1 THR A 41 -11.976 -2.572 6.199 1.00 0.75 O ATOM 595 CG2 THR A 41 -11.591 -4.346 4.652 1.00 0.98 C ATOM 0 H THR A 41 -10.395 -2.357 7.818 1.00 0.52 H new ATOM 0 HA THR A 41 -10.843 -5.064 6.969 1.00 0.42 H new ATOM 0 HB THR A 41 -10.201 -2.775 5.165 1.00 0.52 H new ATOM 0 HG1 THR A 41 -12.690 -2.464 5.536 1.00 0.75 H new ATOM 0 HG21 THR A 41 -12.078 -3.773 3.863 1.00 0.98 H new ATOM 0 HG22 THR A 41 -10.819 -4.980 4.216 1.00 0.98 H new ATOM 0 HG23 THR A 41 -12.329 -4.969 5.157 1.00 0.98 H new ATOM 603 N GLU A 42 -7.839 -3.801 6.802 1.00 0.50 N ATOM 604 CA GLU A 42 -6.428 -4.090 6.586 1.00 0.72 C ATOM 605 C GLU A 42 -6.179 -4.262 5.087 1.00 0.59 C ATOM 606 O GLU A 42 -5.418 -5.121 4.632 1.00 0.75 O ATOM 607 CB GLU A 42 -6.029 -5.295 7.454 1.00 1.05 C ATOM 608 CG GLU A 42 -4.633 -5.143 8.071 1.00 2.31 C ATOM 609 CD GLU A 42 -4.552 -5.838 9.424 1.00 3.09 C ATOM 610 OE1 GLU A 42 -5.400 -5.534 10.287 1.00 3.38 O ATOM 611 OE2 GLU A 42 -3.627 -6.659 9.580 1.00 4.23 O ATOM 0 H GLU A 42 -7.997 -2.921 7.293 1.00 0.50 H new ATOM 0 HA GLU A 42 -5.784 -3.269 6.901 1.00 0.72 H new ATOM 0 HB2 GLU A 42 -6.762 -5.422 8.251 1.00 1.05 H new ATOM 0 HB3 GLU A 42 -6.057 -6.200 6.847 1.00 1.05 H new ATOM 0 HG2 GLU A 42 -3.887 -5.564 7.397 1.00 2.31 H new ATOM 0 HG3 GLU A 42 -4.397 -4.085 8.187 1.00 2.31 H new ATOM 618 N LYS A 43 -6.872 -3.413 4.321 1.00 0.39 N ATOM 619 CA LYS A 43 -6.925 -3.502 2.875 1.00 0.44 C ATOM 620 C LYS A 43 -6.316 -2.224 2.346 1.00 0.37 C ATOM 621 O LYS A 43 -6.702 -1.128 2.766 1.00 0.57 O ATOM 622 CB LYS A 43 -8.348 -3.789 2.364 1.00 0.77 C ATOM 623 CG LYS A 43 -9.316 -2.598 2.397 1.00 1.37 C ATOM 624 CD LYS A 43 -9.305 -1.801 1.080 1.00 1.00 C ATOM 625 CE LYS A 43 -10.070 -0.488 1.277 1.00 0.52 C ATOM 626 NZ LYS A 43 -9.988 0.403 0.102 1.00 1.26 N ATOM 0 H LYS A 43 -7.415 -2.638 4.702 1.00 0.39 H new ATOM 0 HA LYS A 43 -6.353 -4.352 2.503 1.00 0.44 H new ATOM 0 HB2 LYS A 43 -8.280 -4.151 1.338 1.00 0.77 H new ATOM 0 HB3 LYS A 43 -8.773 -4.597 2.960 1.00 0.77 H new ATOM 0 HG2 LYS A 43 -10.326 -2.958 2.593 1.00 1.37 H new ATOM 0 HG3 LYS A 43 -9.048 -1.937 3.221 1.00 1.37 H new ATOM 0 HD2 LYS A 43 -8.279 -1.595 0.774 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -9.764 -2.387 0.283 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -11.116 -0.710 1.487 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -9.673 0.031 2.150 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -10.522 1.275 0.290 1.00 1.26 H new ATOM 0 HZ2 LYS A 43 -8.993 0.640 -0.085 1.00 1.26 H new ATOM 0 HZ3 LYS A 43 -10.391 -0.078 -0.727 1.00 1.26 H new ATOM 640 N LEU A 44 -5.349 -2.369 1.446 1.00 0.27 N ATOM 641 CA LEU A 44 -4.635 -1.286 0.864 1.00 0.30 C ATOM 642 C LEU A 44 -5.221 -1.021 -0.495 1.00 0.27 C ATOM 643 O LEU A 44 -5.493 -1.975 -1.223 1.00 0.36 O ATOM 644 CB LEU A 44 -3.166 -1.724 0.708 1.00 0.39 C ATOM 645 CG LEU A 44 -2.144 -0.802 1.361 1.00 0.55 C ATOM 646 CD1 LEU A 44 -1.026 -0.428 0.389 1.00 0.48 C ATOM 647 CD2 LEU A 44 -2.776 0.496 1.814 1.00 1.11 C ATOM 0 H LEU A 44 -5.046 -3.281 1.104 1.00 0.27 H new ATOM 0 HA LEU A 44 -4.698 -0.388 1.479 1.00 0.30 H new ATOM 0 HB2 LEU A 44 -3.054 -2.722 1.131 1.00 0.39 H new ATOM 0 HB3 LEU A 44 -2.937 -1.800 -0.355 1.00 0.39 H new ATOM 0 HG LEU A 44 -1.747 -1.355 2.212 1.00 0.55 H new ATOM 0 HD11 LEU A 44 -0.315 0.230 0.888 1.00 0.48 H new ATOM 0 HD12 LEU A 44 -0.514 -1.332 0.059 1.00 0.48 H new ATOM 0 HD13 LEU A 44 -1.451 0.084 -0.474 1.00 0.48 H new ATOM 0 HD21 LEU A 44 -2.017 1.129 2.275 1.00 1.11 H new ATOM 0 HD22 LEU A 44 -3.205 1.011 0.955 1.00 1.11 H new ATOM 0 HD23 LEU A 44 -3.562 0.284 2.539 1.00 1.11 H new ATOM 659 N VAL A 45 -5.370 0.256 -0.841 1.00 0.24 N ATOM 660 CA VAL A 45 -5.522 0.663 -2.216 1.00 0.27 C ATOM 661 C VAL A 45 -4.557 1.790 -2.540 1.00 0.31 C ATOM 662 O VAL A 45 -4.224 2.595 -1.672 1.00 0.56 O ATOM 663 CB VAL A 45 -6.988 1.006 -2.507 1.00 0.34 C ATOM 664 CG1 VAL A 45 -7.201 1.887 -3.746 1.00 0.68 C ATOM 665 CG2 VAL A 45 -7.699 -0.314 -2.721 1.00 0.58 C ATOM 0 H VAL A 45 -5.387 1.026 -0.172 1.00 0.24 H new ATOM 0 HA VAL A 45 -5.262 -0.162 -2.880 1.00 0.27 H new ATOM 0 HB VAL A 45 -7.373 1.584 -1.667 1.00 0.34 H new ATOM 0 HG11 VAL A 45 -8.266 2.080 -3.877 1.00 0.68 H new ATOM 0 HG12 VAL A 45 -6.674 2.832 -3.615 1.00 0.68 H new ATOM 0 HG13 VAL A 45 -6.814 1.375 -4.627 1.00 0.68 H new ATOM 0 HG21 VAL A 45 -8.752 -0.130 -2.933 1.00 0.58 H new ATOM 0 HG22 VAL A 45 -7.246 -0.839 -3.562 1.00 0.58 H new ATOM 0 HG23 VAL A 45 -7.611 -0.924 -1.822 1.00 0.58 H new ATOM 675 N VAL A 46 -4.103 1.817 -3.791 1.00 0.24 N ATOM 676 CA VAL A 46 -3.204 2.799 -4.344 1.00 0.22 C ATOM 677 C VAL A 46 -3.720 3.126 -5.738 1.00 0.21 C ATOM 678 O VAL A 46 -3.815 2.234 -6.580 1.00 0.30 O ATOM 679 CB VAL A 46 -1.795 2.202 -4.379 1.00 0.28 C ATOM 680 CG1 VAL A 46 -0.851 3.102 -5.176 1.00 0.37 C ATOM 681 CG2 VAL A 46 -1.287 2.021 -2.944 1.00 0.29 C ATOM 0 H VAL A 46 -4.374 1.111 -4.475 1.00 0.24 H new ATOM 0 HA VAL A 46 -3.159 3.713 -3.752 1.00 0.22 H new ATOM 0 HB VAL A 46 -1.827 1.231 -4.873 1.00 0.28 H new ATOM 0 HG11 VAL A 46 0.146 2.662 -5.190 1.00 0.37 H new ATOM 0 HG12 VAL A 46 -1.218 3.201 -6.197 1.00 0.37 H new ATOM 0 HG13 VAL A 46 -0.806 4.086 -4.710 1.00 0.37 H new ATOM 0 HG21 VAL A 46 -0.284 1.596 -2.964 1.00 0.29 H new ATOM 0 HG22 VAL A 46 -1.261 2.988 -2.442 1.00 0.29 H new ATOM 0 HG23 VAL A 46 -1.955 1.350 -2.404 1.00 0.29 H new ATOM 691 N ASP A 47 -4.046 4.394 -5.971 1.00 0.21 N ATOM 692 CA ASP A 47 -4.472 4.897 -7.261 1.00 0.21 C ATOM 693 C ASP A 47 -3.253 5.579 -7.884 1.00 0.21 C ATOM 694 O ASP A 47 -2.724 6.560 -7.346 1.00 0.29 O ATOM 695 CB ASP A 47 -5.681 5.819 -7.074 1.00 0.32 C ATOM 696 CG ASP A 47 -6.989 5.040 -7.016 1.00 1.07 C ATOM 697 OD1 ASP A 47 -7.424 4.592 -8.096 1.00 2.10 O ATOM 698 OD2 ASP A 47 -7.535 4.893 -5.898 1.00 2.26 O ATOM 0 H ASP A 47 -4.019 5.112 -5.247 1.00 0.21 H new ATOM 0 HA ASP A 47 -4.810 4.113 -7.938 1.00 0.21 H new ATOM 0 HB2 ASP A 47 -5.560 6.394 -6.156 1.00 0.32 H new ATOM 0 HB3 ASP A 47 -5.721 6.535 -7.895 1.00 0.32 H new ATOM 703 N ALA A 48 -2.751 4.996 -8.976 1.00 0.23 N ATOM 704 CA ALA A 48 -1.517 5.425 -9.612 1.00 0.25 C ATOM 705 C ALA A 48 -1.680 5.366 -11.125 1.00 0.30 C ATOM 706 O ALA A 48 -2.271 4.423 -11.659 1.00 0.49 O ATOM 707 CB ALA A 48 -0.350 4.548 -9.142 1.00 0.30 C ATOM 0 H ALA A 48 -3.199 4.207 -9.442 1.00 0.23 H new ATOM 0 HA ALA A 48 -1.295 6.454 -9.329 1.00 0.25 H new ATOM 0 HB1 ALA A 48 0.570 4.878 -9.624 1.00 0.30 H new ATOM 0 HB2 ALA A 48 -0.243 4.633 -8.061 1.00 0.30 H new ATOM 0 HB3 ALA A 48 -0.546 3.509 -9.406 1.00 0.30 H new ATOM 713 N ASP A 49 -1.139 6.362 -11.827 1.00 0.29 N ATOM 714 CA ASP A 49 -1.219 6.410 -13.283 1.00 0.38 C ATOM 715 C ASP A 49 -0.060 5.606 -13.883 1.00 0.43 C ATOM 716 O ASP A 49 0.730 6.133 -14.661 1.00 0.57 O ATOM 717 CB ASP A 49 -1.258 7.873 -13.760 1.00 0.52 C ATOM 718 CG ASP A 49 -2.614 8.529 -13.525 1.00 0.68 C ATOM 719 OD1 ASP A 49 -3.040 8.572 -12.351 1.00 1.90 O ATOM 720 OD2 ASP A 49 -3.227 8.946 -14.531 1.00 1.74 O ATOM 0 H ASP A 49 -0.640 7.147 -11.408 1.00 0.29 H new ATOM 0 HA ASP A 49 -2.143 5.948 -13.632 1.00 0.38 H new ATOM 0 HB2 ASP A 49 -0.488 8.442 -13.239 1.00 0.52 H new ATOM 0 HB3 ASP A 49 -1.019 7.912 -14.823 1.00 0.52 H new ATOM 725 N ASN A 50 0.019 4.317 -13.528 1.00 0.42 N ATOM 726 CA ASN A 50 1.000 3.327 -13.986 1.00 0.59 C ATOM 727 C ASN A 50 0.982 2.132 -13.035 1.00 0.70 C ATOM 728 O ASN A 50 0.724 2.322 -11.847 1.00 1.77 O ATOM 729 CB ASN A 50 2.442 3.873 -14.101 1.00 0.67 C ATOM 730 CG ASN A 50 3.006 4.626 -12.888 1.00 0.57 C ATOM 731 OD1 ASN A 50 3.933 5.415 -13.036 1.00 1.39 O ATOM 732 ND2 ASN A 50 2.511 4.402 -11.673 1.00 0.59 N ATOM 0 H ASN A 50 -0.646 3.912 -12.869 1.00 0.42 H new ATOM 0 HA ASN A 50 0.704 3.039 -14.995 1.00 0.59 H new ATOM 0 HB2 ASN A 50 3.104 3.035 -14.316 1.00 0.67 H new ATOM 0 HB3 ASN A 50 2.483 4.540 -14.962 1.00 0.67 H new ATOM 0 HD21 ASN A 50 2.903 4.887 -10.865 1.00 0.59 H new ATOM 0 HD22 ASN A 50 1.740 3.746 -11.549 1.00 0.59 H new ATOM 739 N ASP A 51 1.305 0.924 -13.511 1.00 0.88 N ATOM 740 CA ASP A 51 1.515 -0.188 -12.595 1.00 0.72 C ATOM 741 C ASP A 51 2.814 0.049 -11.834 1.00 0.50 C ATOM 742 O ASP A 51 3.861 0.245 -12.451 1.00 0.60 O ATOM 743 CB ASP A 51 1.560 -1.538 -13.311 1.00 0.96 C ATOM 744 CG ASP A 51 1.485 -2.659 -12.282 1.00 2.21 C ATOM 745 OD1 ASP A 51 2.249 -2.632 -11.292 1.00 3.30 O ATOM 746 OD2 ASP A 51 0.587 -3.504 -12.456 1.00 2.98 O ATOM 0 H ASP A 51 1.423 0.700 -14.499 1.00 0.88 H new ATOM 0 HA ASP A 51 0.669 -0.230 -11.909 1.00 0.72 H new ATOM 0 HB2 ASP A 51 0.730 -1.618 -14.013 1.00 0.96 H new ATOM 0 HB3 ASP A 51 2.478 -1.624 -13.892 1.00 0.96 H new ATOM 751 N ILE A 52 2.739 0.032 -10.504 1.00 0.35 N ATOM 752 CA ILE A 52 3.903 0.027 -9.634 1.00 0.32 C ATOM 753 C ILE A 52 3.634 -0.926 -8.466 1.00 0.27 C ATOM 754 O ILE A 52 4.196 -0.766 -7.385 1.00 0.29 O ATOM 755 CB ILE A 52 4.265 1.471 -9.207 1.00 0.38 C ATOM 756 CG1 ILE A 52 3.059 2.369 -8.886 1.00 0.37 C ATOM 757 CG2 ILE A 52 5.066 2.168 -10.316 1.00 0.53 C ATOM 758 CD1 ILE A 52 2.324 2.031 -7.591 1.00 0.43 C ATOM 0 H ILE A 52 1.853 0.021 -9.998 1.00 0.35 H new ATOM 0 HA ILE A 52 4.785 -0.345 -10.156 1.00 0.32 H new ATOM 0 HB ILE A 52 4.842 1.348 -8.290 1.00 0.38 H new ATOM 0 HG12 ILE A 52 3.400 3.403 -8.832 1.00 0.37 H new ATOM 0 HG13 ILE A 52 2.351 2.309 -9.713 1.00 0.37 H new ATOM 0 HG21 ILE A 52 5.314 3.182 -10.003 1.00 0.53 H new ATOM 0 HG22 ILE A 52 5.984 1.612 -10.506 1.00 0.53 H new ATOM 0 HG23 ILE A 52 4.469 2.205 -11.227 1.00 0.53 H new ATOM 0 HD11 ILE A 52 1.491 2.720 -7.455 1.00 0.43 H new ATOM 0 HD12 ILE A 52 1.945 1.010 -7.643 1.00 0.43 H new ATOM 0 HD13 ILE A 52 3.010 2.121 -6.749 1.00 0.43 H new ATOM 770 N ARG A 53 2.786 -1.941 -8.661 1.00 0.27 N ATOM 771 CA ARG A 53 2.307 -2.757 -7.546 1.00 0.30 C ATOM 772 C ARG A 53 3.447 -3.505 -6.885 1.00 0.27 C ATOM 773 O ARG A 53 3.549 -3.523 -5.661 1.00 0.30 O ATOM 774 CB ARG A 53 1.261 -3.759 -8.001 1.00 0.35 C ATOM 775 CG ARG A 53 0.117 -3.028 -8.687 1.00 0.41 C ATOM 776 CD ARG A 53 -1.119 -3.920 -8.754 1.00 0.55 C ATOM 777 NE ARG A 53 -0.800 -5.319 -9.032 1.00 0.66 N ATOM 778 CZ ARG A 53 -0.797 -5.923 -10.226 1.00 1.46 C ATOM 779 NH1 ARG A 53 -0.886 -5.227 -11.359 1.00 2.49 N ATOM 780 NH2 ARG A 53 -0.698 -7.249 -10.284 1.00 1.87 N ATOM 0 H ARG A 53 2.421 -2.214 -9.573 1.00 0.27 H new ATOM 0 HA ARG A 53 1.858 -2.072 -6.827 1.00 0.30 H new ATOM 0 HB2 ARG A 53 1.707 -4.480 -8.686 1.00 0.35 H new ATOM 0 HB3 ARG A 53 0.886 -4.321 -7.146 1.00 0.35 H new ATOM 0 HG2 ARG A 53 -0.116 -2.113 -8.143 1.00 0.41 H new ATOM 0 HG3 ARG A 53 0.416 -2.734 -9.693 1.00 0.41 H new ATOM 0 HD2 ARG A 53 -1.657 -3.857 -7.808 1.00 0.55 H new ATOM 0 HD3 ARG A 53 -1.789 -3.545 -9.528 1.00 0.55 H new ATOM 0 HE ARG A 53 -0.553 -5.897 -8.229 1.00 0.66 H new ATOM 0 HH11 ARG A 53 -0.959 -4.210 -11.328 1.00 2.49 H new ATOM 0 HH12 ARG A 53 -0.882 -5.711 -12.257 1.00 2.49 H new ATOM 0 HH21 ARG A 53 -0.626 -7.793 -9.424 1.00 1.87 H new ATOM 0 HH22 ARG A 53 -0.695 -7.721 -11.188 1.00 1.87 H new ATOM 794 N ALA A 54 4.325 -4.078 -7.709 1.00 0.25 N ATOM 795 CA ALA A 54 5.534 -4.730 -7.242 1.00 0.26 C ATOM 796 C ALA A 54 6.384 -3.735 -6.458 1.00 0.25 C ATOM 797 O ALA A 54 7.082 -4.109 -5.516 1.00 0.25 O ATOM 798 CB ALA A 54 6.319 -5.265 -8.439 1.00 0.30 C ATOM 0 H ALA A 54 4.211 -4.099 -8.722 1.00 0.25 H new ATOM 0 HA ALA A 54 5.271 -5.561 -6.588 1.00 0.26 H new ATOM 0 HB1 ALA A 54 7.227 -5.755 -8.089 1.00 0.30 H new ATOM 0 HB2 ALA A 54 5.707 -5.983 -8.984 1.00 0.30 H new ATOM 0 HB3 ALA A 54 6.584 -4.439 -9.099 1.00 0.30 H new ATOM 804 N GLN A 55 6.330 -2.455 -6.846 1.00 0.24 N ATOM 805 CA GLN A 55 7.141 -1.446 -6.209 1.00 0.25 C ATOM 806 C GLN A 55 6.571 -1.158 -4.828 1.00 0.24 C ATOM 807 O GLN A 55 7.310 -1.106 -3.842 1.00 0.26 O ATOM 808 CB GLN A 55 7.230 -0.199 -7.102 1.00 0.28 C ATOM 809 CG GLN A 55 8.628 0.434 -7.065 1.00 0.39 C ATOM 810 CD GLN A 55 9.429 0.091 -8.317 1.00 1.37 C ATOM 811 OE1 GLN A 55 10.044 -0.965 -8.399 1.00 2.95 O ATOM 812 NE2 GLN A 55 9.420 0.980 -9.308 1.00 1.02 N ATOM 0 H GLN A 55 5.732 -2.108 -7.596 1.00 0.24 H new ATOM 0 HA GLN A 55 8.164 -1.797 -6.075 1.00 0.25 H new ATOM 0 HB2 GLN A 55 6.981 -0.469 -8.128 1.00 0.28 H new ATOM 0 HB3 GLN A 55 6.491 0.534 -6.777 1.00 0.28 H new ATOM 0 HG2 GLN A 55 8.536 1.516 -6.975 1.00 0.39 H new ATOM 0 HG3 GLN A 55 9.163 0.085 -6.182 1.00 0.39 H new ATOM 0 HE21 GLN A 55 8.897 1.850 -9.208 1.00 1.02 H new ATOM 0 HE22 GLN A 55 9.936 0.791 -10.168 1.00 1.02 H new ATOM 821 N VAL A 56 5.248 -1.009 -4.750 1.00 0.22 N ATOM 822 CA VAL A 56 4.616 -0.735 -3.482 1.00 0.19 C ATOM 823 C VAL A 56 4.804 -1.947 -2.567 1.00 0.19 C ATOM 824 O VAL A 56 5.200 -1.794 -1.415 1.00 0.20 O ATOM 825 CB VAL A 56 3.142 -0.456 -3.714 1.00 0.22 C ATOM 826 CG1 VAL A 56 2.466 -0.255 -2.356 1.00 0.39 C ATOM 827 CG2 VAL A 56 2.968 0.793 -4.568 1.00 0.51 C ATOM 0 H VAL A 56 4.611 -1.074 -5.544 1.00 0.22 H new ATOM 0 HA VAL A 56 5.065 0.138 -3.008 1.00 0.19 H new ATOM 0 HB VAL A 56 2.688 -1.296 -4.239 1.00 0.22 H new ATOM 0 HG11 VAL A 56 1.405 -0.053 -2.504 1.00 0.39 H new ATOM 0 HG12 VAL A 56 2.583 -1.156 -1.754 1.00 0.39 H new ATOM 0 HG13 VAL A 56 2.927 0.588 -1.841 1.00 0.39 H new ATOM 0 HG21 VAL A 56 1.906 0.981 -4.726 1.00 0.51 H new ATOM 0 HG22 VAL A 56 3.416 1.647 -4.059 1.00 0.51 H new ATOM 0 HG23 VAL A 56 3.458 0.647 -5.531 1.00 0.51 H new ATOM 837 N GLU A 57 4.538 -3.155 -3.077 1.00 0.20 N ATOM 838 CA GLU A 57 4.882 -4.378 -2.367 1.00 0.21 C ATOM 839 C GLU A 57 6.301 -4.329 -1.833 1.00 0.22 C ATOM 840 O GLU A 57 6.458 -4.417 -0.627 1.00 0.26 O ATOM 841 CB GLU A 57 4.661 -5.613 -3.230 1.00 0.31 C ATOM 842 CG GLU A 57 5.219 -6.883 -2.572 1.00 0.40 C ATOM 843 CD GLU A 57 4.751 -8.167 -3.242 1.00 1.19 C ATOM 844 OE1 GLU A 57 4.148 -8.068 -4.331 1.00 2.29 O ATOM 845 OE2 GLU A 57 5.009 -9.227 -2.630 1.00 2.38 O ATOM 0 H GLU A 57 4.086 -3.305 -3.979 1.00 0.20 H new ATOM 0 HA GLU A 57 4.209 -4.453 -1.513 1.00 0.21 H new ATOM 0 HB2 GLU A 57 3.594 -5.740 -3.415 1.00 0.31 H new ATOM 0 HB3 GLU A 57 5.138 -5.468 -4.199 1.00 0.31 H new ATOM 0 HG2 GLU A 57 6.308 -6.846 -2.595 1.00 0.40 H new ATOM 0 HG3 GLU A 57 4.922 -6.900 -1.523 1.00 0.40 H new ATOM 852 N SER A 58 7.322 -4.170 -2.680 1.00 0.21 N ATOM 853 CA SER A 58 8.706 -4.112 -2.214 1.00 0.25 C ATOM 854 C SER A 58 8.833 -3.129 -1.042 1.00 0.27 C ATOM 855 O SER A 58 9.485 -3.414 -0.035 1.00 0.38 O ATOM 856 CB SER A 58 9.632 -3.730 -3.376 1.00 0.29 C ATOM 857 OG SER A 58 10.992 -3.899 -3.017 1.00 0.55 O ATOM 0 H SER A 58 7.214 -4.079 -3.690 1.00 0.21 H new ATOM 0 HA SER A 58 9.008 -5.095 -1.852 1.00 0.25 H new ATOM 0 HB2 SER A 58 9.403 -4.345 -4.246 1.00 0.29 H new ATOM 0 HB3 SER A 58 9.454 -2.694 -3.662 1.00 0.29 H new ATOM 0 HG SER A 58 11.563 -3.651 -3.774 1.00 0.55 H new ATOM 863 N ALA A 59 8.191 -1.967 -1.171 1.00 0.25 N ATOM 864 CA ALA A 59 8.164 -0.952 -0.137 1.00 0.29 C ATOM 865 C ALA A 59 7.555 -1.467 1.175 1.00 0.24 C ATOM 866 O ALA A 59 8.112 -1.264 2.251 1.00 0.32 O ATOM 867 CB ALA A 59 7.424 0.282 -0.638 1.00 0.35 C ATOM 0 H ALA A 59 7.671 -1.709 -2.010 1.00 0.25 H new ATOM 0 HA ALA A 59 9.196 -0.682 0.087 1.00 0.29 H new ATOM 0 HB1 ALA A 59 7.408 1.040 0.145 1.00 0.35 H new ATOM 0 HB2 ALA A 59 7.932 0.679 -1.517 1.00 0.35 H new ATOM 0 HB3 ALA A 59 6.402 0.011 -0.901 1.00 0.35 H new ATOM 873 N LEU A 60 6.394 -2.113 1.099 1.00 0.21 N ATOM 874 CA LEU A 60 5.640 -2.576 2.253 1.00 0.22 C ATOM 875 C LEU A 60 6.348 -3.756 2.908 1.00 0.22 C ATOM 876 O LEU A 60 6.449 -3.842 4.133 1.00 0.25 O ATOM 877 CB LEU A 60 4.218 -2.909 1.788 1.00 0.21 C ATOM 878 CG LEU A 60 3.469 -1.611 1.483 1.00 0.41 C ATOM 879 CD1 LEU A 60 2.215 -1.837 0.645 1.00 0.95 C ATOM 880 CD2 LEU A 60 3.040 -0.916 2.768 1.00 1.01 C ATOM 0 H LEU A 60 5.944 -2.332 0.210 1.00 0.21 H new ATOM 0 HA LEU A 60 5.577 -1.803 3.019 1.00 0.22 H new ATOM 0 HB2 LEU A 60 4.252 -3.540 0.900 1.00 0.21 H new ATOM 0 HB3 LEU A 60 3.693 -3.472 2.560 1.00 0.21 H new ATOM 0 HG LEU A 60 4.170 -0.995 0.920 1.00 0.41 H new ATOM 0 HD11 LEU A 60 1.724 -0.882 0.460 1.00 0.95 H new ATOM 0 HD12 LEU A 60 2.490 -2.294 -0.305 1.00 0.95 H new ATOM 0 HD13 LEU A 60 1.533 -2.497 1.181 1.00 0.95 H new ATOM 0 HD21 LEU A 60 2.509 0.004 2.524 1.00 1.01 H new ATOM 0 HD22 LEU A 60 2.382 -1.574 3.336 1.00 1.01 H new ATOM 0 HD23 LEU A 60 3.921 -0.680 3.365 1.00 1.01 H new ATOM 892 N GLN A 61 6.910 -4.620 2.070 1.00 0.27 N ATOM 893 CA GLN A 61 7.855 -5.632 2.504 1.00 0.48 C ATOM 894 C GLN A 61 8.985 -4.996 3.326 1.00 0.54 C ATOM 895 O GLN A 61 9.135 -5.354 4.493 1.00 0.60 O ATOM 896 CB GLN A 61 8.344 -6.460 1.302 1.00 0.56 C ATOM 897 CG GLN A 61 7.770 -7.888 1.329 1.00 0.58 C ATOM 898 CD GLN A 61 7.470 -8.416 -0.072 1.00 1.25 C ATOM 899 OE1 GLN A 61 8.321 -8.367 -0.954 1.00 2.66 O ATOM 900 NE2 GLN A 61 6.250 -8.907 -0.273 1.00 0.82 N ATOM 0 H GLN A 61 6.720 -4.635 1.068 1.00 0.27 H new ATOM 0 HA GLN A 61 7.361 -6.337 3.173 1.00 0.48 H new ATOM 0 HB2 GLN A 61 8.051 -5.966 0.376 1.00 0.56 H new ATOM 0 HB3 GLN A 61 9.433 -6.504 1.308 1.00 0.56 H new ATOM 0 HG2 GLN A 61 8.479 -8.553 1.822 1.00 0.58 H new ATOM 0 HG3 GLN A 61 6.856 -7.899 1.923 1.00 0.58 H new ATOM 0 HE21 GLN A 61 5.576 -8.927 0.492 1.00 0.82 H new ATOM 0 HE22 GLN A 61 5.989 -9.264 -1.192 1.00 0.82 H new ATOM 909 N LYS A 62 9.745 -4.029 2.787 1.00 0.54 N ATOM 910 CA LYS A 62 10.817 -3.420 3.586 1.00 0.58 C ATOM 911 C LYS A 62 10.265 -2.736 4.845 1.00 0.52 C ATOM 912 O LYS A 62 10.912 -2.744 5.889 1.00 0.63 O ATOM 913 CB LYS A 62 11.743 -2.491 2.776 1.00 0.68 C ATOM 914 CG LYS A 62 11.062 -1.211 2.287 1.00 2.29 C ATOM 915 CD LYS A 62 12.034 -0.103 1.864 1.00 2.37 C ATOM 916 CE LYS A 62 11.213 1.126 1.424 1.00 4.49 C ATOM 917 NZ LYS A 62 12.033 2.305 1.082 1.00 5.13 N ATOM 0 H LYS A 62 9.644 -3.664 1.840 1.00 0.54 H new ATOM 0 HA LYS A 62 11.452 -4.244 3.910 1.00 0.58 H new ATOM 0 HB2 LYS A 62 12.601 -2.222 3.392 1.00 0.68 H new ATOM 0 HB3 LYS A 62 12.128 -3.038 1.915 1.00 0.68 H new ATOM 0 HG2 LYS A 62 10.418 -1.456 1.442 1.00 2.29 H new ATOM 0 HG3 LYS A 62 10.418 -0.830 3.079 1.00 2.29 H new ATOM 0 HD2 LYS A 62 12.694 0.159 2.691 1.00 2.37 H new ATOM 0 HD3 LYS A 62 12.668 -0.447 1.047 1.00 2.37 H new ATOM 0 HE2 LYS A 62 10.607 0.855 0.560 1.00 4.49 H new ATOM 0 HE3 LYS A 62 10.524 1.395 2.224 1.00 4.49 H new ATOM 0 HZ1 LYS A 62 11.501 2.922 0.435 1.00 5.13 H new ATOM 0 HZ2 LYS A 62 12.265 2.830 1.949 1.00 5.13 H new ATOM 0 HZ3 LYS A 62 12.912 1.995 0.620 1.00 5.13 H new ATOM 931 N ALA A 63 9.073 -2.136 4.751 1.00 0.36 N ATOM 932 CA ALA A 63 8.415 -1.499 5.885 1.00 0.36 C ATOM 933 C ALA A 63 8.043 -2.515 6.972 1.00 0.37 C ATOM 934 O ALA A 63 7.845 -2.129 8.124 1.00 0.65 O ATOM 935 CB ALA A 63 7.185 -0.726 5.408 1.00 0.36 C ATOM 0 H ALA A 63 8.541 -2.081 3.883 1.00 0.36 H new ATOM 0 HA ALA A 63 9.118 -0.798 6.335 1.00 0.36 H new ATOM 0 HB1 ALA A 63 6.699 -0.253 6.261 1.00 0.36 H new ATOM 0 HB2 ALA A 63 7.490 0.039 4.694 1.00 0.36 H new ATOM 0 HB3 ALA A 63 6.488 -1.412 4.928 1.00 0.36 H new ATOM 941 N GLY A 64 7.957 -3.799 6.610 1.00 0.43 N ATOM 942 CA GLY A 64 7.780 -4.902 7.536 1.00 0.46 C ATOM 943 C GLY A 64 6.327 -5.355 7.595 1.00 0.44 C ATOM 944 O GLY A 64 5.849 -5.719 8.668 1.00 0.60 O ATOM 0 H GLY A 64 8.011 -4.099 5.637 1.00 0.43 H new ATOM 0 HA2 GLY A 64 8.411 -5.738 7.232 1.00 0.46 H new ATOM 0 HA3 GLY A 64 8.108 -4.600 8.530 1.00 0.46 H new ATOM 948 N TYR A 65 5.630 -5.354 6.453 1.00 0.41 N ATOM 949 CA TYR A 65 4.274 -5.871 6.349 1.00 0.45 C ATOM 950 C TYR A 65 4.208 -6.878 5.205 1.00 0.56 C ATOM 951 O TYR A 65 4.507 -6.543 4.059 1.00 1.19 O ATOM 952 CB TYR A 65 3.280 -4.723 6.131 1.00 0.56 C ATOM 953 CG TYR A 65 3.444 -3.572 7.104 1.00 0.63 C ATOM 954 CD1 TYR A 65 3.266 -3.791 8.482 1.00 1.93 C ATOM 955 CD2 TYR A 65 3.915 -2.325 6.650 1.00 1.73 C ATOM 956 CE1 TYR A 65 3.630 -2.796 9.406 1.00 2.12 C ATOM 957 CE2 TYR A 65 4.248 -1.319 7.574 1.00 1.71 C ATOM 958 CZ TYR A 65 4.157 -1.576 8.951 1.00 1.09 C ATOM 959 OH TYR A 65 4.559 -0.633 9.853 1.00 1.41 O ATOM 0 H TYR A 65 5.999 -4.991 5.574 1.00 0.41 H new ATOM 0 HA TYR A 65 4.002 -6.373 7.277 1.00 0.45 H new ATOM 0 HB2 TYR A 65 3.394 -4.345 5.115 1.00 0.56 H new ATOM 0 HB3 TYR A 65 2.266 -5.114 6.214 1.00 0.56 H new ATOM 0 HD1 TYR A 65 2.849 -4.724 8.831 1.00 1.93 H new ATOM 0 HD2 TYR A 65 4.021 -2.141 5.591 1.00 1.73 H new ATOM 0 HE1 TYR A 65 3.505 -2.969 10.465 1.00 2.12 H new ATOM 0 HE2 TYR A 65 4.573 -0.350 7.225 1.00 1.71 H new ATOM 0 HH TYR A 65 5.533 -0.670 9.953 1.00 1.41 H new ATOM 969 N SER A 66 3.785 -8.104 5.509 1.00 0.60 N ATOM 970 CA SER A 66 3.559 -9.124 4.506 1.00 0.56 C ATOM 971 C SER A 66 2.184 -8.860 3.905 1.00 0.48 C ATOM 972 O SER A 66 1.176 -8.963 4.607 1.00 0.65 O ATOM 973 CB SER A 66 3.601 -10.512 5.153 1.00 0.71 C ATOM 974 OG SER A 66 4.806 -10.666 5.879 1.00 2.00 O ATOM 0 H SER A 66 3.591 -8.411 6.462 1.00 0.60 H new ATOM 0 HA SER A 66 4.329 -9.094 3.735 1.00 0.56 H new ATOM 0 HB2 SER A 66 2.746 -10.640 5.818 1.00 0.71 H new ATOM 0 HB3 SER A 66 3.526 -11.283 4.386 1.00 0.71 H new ATOM 0 HG SER A 66 4.828 -11.554 6.292 1.00 2.00 H new ATOM 980 N LEU A 67 2.155 -8.504 2.620 1.00 0.53 N ATOM 981 CA LEU A 67 0.927 -8.352 1.863 1.00 0.53 C ATOM 982 C LEU A 67 0.791 -9.450 0.820 1.00 0.51 C ATOM 983 O LEU A 67 1.659 -10.313 0.688 1.00 0.49 O ATOM 984 CB LEU A 67 0.815 -6.948 1.247 1.00 0.44 C ATOM 985 CG LEU A 67 1.935 -6.501 0.304 1.00 0.35 C ATOM 986 CD1 LEU A 67 1.919 -7.272 -1.017 1.00 0.74 C ATOM 987 CD2 LEU A 67 1.653 -5.018 0.058 1.00 0.81 C ATOM 0 H LEU A 67 2.996 -8.313 2.076 1.00 0.53 H new ATOM 0 HA LEU A 67 0.090 -8.458 2.554 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -0.127 -6.894 0.701 1.00 0.44 H new ATOM 0 HB3 LEU A 67 0.753 -6.227 2.062 1.00 0.44 H new ATOM 0 HG LEU A 67 2.918 -6.685 0.737 1.00 0.35 H new ATOM 0 HD11 LEU A 67 2.731 -6.921 -1.653 1.00 0.74 H new ATOM 0 HD12 LEU A 67 2.048 -8.336 -0.819 1.00 0.74 H new ATOM 0 HD13 LEU A 67 0.967 -7.110 -1.522 1.00 0.74 H new ATOM 0 HD21 LEU A 67 2.410 -4.610 -0.612 1.00 0.81 H new ATOM 0 HD22 LEU A 67 0.668 -4.905 -0.396 1.00 0.81 H new ATOM 0 HD23 LEU A 67 1.679 -4.481 1.006 1.00 0.81 H new ATOM 999 N ARG A 68 -0.305 -9.390 0.067 1.00 0.64 N ATOM 1000 CA ARG A 68 -0.489 -10.096 -1.177 1.00 0.72 C ATOM 1001 C ARG A 68 -1.032 -9.056 -2.143 1.00 0.83 C ATOM 1002 O ARG A 68 -1.969 -8.328 -1.801 1.00 1.16 O ATOM 1003 CB ARG A 68 -1.475 -11.246 -0.983 1.00 0.87 C ATOM 1004 CG ARG A 68 -0.930 -12.223 0.069 1.00 0.57 C ATOM 1005 CD ARG A 68 -1.764 -13.504 0.165 1.00 1.26 C ATOM 1006 NE ARG A 68 -1.200 -14.429 1.164 1.00 1.88 N ATOM 1007 CZ ARG A 68 -0.122 -15.213 0.982 1.00 2.36 C ATOM 1008 NH1 ARG A 68 0.520 -15.206 -0.191 1.00 2.91 N ATOM 1009 NH2 ARG A 68 0.310 -15.997 1.976 1.00 3.23 N ATOM 0 H ARG A 68 -1.113 -8.824 0.325 1.00 0.64 H new ATOM 0 HA ARG A 68 0.434 -10.540 -1.550 1.00 0.72 H new ATOM 0 HB2 ARG A 68 -2.443 -10.858 -0.666 1.00 0.87 H new ATOM 0 HB3 ARG A 68 -1.633 -11.765 -1.928 1.00 0.87 H new ATOM 0 HG2 ARG A 68 0.100 -12.481 -0.178 1.00 0.57 H new ATOM 0 HG3 ARG A 68 -0.911 -11.732 1.042 1.00 0.57 H new ATOM 0 HD2 ARG A 68 -2.790 -13.254 0.434 1.00 1.26 H new ATOM 0 HD3 ARG A 68 -1.800 -13.993 -0.809 1.00 1.26 H new ATOM 0 HE ARG A 68 -1.666 -14.479 2.070 1.00 1.88 H new ATOM 0 HH11 ARG A 68 0.192 -14.606 -0.948 1.00 2.91 H new ATOM 0 HH12 ARG A 68 1.337 -15.801 -0.329 1.00 2.91 H new ATOM 0 HH21 ARG A 68 -0.178 -16.000 2.872 1.00 3.23 H new ATOM 0 HH22 ARG A 68 1.127 -16.592 1.838 1.00 3.23 H new ATOM 1023 N ASP A 69 -0.388 -8.961 -3.304 1.00 0.67 N ATOM 1024 CA ASP A 69 -0.736 -8.077 -4.380 1.00 0.72 C ATOM 1025 C ASP A 69 -2.097 -8.496 -4.886 1.00 0.64 C ATOM 1026 O ASP A 69 -2.246 -9.619 -5.371 1.00 0.83 O ATOM 1027 CB ASP A 69 0.275 -8.264 -5.510 1.00 0.83 C ATOM 1028 CG ASP A 69 -0.084 -7.414 -6.711 1.00 2.15 C ATOM 1029 OD1 ASP A 69 -0.433 -6.235 -6.511 1.00 3.67 O ATOM 1030 OD2 ASP A 69 -0.031 -7.930 -7.847 1.00 2.88 O ATOM 0 H ASP A 69 0.429 -9.533 -3.516 1.00 0.67 H new ATOM 0 HA ASP A 69 -0.740 -7.039 -4.048 1.00 0.72 H new ATOM 0 HB2 ASP A 69 1.272 -7.998 -5.158 1.00 0.83 H new ATOM 0 HB3 ASP A 69 0.309 -9.314 -5.801 1.00 0.83 H new ATOM 1035 N GLU A 70 -3.079 -7.617 -4.736 1.00 0.56 N ATOM 1036 CA GLU A 70 -4.390 -7.869 -5.293 1.00 0.56 C ATOM 1037 C GLU A 70 -4.536 -7.317 -6.701 1.00 0.66 C ATOM 1038 O GLU A 70 -3.750 -6.507 -7.190 1.00 0.83 O ATOM 1039 CB GLU A 70 -5.546 -7.419 -4.389 1.00 0.58 C ATOM 1040 CG GLU A 70 -6.046 -8.576 -3.536 1.00 0.51 C ATOM 1041 CD GLU A 70 -6.677 -9.725 -4.320 1.00 1.67 C ATOM 1042 OE1 GLU A 70 -6.838 -9.556 -5.550 1.00 2.78 O ATOM 1043 OE2 GLU A 70 -6.965 -10.755 -3.658 1.00 2.66 O ATOM 0 H GLU A 70 -2.989 -6.732 -4.237 1.00 0.56 H new ATOM 0 HA GLU A 70 -4.465 -8.955 -5.355 1.00 0.56 H new ATOM 0 HB2 GLU A 70 -5.215 -6.604 -3.746 1.00 0.58 H new ATOM 0 HB3 GLU A 70 -6.362 -7.032 -5.000 1.00 0.58 H new ATOM 0 HG2 GLU A 70 -5.211 -8.967 -2.954 1.00 0.51 H new ATOM 0 HG3 GLU A 70 -6.779 -8.194 -2.825 1.00 0.51 H new ATOM 1050 N GLN A 71 -5.595 -7.796 -7.345 1.00 0.68 N ATOM 1051 CA GLN A 71 -5.984 -7.341 -8.669 1.00 0.76 C ATOM 1052 C GLN A 71 -6.374 -5.855 -8.645 1.00 0.64 C ATOM 1053 O GLN A 71 -6.531 -5.243 -7.583 1.00 0.72 O ATOM 1054 CB GLN A 71 -7.108 -8.230 -9.213 1.00 1.03 C ATOM 1055 CG GLN A 71 -6.807 -9.736 -9.145 1.00 2.67 C ATOM 1056 CD GLN A 71 -5.471 -10.116 -9.780 1.00 4.63 C ATOM 1057 OE1 GLN A 71 -4.379 -10.010 -9.028 1.00 5.38 O flip ATOM 1058 NE2 GLN A 71 -5.414 -10.514 -10.939 1.00 5.79 N flip ATOM 0 H GLN A 71 -6.208 -8.514 -6.959 1.00 0.68 H new ATOM 0 HA GLN A 71 -5.134 -7.429 -9.345 1.00 0.76 H new ATOM 0 HB2 GLN A 71 -8.020 -8.027 -8.652 1.00 1.03 H new ATOM 0 HB3 GLN A 71 -7.304 -7.956 -10.250 1.00 1.03 H new ATOM 0 HG2 GLN A 71 -6.808 -10.053 -8.102 1.00 2.67 H new ATOM 0 HG3 GLN A 71 -7.607 -10.282 -9.645 1.00 2.67 H new ATOM 0 HE21 GLN A 71 -6.266 -10.587 -11.496 1.00 5.79 H new ATOM 0 HE22 GLN A 71 -4.515 -10.772 -11.346 1.00 5.79 H new