USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -162:sc= -0.0153 (180deg=-0.172) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 167:sc=-0.00197 (180deg=-0.0875) USER MOD Single : A 18 GLN : amide:sc= -3.11! C(o=-3.1!,f=-6.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -124:sc= -1.9! USER MOD Single : A 28 GLN : amide:sc= -0.0135 X(o=-0.014,f=-0.014) USER MOD Single : A 29 ASN : amide:sc= -1.25 K(o=-1.2,f=-4.9!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -61:sc= 0.375 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -172:sc= 0 (180deg=-0.049) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0114) USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0767) USER MOD Single : A 63 ASN : amide:sc= -0.891 K(o=-0.89,f=-2.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -103:sc= -1.42! (180deg=-3.91!) USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.428) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 140:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.970 26.502 10.212 1.00 0.00 N ATOM 2 CA GLY A 1 2.464 25.316 9.547 1.00 0.00 C ATOM 3 C GLY A 1 3.527 24.248 9.376 1.00 0.00 C ATOM 4 O GLY A 1 4.345 24.319 8.460 1.00 0.00 O ATOM 0 H1 GLY A 1 2.205 27.201 10.305 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.322 26.247 11.157 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.746 26.910 9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.633 24.908 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.070 25.592 8.569 1.00 0.00 H new ATOM 8 N SER A 2 3.515 23.258 10.262 1.00 0.00 N ATOM 9 CA SER A 2 4.489 22.174 10.209 1.00 0.00 C ATOM 10 C SER A 2 3.792 20.817 10.212 1.00 0.00 C ATOM 11 O SER A 2 4.013 19.990 9.327 1.00 0.00 O ATOM 12 CB SER A 2 5.453 22.267 11.393 1.00 0.00 C ATOM 13 OG SER A 2 6.642 21.537 11.142 1.00 0.00 O ATOM 0 H SER A 2 2.842 23.184 11.025 1.00 0.00 H new ATOM 0 HA SER A 2 5.054 22.271 9.282 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.698 23.312 11.585 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.969 21.882 12.291 1.00 0.00 H new ATOM 0 HG SER A 2 7.242 21.614 11.913 1.00 0.00 H new ATOM 19 N SER A 3 2.949 20.594 11.215 1.00 0.00 N ATOM 20 CA SER A 3 2.221 19.336 11.337 1.00 0.00 C ATOM 21 C SER A 3 0.940 19.367 10.509 1.00 0.00 C ATOM 22 O SER A 3 -0.113 18.913 10.957 1.00 0.00 O ATOM 23 CB SER A 3 1.888 19.056 12.804 1.00 0.00 C ATOM 24 OG SER A 3 0.957 20.000 13.305 1.00 0.00 O ATOM 0 H SER A 3 2.753 21.268 11.955 1.00 0.00 H new ATOM 0 HA SER A 3 2.858 18.537 10.958 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.479 18.050 12.902 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.800 19.089 13.400 1.00 0.00 H new ATOM 0 HG SER A 3 0.759 19.798 14.243 1.00 0.00 H new ATOM 30 N GLY A 4 1.038 19.906 9.298 1.00 0.00 N ATOM 31 CA GLY A 4 -0.119 19.987 8.426 1.00 0.00 C ATOM 32 C GLY A 4 0.190 19.544 7.010 1.00 0.00 C ATOM 33 O GLY A 4 1.336 19.614 6.566 1.00 0.00 O ATOM 0 H GLY A 4 1.898 20.288 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.919 19.367 8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.487 21.013 8.410 1.00 0.00 H new ATOM 37 N SER A 5 -0.834 19.084 6.298 1.00 0.00 N ATOM 38 CA SER A 5 -0.666 18.622 4.926 1.00 0.00 C ATOM 39 C SER A 5 -1.517 19.447 3.966 1.00 0.00 C ATOM 40 O SER A 5 -2.633 19.848 4.297 1.00 0.00 O ATOM 41 CB SER A 5 -1.039 17.143 4.814 1.00 0.00 C ATOM 42 OG SER A 5 -2.334 16.903 5.336 1.00 0.00 O ATOM 0 H SER A 5 -1.789 19.022 6.650 1.00 0.00 H new ATOM 0 HA SER A 5 0.382 18.747 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.001 16.833 3.770 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.309 16.539 5.352 1.00 0.00 H new ATOM 0 HG SER A 5 -2.550 15.951 5.251 1.00 0.00 H new ATOM 48 N SER A 6 -0.982 19.698 2.775 1.00 0.00 N ATOM 49 CA SER A 6 -1.690 20.478 1.768 1.00 0.00 C ATOM 50 C SER A 6 -1.933 19.650 0.510 1.00 0.00 C ATOM 51 O SER A 6 -1.025 18.995 0.000 1.00 0.00 O ATOM 52 CB SER A 6 -0.896 21.738 1.417 1.00 0.00 C ATOM 53 OG SER A 6 -1.655 22.607 0.594 1.00 0.00 O ATOM 0 H SER A 6 -0.060 19.372 2.484 1.00 0.00 H new ATOM 0 HA SER A 6 -2.655 20.769 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.609 22.257 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.025 21.460 0.905 1.00 0.00 H new ATOM 0 HG SER A 6 -1.126 23.405 0.385 1.00 0.00 H new ATOM 59 N GLY A 7 -3.166 19.684 0.015 1.00 0.00 N ATOM 60 CA GLY A 7 -3.508 18.932 -1.179 1.00 0.00 C ATOM 61 C GLY A 7 -5.004 18.851 -1.405 1.00 0.00 C ATOM 62 O GLY A 7 -5.777 19.653 -0.880 1.00 0.00 O ATOM 0 H GLY A 7 -3.935 20.219 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.038 19.398 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.101 17.924 -1.099 1.00 0.00 H new ATOM 66 N PRO A 8 -5.433 17.864 -2.205 1.00 0.00 N ATOM 67 CA PRO A 8 -6.851 17.659 -2.519 1.00 0.00 C ATOM 68 C PRO A 8 -7.645 17.161 -1.316 1.00 0.00 C ATOM 69 O PRO A 8 -7.327 16.122 -0.736 1.00 0.00 O ATOM 70 CB PRO A 8 -6.820 16.593 -3.617 1.00 0.00 C ATOM 71 CG PRO A 8 -5.543 15.858 -3.396 1.00 0.00 C ATOM 72 CD PRO A 8 -4.568 16.872 -2.865 1.00 0.00 C ATOM 0 HA PRO A 8 -7.340 18.586 -2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.679 15.925 -3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.850 17.045 -4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.681 15.041 -2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.181 15.417 -4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.864 16.424 -2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.980 17.321 -3.665 1.00 0.00 H new ATOM 80 N THR A 9 -8.680 17.909 -0.945 1.00 0.00 N ATOM 81 CA THR A 9 -9.519 17.544 0.189 1.00 0.00 C ATOM 82 C THR A 9 -10.751 16.771 -0.265 1.00 0.00 C ATOM 83 O THR A 9 -11.545 17.263 -1.068 1.00 0.00 O ATOM 84 CB THR A 9 -9.969 18.788 0.978 1.00 0.00 C ATOM 85 OG1 THR A 9 -10.829 18.400 2.055 1.00 0.00 O ATOM 86 CG2 THR A 9 -10.694 19.771 0.071 1.00 0.00 C ATOM 0 H THR A 9 -8.957 18.771 -1.414 1.00 0.00 H new ATOM 0 HA THR A 9 -8.915 16.910 0.838 1.00 0.00 H new ATOM 0 HB THR A 9 -9.082 19.277 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.109 19.196 2.553 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.002 20.641 0.650 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.026 20.087 -0.731 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.573 19.290 -0.357 1.00 0.00 H new ATOM 94 N LYS A 10 -10.908 15.558 0.254 1.00 0.00 N ATOM 95 CA LYS A 10 -12.046 14.716 -0.096 1.00 0.00 C ATOM 96 C LYS A 10 -12.222 13.590 0.918 1.00 0.00 C ATOM 97 O LYS A 10 -11.384 13.399 1.800 1.00 0.00 O ATOM 98 CB LYS A 10 -11.861 14.130 -1.498 1.00 0.00 C ATOM 99 CG LYS A 10 -12.178 15.111 -2.614 1.00 0.00 C ATOM 100 CD LYS A 10 -12.687 14.398 -3.855 1.00 0.00 C ATOM 101 CE LYS A 10 -13.645 15.274 -4.648 1.00 0.00 C ATOM 102 NZ LYS A 10 -14.952 15.435 -3.954 1.00 0.00 N ATOM 0 H LYS A 10 -10.261 15.136 0.919 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.942 15.336 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.832 13.789 -1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.500 13.253 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.927 15.825 -2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.284 15.682 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.844 14.116 -4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.191 13.476 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.195 16.254 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.808 14.835 -5.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.667 15.765 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.249 14.521 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.855 16.131 -3.188 1.00 0.00 H new ATOM 116 N TYR A 11 -13.315 12.847 0.785 1.00 0.00 N ATOM 117 CA TYR A 11 -13.601 11.740 1.691 1.00 0.00 C ATOM 118 C TYR A 11 -13.029 10.433 1.150 1.00 0.00 C ATOM 119 O TYR A 11 -13.703 9.402 1.144 1.00 0.00 O ATOM 120 CB TYR A 11 -15.109 11.602 1.901 1.00 0.00 C ATOM 121 CG TYR A 11 -15.808 12.919 2.157 1.00 0.00 C ATOM 122 CD1 TYR A 11 -16.161 13.757 1.107 1.00 0.00 C ATOM 123 CD2 TYR A 11 -16.115 13.324 3.451 1.00 0.00 C ATOM 124 CE1 TYR A 11 -16.798 14.961 1.337 1.00 0.00 C ATOM 125 CE2 TYR A 11 -16.754 14.525 3.690 1.00 0.00 C ATOM 126 CZ TYR A 11 -17.093 15.340 2.630 1.00 0.00 C ATOM 127 OH TYR A 11 -17.729 16.538 2.864 1.00 0.00 O ATOM 0 H TYR A 11 -14.017 12.991 0.059 1.00 0.00 H new ATOM 0 HA TYR A 11 -13.126 11.955 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -15.548 11.132 1.021 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -15.290 10.934 2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -15.934 13.462 0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.849 12.689 4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -17.063 15.602 0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -16.987 14.824 4.701 1.00 0.00 H new ATOM 0 HH TYR A 11 -17.864 16.654 3.828 1.00 0.00 H new ATOM 137 N LYS A 12 -11.781 10.483 0.697 1.00 0.00 N ATOM 138 CA LYS A 12 -11.116 9.304 0.156 1.00 0.00 C ATOM 139 C LYS A 12 -9.950 8.881 1.045 1.00 0.00 C ATOM 140 O LYS A 12 -9.139 9.710 1.455 1.00 0.00 O ATOM 141 CB LYS A 12 -10.614 9.582 -1.263 1.00 0.00 C ATOM 142 CG LYS A 12 -11.676 9.390 -2.332 1.00 0.00 C ATOM 143 CD LYS A 12 -11.442 10.306 -3.521 1.00 0.00 C ATOM 144 CE LYS A 12 -10.335 9.780 -4.422 1.00 0.00 C ATOM 145 NZ LYS A 12 -10.778 8.597 -5.211 1.00 0.00 N ATOM 0 H LYS A 12 -11.210 11.328 0.694 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.841 8.491 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.240 10.605 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.772 8.924 -1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.675 8.352 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.660 9.587 -1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.364 10.402 -4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.181 11.303 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.013 10.570 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.471 9.509 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.087 8.403 -5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.850 7.770 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.707 8.791 -5.636 1.00 0.00 H new ATOM 159 N GLU A 13 -9.873 7.586 1.336 1.00 0.00 N ATOM 160 CA GLU A 13 -8.806 7.055 2.175 1.00 0.00 C ATOM 161 C GLU A 13 -8.878 5.532 2.249 1.00 0.00 C ATOM 162 O GLU A 13 -9.960 4.948 2.179 1.00 0.00 O ATOM 163 CB GLU A 13 -8.890 7.649 3.582 1.00 0.00 C ATOM 164 CG GLU A 13 -10.202 7.355 4.290 1.00 0.00 C ATOM 165 CD GLU A 13 -10.246 7.920 5.697 1.00 0.00 C ATOM 166 OE1 GLU A 13 -9.565 7.361 6.582 1.00 0.00 O ATOM 167 OE2 GLU A 13 -10.961 8.921 5.911 1.00 0.00 O ATOM 0 H GLU A 13 -10.536 6.886 1.003 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.853 7.335 1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.068 7.258 4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.754 8.729 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.025 7.772 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.355 6.277 4.331 1.00 0.00 H new ATOM 174 N ARG A 14 -7.720 4.897 2.390 1.00 0.00 N ATOM 175 CA ARG A 14 -7.651 3.443 2.471 1.00 0.00 C ATOM 176 C ARG A 14 -8.313 2.938 3.750 1.00 0.00 C ATOM 177 O ARG A 14 -8.629 3.719 4.647 1.00 0.00 O ATOM 178 CB ARG A 14 -6.195 2.976 2.419 1.00 0.00 C ATOM 179 CG ARG A 14 -5.459 3.417 1.165 1.00 0.00 C ATOM 180 CD ARG A 14 -5.782 2.515 -0.017 1.00 0.00 C ATOM 181 NE ARG A 14 -5.582 3.194 -1.294 1.00 0.00 N ATOM 182 CZ ARG A 14 -6.316 4.224 -1.702 1.00 0.00 C ATOM 183 NH1 ARG A 14 -7.292 4.691 -0.936 1.00 0.00 N ATOM 184 NH2 ARG A 14 -6.073 4.789 -2.878 1.00 0.00 N ATOM 0 H ARG A 14 -6.816 5.366 2.451 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.188 3.031 1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.668 3.359 3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.169 1.888 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.731 4.445 0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.385 3.406 1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.153 1.626 0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.816 2.178 0.056 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.838 2.859 -1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.481 4.260 -0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.854 5.482 -1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.322 4.433 -3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.637 5.579 -3.190 1.00 0.00 H new ATOM 198 N ALA A 15 -8.519 1.627 3.826 1.00 0.00 N ATOM 199 CA ALA A 15 -9.142 1.018 4.995 1.00 0.00 C ATOM 200 C ALA A 15 -8.202 1.048 6.195 1.00 0.00 C ATOM 201 O ALA A 15 -6.979 1.062 6.056 1.00 0.00 O ATOM 202 CB ALA A 15 -9.560 -0.412 4.685 1.00 0.00 C ATOM 0 H ALA A 15 -8.264 0.966 3.092 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.030 1.598 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.024 -0.855 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.273 -0.412 3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.683 -0.995 4.405 1.00 0.00 H new ATOM 208 N PRO A 16 -8.784 1.059 7.403 1.00 0.00 N ATOM 209 CA PRO A 16 -8.017 1.088 8.652 1.00 0.00 C ATOM 210 C PRO A 16 -7.281 -0.223 8.910 1.00 0.00 C ATOM 211 O PRO A 16 -6.270 -0.249 9.611 1.00 0.00 O ATOM 212 CB PRO A 16 -9.087 1.319 9.721 1.00 0.00 C ATOM 213 CG PRO A 16 -10.343 0.787 9.121 1.00 0.00 C ATOM 214 CD PRO A 16 -10.237 1.043 7.644 1.00 0.00 C ATOM 0 HA PRO A 16 -7.240 1.852 8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.840 0.800 10.647 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.182 2.377 9.964 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.453 -0.278 9.326 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.217 1.284 9.541 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.732 0.263 7.065 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.701 1.989 7.366 1.00 0.00 H new ATOM 222 N GLU A 17 -7.795 -1.307 8.339 1.00 0.00 N ATOM 223 CA GLU A 17 -7.185 -2.621 8.509 1.00 0.00 C ATOM 224 C GLU A 17 -6.027 -2.814 7.533 1.00 0.00 C ATOM 225 O GLU A 17 -4.964 -3.309 7.906 1.00 0.00 O ATOM 226 CB GLU A 17 -8.227 -3.722 8.304 1.00 0.00 C ATOM 227 CG GLU A 17 -8.976 -4.095 9.573 1.00 0.00 C ATOM 228 CD GLU A 17 -8.272 -5.177 10.369 1.00 0.00 C ATOM 229 OE1 GLU A 17 -7.784 -6.145 9.749 1.00 0.00 O ATOM 230 OE2 GLU A 17 -8.211 -5.057 11.610 1.00 0.00 O ATOM 0 H GLU A 17 -8.631 -1.302 7.755 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.796 -2.683 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.945 -3.396 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.733 -4.610 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.092 -3.208 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.978 -4.435 9.312 1.00 0.00 H new ATOM 237 N GLN A 18 -6.243 -2.419 6.283 1.00 0.00 N ATOM 238 CA GLN A 18 -5.219 -2.549 5.253 1.00 0.00 C ATOM 239 C GLN A 18 -4.001 -1.693 5.586 1.00 0.00 C ATOM 240 O GLN A 18 -2.871 -2.182 5.601 1.00 0.00 O ATOM 241 CB GLN A 18 -5.782 -2.147 3.889 1.00 0.00 C ATOM 242 CG GLN A 18 -7.017 -2.937 3.485 1.00 0.00 C ATOM 243 CD GLN A 18 -7.679 -2.386 2.237 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.801 -1.882 2.287 1.00 0.00 O ATOM 245 NE2 GLN A 18 -6.986 -2.479 1.108 1.00 0.00 N ATOM 0 H GLN A 18 -7.118 -2.006 5.959 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.908 -3.593 5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.029 -1.085 3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.010 -2.283 3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.739 -3.977 3.315 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.734 -2.929 4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.059 -2.904 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.381 -2.125 0.237 1.00 0.00 H new ATOM 254 N LEU A 19 -4.238 -0.413 5.851 1.00 0.00 N ATOM 255 CA LEU A 19 -3.161 0.512 6.183 1.00 0.00 C ATOM 256 C LEU A 19 -2.276 -0.057 7.288 1.00 0.00 C ATOM 257 O LEU A 19 -1.060 -0.168 7.128 1.00 0.00 O ATOM 258 CB LEU A 19 -3.736 1.861 6.618 1.00 0.00 C ATOM 259 CG LEU A 19 -4.100 2.830 5.492 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.654 4.126 6.063 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.889 3.106 4.614 1.00 0.00 C ATOM 0 H LEU A 19 -5.167 0.008 5.842 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.551 0.655 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.629 1.677 7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.012 2.349 7.270 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.872 2.369 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.908 4.804 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.548 3.913 6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.904 4.592 6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.166 3.797 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.095 3.547 5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.536 2.172 4.177 1.00 0.00 H new ATOM 273 N ARG A 20 -2.894 -0.417 8.407 1.00 0.00 N ATOM 274 CA ARG A 20 -2.163 -0.975 9.538 1.00 0.00 C ATOM 275 C ARG A 20 -1.030 -1.879 9.061 1.00 0.00 C ATOM 276 O ARG A 20 0.098 -1.783 9.541 1.00 0.00 O ATOM 277 CB ARG A 20 -3.110 -1.762 10.446 1.00 0.00 C ATOM 278 CG ARG A 20 -2.410 -2.445 11.610 1.00 0.00 C ATOM 279 CD ARG A 20 -3.395 -2.835 12.701 1.00 0.00 C ATOM 280 NE ARG A 20 -2.771 -2.849 14.022 1.00 0.00 N ATOM 281 CZ ARG A 20 -2.454 -1.750 14.697 1.00 0.00 C ATOM 282 NH1 ARG A 20 -2.701 -0.555 14.179 1.00 0.00 N ATOM 283 NH2 ARG A 20 -1.888 -1.845 15.894 1.00 0.00 N ATOM 0 H ARG A 20 -3.900 -0.332 8.555 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.732 -0.149 10.103 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.871 -1.086 10.837 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.627 -2.515 9.852 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.890 -3.334 11.253 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.653 -1.778 12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.231 -2.135 12.702 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.805 -3.821 12.483 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.568 -3.753 14.449 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.136 -0.478 13.260 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.456 0.287 14.700 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.696 -2.763 16.296 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.645 -1.000 16.412 1.00 0.00 H new ATOM 297 N ALA A 21 -1.341 -2.757 8.113 1.00 0.00 N ATOM 298 CA ALA A 21 -0.349 -3.677 7.569 1.00 0.00 C ATOM 299 C ALA A 21 0.612 -2.956 6.630 1.00 0.00 C ATOM 300 O ALA A 21 1.806 -3.257 6.596 1.00 0.00 O ATOM 301 CB ALA A 21 -1.035 -4.825 6.845 1.00 0.00 C ATOM 0 H ALA A 21 -2.272 -2.851 7.706 1.00 0.00 H new ATOM 0 HA ALA A 21 0.230 -4.080 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.282 -5.504 6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.675 -5.364 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.640 -4.431 6.028 1.00 0.00 H new ATOM 307 N LEU A 22 0.085 -2.003 5.869 1.00 0.00 N ATOM 308 CA LEU A 22 0.896 -1.239 4.928 1.00 0.00 C ATOM 309 C LEU A 22 1.858 -0.313 5.665 1.00 0.00 C ATOM 310 O LEU A 22 3.075 -0.483 5.594 1.00 0.00 O ATOM 311 CB LEU A 22 -0.001 -0.423 3.996 1.00 0.00 C ATOM 312 CG LEU A 22 -0.874 -1.227 3.031 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.928 -0.334 2.395 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.018 -1.890 1.963 1.00 0.00 C ATOM 0 H LEU A 22 -0.901 -1.741 5.885 1.00 0.00 H new ATOM 0 HA LEU A 22 1.480 -1.943 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.651 0.203 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.630 0.247 3.412 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.382 -2.008 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.540 -0.923 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.561 0.092 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.440 0.470 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.656 -2.458 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.519 -1.126 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.698 -2.562 2.436 1.00 0.00 H new ATOM 326 N GLU A 23 1.304 0.665 6.374 1.00 0.00 N ATOM 327 CA GLU A 23 2.113 1.617 7.126 1.00 0.00 C ATOM 328 C GLU A 23 3.217 0.900 7.899 1.00 0.00 C ATOM 329 O GLU A 23 4.390 1.266 7.809 1.00 0.00 O ATOM 330 CB GLU A 23 1.236 2.416 8.092 1.00 0.00 C ATOM 331 CG GLU A 23 0.384 3.472 7.408 1.00 0.00 C ATOM 332 CD GLU A 23 1.115 4.790 7.237 1.00 0.00 C ATOM 333 OE1 GLU A 23 2.053 4.845 6.415 1.00 0.00 O ATOM 334 OE2 GLU A 23 0.750 5.765 7.926 1.00 0.00 O ATOM 0 H GLU A 23 0.298 0.819 6.444 1.00 0.00 H new ATOM 0 HA GLU A 23 2.575 2.302 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.584 1.729 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.873 2.899 8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.072 3.104 6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.522 3.636 7.991 1.00 0.00 H new ATOM 341 N SER A 24 2.834 -0.121 8.657 1.00 0.00 N ATOM 342 CA SER A 24 3.789 -0.886 9.449 1.00 0.00 C ATOM 343 C SER A 24 4.925 -1.409 8.574 1.00 0.00 C ATOM 344 O SER A 24 6.093 -1.363 8.961 1.00 0.00 O ATOM 345 CB SER A 24 3.088 -2.054 10.146 1.00 0.00 C ATOM 346 OG SER A 24 3.960 -2.706 11.052 1.00 0.00 O ATOM 0 H SER A 24 1.868 -0.438 8.740 1.00 0.00 H new ATOM 0 HA SER A 24 4.210 -0.222 10.204 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.211 -1.689 10.680 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.734 -2.766 9.401 1.00 0.00 H new ATOM 0 HG SER A 24 3.487 -3.447 11.485 1.00 0.00 H new ATOM 352 N SER A 25 4.572 -1.907 7.393 1.00 0.00 N ATOM 353 CA SER A 25 5.560 -2.443 6.464 1.00 0.00 C ATOM 354 C SER A 25 6.454 -1.332 5.921 1.00 0.00 C ATOM 355 O SER A 25 7.654 -1.524 5.727 1.00 0.00 O ATOM 356 CB SER A 25 4.864 -3.163 5.307 1.00 0.00 C ATOM 357 OG SER A 25 5.810 -3.756 4.434 1.00 0.00 O ATOM 0 H SER A 25 3.610 -1.950 7.057 1.00 0.00 H new ATOM 0 HA SER A 25 6.183 -3.155 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.196 -3.930 5.700 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.246 -2.456 4.753 1.00 0.00 H new ATOM 0 HG SER A 25 5.665 -3.427 3.522 1.00 0.00 H new ATOM 363 N PHE A 26 5.860 -0.168 5.679 1.00 0.00 N ATOM 364 CA PHE A 26 6.601 0.975 5.158 1.00 0.00 C ATOM 365 C PHE A 26 7.822 1.272 6.023 1.00 0.00 C ATOM 366 O PHE A 26 8.918 1.499 5.512 1.00 0.00 O ATOM 367 CB PHE A 26 5.697 2.208 5.090 1.00 0.00 C ATOM 368 CG PHE A 26 6.308 3.358 4.343 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.743 3.200 3.036 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.448 4.598 4.946 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.306 4.257 2.347 1.00 0.00 C ATOM 372 CE2 PHE A 26 7.010 5.659 4.261 1.00 0.00 C ATOM 373 CZ PHE A 26 7.438 5.488 2.959 1.00 0.00 C ATOM 0 H PHE A 26 4.868 0.009 5.835 1.00 0.00 H new ATOM 0 HA PHE A 26 6.942 0.727 4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.757 1.933 4.612 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.458 2.530 6.104 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.641 2.240 2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.114 4.737 5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.643 4.121 1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.114 6.620 4.743 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.875 6.316 2.420 1.00 0.00 H new ATOM 383 N ALA A 27 7.623 1.268 7.337 1.00 0.00 N ATOM 384 CA ALA A 27 8.707 1.536 8.275 1.00 0.00 C ATOM 385 C ALA A 27 9.945 0.715 7.930 1.00 0.00 C ATOM 386 O ALA A 27 11.069 1.212 8.001 1.00 0.00 O ATOM 387 CB ALA A 27 8.257 1.244 9.699 1.00 0.00 C ATOM 0 H ALA A 27 6.721 1.082 7.776 1.00 0.00 H new ATOM 0 HA ALA A 27 8.969 2.591 8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.076 1.448 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.406 1.877 9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.966 0.197 9.781 1.00 0.00 H new ATOM 393 N GLN A 28 9.731 -0.543 7.559 1.00 0.00 N ATOM 394 CA GLN A 28 10.832 -1.432 7.205 1.00 0.00 C ATOM 395 C GLN A 28 11.443 -1.035 5.866 1.00 0.00 C ATOM 396 O GLN A 28 12.653 -0.845 5.757 1.00 0.00 O ATOM 397 CB GLN A 28 10.346 -2.881 7.148 1.00 0.00 C ATOM 398 CG GLN A 28 9.967 -3.449 8.507 1.00 0.00 C ATOM 399 CD GLN A 28 11.175 -3.765 9.365 1.00 0.00 C ATOM 400 OE1 GLN A 28 11.923 -4.702 9.085 1.00 0.00 O ATOM 401 NE2 GLN A 28 11.373 -2.982 10.420 1.00 0.00 N ATOM 0 H GLN A 28 8.807 -0.970 7.496 1.00 0.00 H new ATOM 0 HA GLN A 28 11.599 -1.343 7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.483 -2.940 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.128 -3.501 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.331 -2.735 9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.379 -4.356 8.366 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.728 -2.216 10.615 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.170 -3.147 11.035 1.00 0.00 H new ATOM 410 N ASN A 29 10.597 -0.913 4.848 1.00 0.00 N ATOM 411 CA ASN A 29 11.055 -0.540 3.514 1.00 0.00 C ATOM 412 C ASN A 29 9.932 0.120 2.719 1.00 0.00 C ATOM 413 O ASN A 29 8.765 -0.261 2.812 1.00 0.00 O ATOM 414 CB ASN A 29 11.570 -1.771 2.766 1.00 0.00 C ATOM 415 CG ASN A 29 10.609 -2.942 2.848 1.00 0.00 C ATOM 416 OD1 ASN A 29 9.538 -2.839 3.446 1.00 0.00 O ATOM 417 ND2 ASN A 29 10.990 -4.063 2.246 1.00 0.00 N ATOM 0 H ASN A 29 9.591 -1.067 4.921 1.00 0.00 H new ATOM 0 HA ASN A 29 11.869 0.177 3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.736 -1.514 1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.534 -2.066 3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.386 -4.884 2.268 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.887 -4.102 1.762 1.00 0.00 H new ATOM 424 N PRO A 30 10.292 1.133 1.917 1.00 0.00 N ATOM 425 CA PRO A 30 9.331 1.866 1.088 1.00 0.00 C ATOM 426 C PRO A 30 8.790 1.020 -0.060 1.00 0.00 C ATOM 427 O PRO A 30 7.617 1.120 -0.420 1.00 0.00 O ATOM 428 CB PRO A 30 10.151 3.040 0.547 1.00 0.00 C ATOM 429 CG PRO A 30 11.561 2.559 0.571 1.00 0.00 C ATOM 430 CD PRO A 30 11.665 1.640 1.756 1.00 0.00 C ATOM 0 HA PRO A 30 8.451 2.169 1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.841 3.307 -0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.025 3.929 1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.810 2.035 -0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.256 3.393 0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.373 0.831 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.005 2.169 2.646 1.00 0.00 H new ATOM 438 N LEU A 31 9.653 0.187 -0.631 1.00 0.00 N ATOM 439 CA LEU A 31 9.262 -0.678 -1.739 1.00 0.00 C ATOM 440 C LEU A 31 9.670 -2.123 -1.472 1.00 0.00 C ATOM 441 O LEU A 31 10.709 -2.596 -1.933 1.00 0.00 O ATOM 442 CB LEU A 31 9.896 -0.189 -3.042 1.00 0.00 C ATOM 443 CG LEU A 31 9.327 1.106 -3.621 1.00 0.00 C ATOM 444 CD1 LEU A 31 9.881 1.357 -5.015 1.00 0.00 C ATOM 445 CD2 LEU A 31 7.806 1.054 -3.651 1.00 0.00 C ATOM 0 H LEU A 31 10.628 0.092 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 31 8.177 -0.638 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.964 -0.049 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.792 -0.975 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 31 9.630 1.932 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.464 2.283 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.967 1.439 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.609 0.528 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.418 1.984 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.483 0.218 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.426 0.923 -2.638 1.00 0.00 H new ATOM 457 N PRO A 32 8.834 -2.844 -0.710 1.00 0.00 N ATOM 458 CA PRO A 32 9.085 -4.247 -0.367 1.00 0.00 C ATOM 459 C PRO A 32 8.944 -5.173 -1.571 1.00 0.00 C ATOM 460 O PRO A 32 8.127 -4.931 -2.460 1.00 0.00 O ATOM 461 CB PRO A 32 8.007 -4.556 0.675 1.00 0.00 C ATOM 462 CG PRO A 32 6.909 -3.593 0.381 1.00 0.00 C ATOM 463 CD PRO A 32 7.577 -2.345 -0.126 1.00 0.00 C ATOM 0 HA PRO A 32 10.102 -4.403 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.662 -5.587 0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.387 -4.426 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.223 -3.998 -0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.322 -3.385 1.276 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.964 -1.834 -0.869 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.762 -1.633 0.678 1.00 0.00 H new ATOM 471 N LEU A 33 9.743 -6.233 -1.592 1.00 0.00 N ATOM 472 CA LEU A 33 9.707 -7.197 -2.687 1.00 0.00 C ATOM 473 C LEU A 33 8.434 -8.036 -2.632 1.00 0.00 C ATOM 474 O LEU A 33 7.577 -7.827 -1.773 1.00 0.00 O ATOM 475 CB LEU A 33 10.934 -8.108 -2.632 1.00 0.00 C ATOM 476 CG LEU A 33 12.282 -7.434 -2.895 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.426 -8.374 -2.546 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.381 -6.988 -4.347 1.00 0.00 C ATOM 0 H LEU A 33 10.424 -6.448 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 33 9.715 -6.643 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.970 -8.577 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.801 -8.907 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 33 12.356 -6.552 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.377 -7.877 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.366 -8.645 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.356 -9.274 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.346 -6.511 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.285 -7.855 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.582 -6.279 -4.565 1.00 0.00 H new ATOM 490 N ASP A 34 8.319 -8.987 -3.552 1.00 0.00 N ATOM 491 CA ASP A 34 7.152 -9.860 -3.607 1.00 0.00 C ATOM 492 C ASP A 34 7.041 -10.698 -2.336 1.00 0.00 C ATOM 493 O ASP A 34 5.950 -10.881 -1.797 1.00 0.00 O ATOM 494 CB ASP A 34 7.230 -10.775 -4.830 1.00 0.00 C ATOM 495 CG ASP A 34 8.659 -11.093 -5.225 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.474 -11.379 -4.323 1.00 0.00 O ATOM 497 OD2 ASP A 34 8.961 -11.058 -6.436 1.00 0.00 O ATOM 0 H ASP A 34 9.019 -9.173 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 34 6.264 -9.234 -3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.699 -11.703 -4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.721 -10.300 -5.669 1.00 0.00 H new ATOM 502 N GLU A 35 8.176 -11.204 -1.866 1.00 0.00 N ATOM 503 CA GLU A 35 8.204 -12.024 -0.660 1.00 0.00 C ATOM 504 C GLU A 35 7.527 -11.304 0.503 1.00 0.00 C ATOM 505 O GLU A 35 6.624 -11.847 1.140 1.00 0.00 O ATOM 506 CB GLU A 35 9.647 -12.372 -0.287 1.00 0.00 C ATOM 507 CG GLU A 35 10.512 -11.157 0.002 1.00 0.00 C ATOM 508 CD GLU A 35 11.980 -11.508 0.150 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.291 -12.452 0.905 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.817 -10.836 -0.488 1.00 0.00 O ATOM 0 H GLU A 35 9.088 -11.061 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 35 7.656 -12.944 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.640 -13.019 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.096 -12.942 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.395 -10.432 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.163 -10.676 0.916 1.00 0.00 H new ATOM 517 N GLU A 36 7.970 -10.081 0.773 1.00 0.00 N ATOM 518 CA GLU A 36 7.408 -9.288 1.860 1.00 0.00 C ATOM 519 C GLU A 36 5.971 -8.878 1.548 1.00 0.00 C ATOM 520 O GLU A 36 5.150 -8.715 2.451 1.00 0.00 O ATOM 521 CB GLU A 36 8.262 -8.043 2.108 1.00 0.00 C ATOM 522 CG GLU A 36 7.730 -7.151 3.217 1.00 0.00 C ATOM 523 CD GLU A 36 7.345 -7.931 4.459 1.00 0.00 C ATOM 524 OE1 GLU A 36 8.230 -8.586 5.048 1.00 0.00 O ATOM 525 OE2 GLU A 36 6.157 -7.886 4.842 1.00 0.00 O ATOM 0 H GLU A 36 8.716 -9.617 0.254 1.00 0.00 H new ATOM 0 HA GLU A 36 7.405 -9.903 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.277 -8.353 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.323 -7.465 1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.487 -6.411 3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.861 -6.604 2.852 1.00 0.00 H new ATOM 532 N LEU A 37 5.676 -8.713 0.263 1.00 0.00 N ATOM 533 CA LEU A 37 4.339 -8.322 -0.170 1.00 0.00 C ATOM 534 C LEU A 37 3.366 -9.492 -0.060 1.00 0.00 C ATOM 535 O LEU A 37 2.169 -9.299 0.155 1.00 0.00 O ATOM 536 CB LEU A 37 4.377 -7.810 -1.611 1.00 0.00 C ATOM 537 CG LEU A 37 4.917 -6.393 -1.806 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.326 -6.171 -3.254 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.880 -5.364 -1.379 1.00 0.00 C ATOM 0 H LEU A 37 6.344 -8.844 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 37 3.992 -7.522 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.986 -8.494 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.366 -7.851 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 37 5.800 -6.272 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.708 -5.157 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.103 -6.885 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.461 -6.311 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.281 -4.361 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.979 -5.485 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.636 -5.508 -0.326 1.00 0.00 H new ATOM 551 N ASP A 38 3.889 -10.704 -0.206 1.00 0.00 N ATOM 552 CA ASP A 38 3.068 -11.906 -0.120 1.00 0.00 C ATOM 553 C ASP A 38 2.402 -12.013 1.248 1.00 0.00 C ATOM 554 O ASP A 38 1.271 -12.485 1.364 1.00 0.00 O ATOM 555 CB ASP A 38 3.917 -13.150 -0.386 1.00 0.00 C ATOM 556 CG ASP A 38 3.075 -14.395 -0.583 1.00 0.00 C ATOM 557 OD1 ASP A 38 1.901 -14.390 -0.158 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.590 -15.375 -1.162 1.00 0.00 O ATOM 0 H ASP A 38 4.878 -10.880 -0.384 1.00 0.00 H new ATOM 0 HA ASP A 38 2.289 -11.838 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.530 -12.985 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.600 -13.305 0.449 1.00 0.00 H new ATOM 563 N ARG A 39 3.112 -11.572 2.282 1.00 0.00 N ATOM 564 CA ARG A 39 2.591 -11.619 3.643 1.00 0.00 C ATOM 565 C ARG A 39 1.531 -10.543 3.857 1.00 0.00 C ATOM 566 O ARG A 39 0.449 -10.817 4.377 1.00 0.00 O ATOM 567 CB ARG A 39 3.726 -11.441 4.653 1.00 0.00 C ATOM 568 CG ARG A 39 3.316 -11.731 6.087 1.00 0.00 C ATOM 569 CD ARG A 39 4.497 -11.614 7.038 1.00 0.00 C ATOM 570 NE ARG A 39 4.073 -11.575 8.435 1.00 0.00 N ATOM 571 CZ ARG A 39 4.903 -11.732 9.460 1.00 0.00 C ATOM 572 NH1 ARG A 39 6.195 -11.936 9.245 1.00 0.00 N ATOM 573 NH2 ARG A 39 4.441 -11.683 10.703 1.00 0.00 N ATOM 0 H ARG A 39 4.050 -11.178 2.203 1.00 0.00 H new ATOM 0 HA ARG A 39 2.129 -12.594 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.551 -12.099 4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.100 -10.419 4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.533 -11.036 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.894 -12.734 6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.169 -12.459 6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.062 -10.711 6.805 1.00 0.00 H new ATOM 0 HE ARG A 39 3.085 -11.419 8.635 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.554 -11.973 8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.830 -12.056 10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.448 -11.525 10.872 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.079 -11.804 11.489 1.00 0.00 H new ATOM 587 N LEU A 40 1.849 -9.318 3.453 1.00 0.00 N ATOM 588 CA LEU A 40 0.924 -8.200 3.601 1.00 0.00 C ATOM 589 C LEU A 40 -0.381 -8.471 2.861 1.00 0.00 C ATOM 590 O LEU A 40 -1.467 -8.210 3.380 1.00 0.00 O ATOM 591 CB LEU A 40 1.563 -6.912 3.078 1.00 0.00 C ATOM 592 CG LEU A 40 2.763 -6.389 3.868 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.567 -5.406 3.030 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.306 -5.737 5.165 1.00 0.00 C ATOM 0 H LEU A 40 2.740 -9.074 3.021 1.00 0.00 H new ATOM 0 HA LEU A 40 0.700 -8.083 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.877 -7.078 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.800 -6.134 3.058 1.00 0.00 H new ATOM 0 HG LEU A 40 3.405 -7.234 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.417 -5.044 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.927 -5.904 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.934 -4.564 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.174 -5.371 5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.642 -4.903 4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.775 -6.469 5.773 1.00 0.00 H new ATOM 606 N ARG A 41 -0.268 -8.997 1.646 1.00 0.00 N ATOM 607 CA ARG A 41 -1.439 -9.305 0.834 1.00 0.00 C ATOM 608 C ARG A 41 -2.525 -9.968 1.676 1.00 0.00 C ATOM 609 O ARG A 41 -3.710 -9.896 1.349 1.00 0.00 O ATOM 610 CB ARG A 41 -1.053 -10.218 -0.331 1.00 0.00 C ATOM 611 CG ARG A 41 -0.574 -9.466 -1.561 1.00 0.00 C ATOM 612 CD ARG A 41 -0.894 -10.225 -2.839 1.00 0.00 C ATOM 613 NE ARG A 41 -0.139 -11.472 -2.939 1.00 0.00 N ATOM 614 CZ ARG A 41 -0.213 -12.294 -3.979 1.00 0.00 C ATOM 615 NH1 ARG A 41 -1.003 -12.004 -5.003 1.00 0.00 N ATOM 616 NH2 ARG A 41 0.505 -13.410 -3.996 1.00 0.00 N ATOM 0 H ARG A 41 0.623 -9.219 1.202 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.832 -8.369 0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.268 -10.899 -0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.913 -10.830 -0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.044 -8.483 -1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.502 -9.303 -1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.961 -10.444 -2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.670 -9.596 -3.700 1.00 0.00 H new ATOM 0 HE ARG A 41 0.479 -11.725 -2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.556 -11.147 -4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.058 -12.638 -5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.114 -13.637 -3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.448 -14.041 -4.795 1.00 0.00 H new ATOM 630 N SER A 42 -2.113 -10.615 2.762 1.00 0.00 N ATOM 631 CA SER A 42 -3.049 -11.295 3.649 1.00 0.00 C ATOM 632 C SER A 42 -3.818 -10.290 4.501 1.00 0.00 C ATOM 633 O SER A 42 -5.047 -10.241 4.465 1.00 0.00 O ATOM 634 CB SER A 42 -2.306 -12.282 4.550 1.00 0.00 C ATOM 635 OG SER A 42 -1.768 -13.355 3.797 1.00 0.00 O ATOM 0 H SER A 42 -1.136 -10.682 3.049 1.00 0.00 H new ATOM 0 HA SER A 42 -3.762 -11.843 3.033 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.504 -11.765 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.986 -12.671 5.308 1.00 0.00 H new ATOM 0 HG SER A 42 -1.297 -13.971 4.396 1.00 0.00 H new ATOM 641 N GLU A 43 -3.083 -9.490 5.268 1.00 0.00 N ATOM 642 CA GLU A 43 -3.696 -8.486 6.130 1.00 0.00 C ATOM 643 C GLU A 43 -4.434 -7.436 5.305 1.00 0.00 C ATOM 644 O GLU A 43 -5.554 -7.045 5.633 1.00 0.00 O ATOM 645 CB GLU A 43 -2.632 -7.812 7.000 1.00 0.00 C ATOM 646 CG GLU A 43 -1.825 -8.787 7.840 1.00 0.00 C ATOM 647 CD GLU A 43 -1.255 -8.146 9.091 1.00 0.00 C ATOM 648 OE1 GLU A 43 -0.629 -7.072 8.976 1.00 0.00 O ATOM 649 OE2 GLU A 43 -1.436 -8.720 10.186 1.00 0.00 O ATOM 0 H GLU A 43 -2.064 -9.518 5.310 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.418 -8.989 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.953 -7.250 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.117 -7.092 7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.458 -9.628 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.010 -9.190 7.239 1.00 0.00 H new ATOM 656 N THR A 44 -3.797 -6.982 4.230 1.00 0.00 N ATOM 657 CA THR A 44 -4.390 -5.977 3.357 1.00 0.00 C ATOM 658 C THR A 44 -5.428 -6.598 2.429 1.00 0.00 C ATOM 659 O THR A 44 -6.322 -5.912 1.933 1.00 0.00 O ATOM 660 CB THR A 44 -3.319 -5.266 2.509 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.521 -6.232 1.817 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.427 -4.396 3.382 1.00 0.00 C ATOM 0 H THR A 44 -2.870 -7.295 3.943 1.00 0.00 H new ATOM 0 HA THR A 44 -4.876 -5.245 4.003 1.00 0.00 H new ATOM 0 HB THR A 44 -3.826 -4.628 1.785 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.071 -6.811 2.467 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.678 -3.904 2.761 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.033 -3.643 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.929 -5.017 4.127 1.00 0.00 H new ATOM 670 N LYS A 45 -5.303 -7.900 2.197 1.00 0.00 N ATOM 671 CA LYS A 45 -6.230 -8.616 1.329 1.00 0.00 C ATOM 672 C LYS A 45 -6.255 -8.000 -0.067 1.00 0.00 C ATOM 673 O LYS A 45 -7.306 -7.919 -0.701 1.00 0.00 O ATOM 674 CB LYS A 45 -7.638 -8.600 1.929 1.00 0.00 C ATOM 675 CG LYS A 45 -7.856 -9.659 2.996 1.00 0.00 C ATOM 676 CD LYS A 45 -7.443 -9.159 4.370 1.00 0.00 C ATOM 677 CE LYS A 45 -8.529 -8.302 5.001 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.596 -9.130 5.629 1.00 0.00 N ATOM 0 H LYS A 45 -4.568 -8.482 2.599 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.888 -9.648 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.829 -7.617 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.366 -8.745 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.907 -9.948 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.284 -10.552 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.226 -10.009 5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.524 -8.580 4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.085 -7.650 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.970 -7.657 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.317 -8.508 6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.037 -9.734 4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.180 -9.727 6.372 1.00 0.00 H new ATOM 692 N MET A 46 -5.089 -7.570 -0.539 1.00 0.00 N ATOM 693 CA MET A 46 -4.978 -6.964 -1.861 1.00 0.00 C ATOM 694 C MET A 46 -3.932 -7.688 -2.704 1.00 0.00 C ATOM 695 O MET A 46 -3.180 -8.521 -2.198 1.00 0.00 O ATOM 696 CB MET A 46 -4.615 -5.483 -1.738 1.00 0.00 C ATOM 697 CG MET A 46 -5.609 -4.680 -0.915 1.00 0.00 C ATOM 698 SD MET A 46 -5.624 -2.932 -1.355 1.00 0.00 S ATOM 699 CE MET A 46 -3.932 -2.475 -0.986 1.00 0.00 C ATOM 0 H MET A 46 -4.209 -7.630 -0.027 1.00 0.00 H new ATOM 0 HA MET A 46 -5.945 -7.053 -2.357 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.627 -5.396 -1.286 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.548 -5.050 -2.736 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.608 -5.094 -1.054 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.366 -4.782 0.143 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.820 -1.394 -1.071 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.684 -2.787 0.028 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.261 -2.965 -1.691 1.00 0.00 H new ATOM 709 N THR A 47 -3.890 -7.364 -3.993 1.00 0.00 N ATOM 710 CA THR A 47 -2.938 -7.984 -4.905 1.00 0.00 C ATOM 711 C THR A 47 -1.655 -7.167 -5.000 1.00 0.00 C ATOM 712 O THR A 47 -1.641 -5.977 -4.686 1.00 0.00 O ATOM 713 CB THR A 47 -3.535 -8.145 -6.316 1.00 0.00 C ATOM 714 OG1 THR A 47 -4.261 -6.965 -6.678 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.458 -9.353 -6.378 1.00 0.00 C ATOM 0 H THR A 47 -4.504 -6.676 -4.428 1.00 0.00 H new ATOM 0 HA THR A 47 -2.709 -8.970 -4.500 1.00 0.00 H new ATOM 0 HB THR A 47 -2.715 -8.297 -7.018 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.636 -7.074 -7.577 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.868 -9.447 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.896 -10.253 -6.130 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.272 -9.226 -5.665 1.00 0.00 H new ATOM 723 N ARG A 48 -0.577 -7.814 -5.433 1.00 0.00 N ATOM 724 CA ARG A 48 0.712 -7.146 -5.568 1.00 0.00 C ATOM 725 C ARG A 48 0.549 -5.778 -6.223 1.00 0.00 C ATOM 726 O ARG A 48 0.980 -4.762 -5.677 1.00 0.00 O ATOM 727 CB ARG A 48 1.672 -8.007 -6.392 1.00 0.00 C ATOM 728 CG ARG A 48 2.498 -8.970 -5.554 1.00 0.00 C ATOM 729 CD ARG A 48 1.616 -9.824 -4.656 1.00 0.00 C ATOM 730 NE ARG A 48 2.261 -11.084 -4.295 1.00 0.00 N ATOM 731 CZ ARG A 48 2.525 -12.050 -5.167 1.00 0.00 C ATOM 732 NH1 ARG A 48 2.203 -11.901 -6.445 1.00 0.00 N ATOM 733 NH2 ARG A 48 3.114 -13.168 -4.762 1.00 0.00 N ATOM 0 H ARG A 48 -0.571 -8.799 -5.696 1.00 0.00 H new ATOM 0 HA ARG A 48 1.127 -7.005 -4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.099 -8.575 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.344 -7.355 -6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.084 -9.614 -6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.205 -8.409 -4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.374 -9.268 -3.750 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.674 -10.031 -5.164 1.00 0.00 H new ATOM 0 HE ARG A 48 2.523 -11.230 -3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.751 -11.043 -6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.407 -12.645 -7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.364 -13.286 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.316 -13.910 -5.432 1.00 0.00 H new ATOM 747 N ARG A 49 -0.075 -5.759 -7.396 1.00 0.00 N ATOM 748 CA ARG A 49 -0.292 -4.516 -8.126 1.00 0.00 C ATOM 749 C ARG A 49 -0.988 -3.483 -7.245 1.00 0.00 C ATOM 750 O ARG A 49 -0.626 -2.307 -7.248 1.00 0.00 O ATOM 751 CB ARG A 49 -1.127 -4.776 -9.382 1.00 0.00 C ATOM 752 CG ARG A 49 -2.519 -5.309 -9.087 1.00 0.00 C ATOM 753 CD ARG A 49 -3.371 -5.366 -10.346 1.00 0.00 C ATOM 754 NE ARG A 49 -3.136 -6.587 -11.111 1.00 0.00 N ATOM 755 CZ ARG A 49 -3.739 -6.860 -12.263 1.00 0.00 C ATOM 756 NH1 ARG A 49 -4.609 -6.003 -12.779 1.00 0.00 N ATOM 757 NH2 ARG A 49 -3.472 -7.993 -12.901 1.00 0.00 N ATOM 0 H ARG A 49 -0.439 -6.590 -7.861 1.00 0.00 H new ATOM 0 HA ARG A 49 0.681 -4.122 -8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.214 -3.849 -9.948 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.601 -5.489 -10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.444 -6.305 -8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.004 -4.673 -8.346 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.425 -5.306 -10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.153 -4.499 -10.970 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.473 -7.268 -10.741 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.817 -5.132 -12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.070 -6.215 -13.664 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.803 -8.655 -12.507 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.935 -8.202 -13.785 1.00 0.00 H new ATOM 771 N GLU A 50 -1.988 -3.931 -6.493 1.00 0.00 N ATOM 772 CA GLU A 50 -2.735 -3.045 -5.608 1.00 0.00 C ATOM 773 C GLU A 50 -1.814 -2.412 -4.568 1.00 0.00 C ATOM 774 O GLU A 50 -1.659 -1.191 -4.522 1.00 0.00 O ATOM 775 CB GLU A 50 -3.859 -3.813 -4.910 1.00 0.00 C ATOM 776 CG GLU A 50 -5.141 -3.888 -5.722 1.00 0.00 C ATOM 777 CD GLU A 50 -6.355 -4.200 -4.869 1.00 0.00 C ATOM 778 OE1 GLU A 50 -6.309 -5.192 -4.112 1.00 0.00 O ATOM 779 OE2 GLU A 50 -7.350 -3.452 -4.959 1.00 0.00 O ATOM 0 H GLU A 50 -2.300 -4.902 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.170 -2.251 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.516 -4.825 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.073 -3.337 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.297 -2.940 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.035 -4.654 -6.491 1.00 0.00 H new ATOM 786 N ILE A 51 -1.207 -3.251 -3.735 1.00 0.00 N ATOM 787 CA ILE A 51 -0.302 -2.775 -2.697 1.00 0.00 C ATOM 788 C ILE A 51 0.811 -1.917 -3.289 1.00 0.00 C ATOM 789 O ILE A 51 1.031 -0.784 -2.860 1.00 0.00 O ATOM 790 CB ILE A 51 0.326 -3.945 -1.918 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.762 -4.770 -1.229 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.329 -3.425 -0.898 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.297 -6.143 -0.796 1.00 0.00 C ATOM 0 H ILE A 51 -1.326 -4.264 -3.759 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.897 -2.171 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 51 0.853 -4.589 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.122 -4.225 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.608 -4.879 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.764 -4.264 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.118 -2.876 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.823 -2.762 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.120 -6.671 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.035 -6.706 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.529 -6.042 -0.093 1.00 0.00 H new ATOM 805 N ASP A 52 1.509 -2.464 -4.278 1.00 0.00 N ATOM 806 CA ASP A 52 2.599 -1.748 -4.932 1.00 0.00 C ATOM 807 C ASP A 52 2.204 -0.303 -5.218 1.00 0.00 C ATOM 808 O ASP A 52 2.959 0.626 -4.929 1.00 0.00 O ATOM 809 CB ASP A 52 2.990 -2.450 -6.233 1.00 0.00 C ATOM 810 CG ASP A 52 4.389 -2.085 -6.690 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.327 -2.188 -5.871 1.00 0.00 O ATOM 812 OD2 ASP A 52 4.546 -1.697 -7.866 1.00 0.00 O ATOM 0 H ASP A 52 1.340 -3.401 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 52 3.456 -1.745 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.926 -3.529 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.276 -2.187 -7.013 1.00 0.00 H new ATOM 817 N SER A 53 1.018 -0.120 -5.789 1.00 0.00 N ATOM 818 CA SER A 53 0.525 1.212 -6.119 1.00 0.00 C ATOM 819 C SER A 53 0.474 2.096 -4.877 1.00 0.00 C ATOM 820 O SER A 53 0.825 3.274 -4.925 1.00 0.00 O ATOM 821 CB SER A 53 -0.865 1.122 -6.753 1.00 0.00 C ATOM 822 OG SER A 53 -1.360 2.409 -7.081 1.00 0.00 O ATOM 0 H SER A 53 0.380 -0.878 -6.033 1.00 0.00 H new ATOM 0 HA SER A 53 1.214 1.661 -6.834 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.819 0.507 -7.652 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.551 0.630 -6.064 1.00 0.00 H new ATOM 0 HG SER A 53 -2.248 2.324 -7.486 1.00 0.00 H new ATOM 828 N TRP A 54 0.033 1.517 -3.765 1.00 0.00 N ATOM 829 CA TRP A 54 -0.065 2.252 -2.509 1.00 0.00 C ATOM 830 C TRP A 54 1.263 2.918 -2.163 1.00 0.00 C ATOM 831 O TRP A 54 1.372 4.144 -2.165 1.00 0.00 O ATOM 832 CB TRP A 54 -0.489 1.314 -1.378 1.00 0.00 C ATOM 833 CG TRP A 54 -0.670 2.011 -0.064 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.796 2.644 0.379 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.305 2.149 0.976 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.580 3.166 1.632 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.299 2.875 2.020 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.628 1.727 1.127 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.377 3.188 3.196 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.298 2.038 2.294 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.671 2.763 3.317 1.00 0.00 C ATOM 0 H TRP A 54 -0.262 0.542 -3.708 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.819 3.029 -2.629 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.423 0.824 -1.653 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.260 0.531 -1.265 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.720 2.723 -0.174 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.263 3.686 2.183 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.119 1.167 0.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.104 3.747 3.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.322 1.717 2.421 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.221 2.990 4.218 1.00 0.00 H new ATOM 852 N PHE A 55 2.269 2.102 -1.866 1.00 0.00 N ATOM 853 CA PHE A 55 3.590 2.614 -1.517 1.00 0.00 C ATOM 854 C PHE A 55 4.000 3.746 -2.454 1.00 0.00 C ATOM 855 O PHE A 55 4.282 4.860 -2.013 1.00 0.00 O ATOM 856 CB PHE A 55 4.626 1.490 -1.573 1.00 0.00 C ATOM 857 CG PHE A 55 4.567 0.561 -0.394 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.057 0.955 0.841 1.00 0.00 C ATOM 859 CD2 PHE A 55 4.023 -0.707 -0.521 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.004 0.103 1.928 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.967 -1.564 0.562 1.00 0.00 C ATOM 862 CZ PHE A 55 4.459 -1.159 1.788 1.00 0.00 C ATOM 0 H PHE A 55 2.195 1.085 -1.860 1.00 0.00 H new ATOM 0 HA PHE A 55 3.544 3.006 -0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.477 0.915 -2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.623 1.928 -1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.485 1.940 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.638 -1.029 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.388 0.423 2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.539 -2.549 0.450 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.418 -1.828 2.635 1.00 0.00 H new ATOM 872 N SER A 56 4.031 3.452 -3.750 1.00 0.00 N ATOM 873 CA SER A 56 4.410 4.443 -4.750 1.00 0.00 C ATOM 874 C SER A 56 3.625 5.737 -4.558 1.00 0.00 C ATOM 875 O SER A 56 4.090 6.817 -4.920 1.00 0.00 O ATOM 876 CB SER A 56 4.174 3.894 -6.158 1.00 0.00 C ATOM 877 OG SER A 56 4.834 4.684 -7.131 1.00 0.00 O ATOM 0 H SER A 56 3.798 2.535 -4.132 1.00 0.00 H new ATOM 0 HA SER A 56 5.471 4.661 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.532 2.866 -6.216 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.105 3.871 -6.368 1.00 0.00 H new ATOM 0 HG SER A 56 4.669 4.311 -8.022 1.00 0.00 H new ATOM 883 N GLU A 57 2.431 5.617 -3.985 1.00 0.00 N ATOM 884 CA GLU A 57 1.580 6.777 -3.746 1.00 0.00 C ATOM 885 C GLU A 57 1.736 7.280 -2.314 1.00 0.00 C ATOM 886 O GLU A 57 1.365 8.410 -1.997 1.00 0.00 O ATOM 887 CB GLU A 57 0.116 6.428 -4.019 1.00 0.00 C ATOM 888 CG GLU A 57 -0.296 6.622 -5.468 1.00 0.00 C ATOM 889 CD GLU A 57 -1.767 6.962 -5.617 1.00 0.00 C ATOM 890 OE1 GLU A 57 -2.111 8.158 -5.514 1.00 0.00 O ATOM 891 OE2 GLU A 57 -2.572 6.033 -5.835 1.00 0.00 O ATOM 0 H GLU A 57 2.032 4.730 -3.678 1.00 0.00 H new ATOM 0 HA GLU A 57 1.890 7.570 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.060 5.390 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.520 7.044 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.303 7.419 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.079 5.713 -6.028 1.00 0.00 H new ATOM 898 N ARG A 58 2.288 6.432 -1.452 1.00 0.00 N ATOM 899 CA ARG A 58 2.492 6.789 -0.053 1.00 0.00 C ATOM 900 C ARG A 58 3.870 7.409 0.154 1.00 0.00 C ATOM 901 O ARG A 58 3.987 8.576 0.530 1.00 0.00 O ATOM 902 CB ARG A 58 2.337 5.555 0.838 1.00 0.00 C ATOM 903 CG ARG A 58 2.604 5.828 2.309 1.00 0.00 C ATOM 904 CD ARG A 58 1.597 6.812 2.884 1.00 0.00 C ATOM 905 NE ARG A 58 1.998 7.298 4.201 1.00 0.00 N ATOM 906 CZ ARG A 58 1.208 8.017 4.992 1.00 0.00 C ATOM 907 NH1 ARG A 58 -0.019 8.330 4.600 1.00 0.00 N ATOM 908 NH2 ARG A 58 1.645 8.423 6.177 1.00 0.00 N ATOM 0 H ARG A 58 2.602 5.493 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 58 1.736 7.525 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.326 5.163 0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.020 4.779 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.561 4.893 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.612 6.225 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.487 7.657 2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.621 6.332 2.956 1.00 0.00 H new ATOM 0 HE ARG A 58 2.936 7.073 4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.359 8.019 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.624 8.882 5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.588 8.183 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.038 8.975 6.783 1.00 0.00 H new ATOM 922 N ARG A 59 4.912 6.621 -0.093 1.00 0.00 N ATOM 923 CA ARG A 59 6.282 7.093 0.069 1.00 0.00 C ATOM 924 C ARG A 59 6.466 8.461 -0.582 1.00 0.00 C ATOM 925 O ARG A 59 7.313 9.251 -0.163 1.00 0.00 O ATOM 926 CB ARG A 59 7.264 6.090 -0.541 1.00 0.00 C ATOM 927 CG ARG A 59 7.362 6.177 -2.055 1.00 0.00 C ATOM 928 CD ARG A 59 8.495 5.315 -2.590 1.00 0.00 C ATOM 929 NE ARG A 59 9.797 5.955 -2.420 1.00 0.00 N ATOM 930 CZ ARG A 59 10.188 7.020 -3.111 1.00 0.00 C ATOM 931 NH1 ARG A 59 9.382 7.562 -4.013 1.00 0.00 N ATOM 932 NH2 ARG A 59 11.388 7.545 -2.899 1.00 0.00 N ATOM 0 H ARG A 59 4.833 5.653 -0.406 1.00 0.00 H new ATOM 0 HA ARG A 59 6.484 7.187 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.252 6.255 -0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.960 5.081 -0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.420 5.859 -2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.521 7.214 -2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.493 4.354 -2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.327 5.111 -3.647 1.00 0.00 H new ATOM 0 HE ARG A 59 10.441 5.563 -1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.459 7.161 -4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.685 8.380 -4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.011 7.131 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.688 8.363 -3.430 1.00 0.00 H new ATOM 946 N LYS A 60 5.668 8.735 -1.608 1.00 0.00 N ATOM 947 CA LYS A 60 5.742 10.007 -2.317 1.00 0.00 C ATOM 948 C LYS A 60 5.078 11.118 -1.510 1.00 0.00 C ATOM 949 O LYS A 60 5.526 12.265 -1.528 1.00 0.00 O ATOM 950 CB LYS A 60 5.073 9.889 -3.688 1.00 0.00 C ATOM 951 CG LYS A 60 3.623 9.443 -3.622 1.00 0.00 C ATOM 952 CD LYS A 60 2.678 10.630 -3.533 1.00 0.00 C ATOM 953 CE LYS A 60 2.316 11.159 -4.912 1.00 0.00 C ATOM 954 NZ LYS A 60 1.307 10.298 -5.590 1.00 0.00 N ATOM 0 H LYS A 60 4.962 8.093 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 60 6.794 10.259 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.125 10.854 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.635 9.181 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.383 8.851 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.479 8.797 -2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.771 10.335 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.143 11.424 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.926 12.173 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.215 11.217 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.012 10.745 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.724 9.367 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.479 10.180 -4.971 1.00 0.00 H new ATOM 968 N LYS A 61 4.010 10.771 -0.801 1.00 0.00 N ATOM 969 CA LYS A 61 3.286 11.738 0.016 1.00 0.00 C ATOM 970 C LYS A 61 4.213 12.392 1.035 1.00 0.00 C ATOM 971 O LYS A 61 4.011 13.543 1.425 1.00 0.00 O ATOM 972 CB LYS A 61 2.119 11.058 0.735 1.00 0.00 C ATOM 973 CG LYS A 61 0.947 11.985 1.006 1.00 0.00 C ATOM 974 CD LYS A 61 -0.288 11.212 1.436 1.00 0.00 C ATOM 975 CE LYS A 61 -1.461 12.141 1.708 1.00 0.00 C ATOM 976 NZ LYS A 61 -1.227 12.993 2.907 1.00 0.00 N ATOM 0 H LYS A 61 3.626 9.826 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 61 2.896 12.513 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.774 10.216 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.475 10.650 1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.219 12.699 1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.722 12.561 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.561 10.498 0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.063 10.636 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.630 12.776 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.366 11.551 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.102 13.499 3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.940 12.394 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.474 13.681 2.702 1.00 0.00 H new ATOM 990 N VAL A 62 5.231 11.652 1.463 1.00 0.00 N ATOM 991 CA VAL A 62 6.191 12.161 2.435 1.00 0.00 C ATOM 992 C VAL A 62 7.266 13.002 1.757 1.00 0.00 C ATOM 993 O VAL A 62 7.815 13.926 2.356 1.00 0.00 O ATOM 994 CB VAL A 62 6.866 11.014 3.211 1.00 0.00 C ATOM 995 CG1 VAL A 62 7.877 11.564 4.204 1.00 0.00 C ATOM 996 CG2 VAL A 62 5.821 10.162 3.917 1.00 0.00 C ATOM 0 H VAL A 62 5.412 10.698 1.152 1.00 0.00 H new ATOM 0 HA VAL A 62 5.633 12.784 3.134 1.00 0.00 H new ATOM 0 HB VAL A 62 7.398 10.381 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.344 10.739 4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.642 12.128 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.371 12.220 4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.315 9.356 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.259 10.781 4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.139 9.738 3.180 1.00 0.00 H new ATOM 1006 N ASN A 63 7.561 12.677 0.503 1.00 0.00 N ATOM 1007 CA ASN A 63 8.571 13.403 -0.258 1.00 0.00 C ATOM 1008 C ASN A 63 8.034 14.752 -0.726 1.00 0.00 C ATOM 1009 O ASN A 63 8.780 15.725 -0.834 1.00 0.00 O ATOM 1010 CB ASN A 63 9.024 12.576 -1.463 1.00 0.00 C ATOM 1011 CG ASN A 63 10.154 13.239 -2.227 1.00 0.00 C ATOM 1012 OD1 ASN A 63 10.027 14.375 -2.684 1.00 0.00 O ATOM 1013 ND2 ASN A 63 11.268 12.530 -2.370 1.00 0.00 N ATOM 0 H ASN A 63 7.115 11.915 -0.008 1.00 0.00 H new ATOM 0 HA ASN A 63 9.426 13.579 0.395 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.347 11.592 -1.124 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.178 12.421 -2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.062 12.924 -2.875 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.330 11.592 -1.975 1.00 0.00 H new ATOM 1020 N ALA A 64 6.735 14.802 -1.002 1.00 0.00 N ATOM 1021 CA ALA A 64 6.097 16.032 -1.456 1.00 0.00 C ATOM 1022 C ALA A 64 5.400 16.746 -0.303 1.00 0.00 C ATOM 1023 O ALA A 64 4.292 17.257 -0.457 1.00 0.00 O ATOM 1024 CB ALA A 64 5.105 15.732 -2.570 1.00 0.00 C ATOM 0 H ALA A 64 6.104 14.005 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 64 6.872 16.693 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.636 16.659 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.628 15.272 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.339 15.049 -2.201 1.00 0.00 H new ATOM 1030 N GLU A 65 6.058 16.777 0.852 1.00 0.00 N ATOM 1031 CA GLU A 65 5.499 17.429 2.031 1.00 0.00 C ATOM 1032 C GLU A 65 5.946 18.886 2.111 1.00 0.00 C ATOM 1033 O GLU A 65 7.119 19.197 1.912 1.00 0.00 O ATOM 1034 CB GLU A 65 5.920 16.684 3.300 1.00 0.00 C ATOM 1035 CG GLU A 65 4.941 16.841 4.451 1.00 0.00 C ATOM 1036 CD GLU A 65 5.609 16.712 5.807 1.00 0.00 C ATOM 1037 OE1 GLU A 65 6.682 17.321 5.999 1.00 0.00 O ATOM 1038 OE2 GLU A 65 5.058 16.002 6.674 1.00 0.00 O ATOM 0 H GLU A 65 6.977 16.359 0.996 1.00 0.00 H new ATOM 0 HA GLU A 65 4.412 17.405 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.030 15.624 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.899 17.045 3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.456 17.815 4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.158 16.088 4.363 1.00 0.00 H new ATOM 1045 N GLU A 66 5.000 19.773 2.403 1.00 0.00 N ATOM 1046 CA GLU A 66 5.296 21.197 2.508 1.00 0.00 C ATOM 1047 C GLU A 66 5.997 21.701 1.250 1.00 0.00 C ATOM 1048 O GLU A 66 6.914 22.519 1.321 1.00 0.00 O ATOM 1049 CB GLU A 66 6.168 21.471 3.735 1.00 0.00 C ATOM 1050 CG GLU A 66 5.388 21.513 5.038 1.00 0.00 C ATOM 1051 CD GLU A 66 6.068 22.359 6.098 1.00 0.00 C ATOM 1052 OE1 GLU A 66 6.928 21.820 6.825 1.00 0.00 O ATOM 1053 OE2 GLU A 66 5.741 23.560 6.199 1.00 0.00 O ATOM 0 H GLU A 66 4.023 19.531 2.571 1.00 0.00 H new ATOM 0 HA GLU A 66 4.352 21.731 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.935 20.700 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.684 22.422 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.390 21.909 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.262 20.498 5.414 1.00 0.00 H new ATOM 1060 N THR A 67 5.558 21.206 0.096 1.00 0.00 N ATOM 1061 CA THR A 67 6.144 21.603 -1.178 1.00 0.00 C ATOM 1062 C THR A 67 5.802 23.050 -1.512 1.00 0.00 C ATOM 1063 O THR A 67 4.645 23.463 -1.423 1.00 0.00 O ATOM 1064 CB THR A 67 5.661 20.695 -2.325 1.00 0.00 C ATOM 1065 OG1 THR A 67 5.997 19.332 -2.045 1.00 0.00 O ATOM 1066 CG2 THR A 67 6.286 21.116 -3.647 1.00 0.00 C ATOM 0 H THR A 67 4.799 20.530 0.018 1.00 0.00 H new ATOM 0 HA THR A 67 7.224 21.502 -1.075 1.00 0.00 H new ATOM 0 HB THR A 67 4.578 20.792 -2.406 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.685 18.761 -2.778 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.931 20.461 -4.442 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.004 22.145 -3.871 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.371 21.044 -3.576 1.00 0.00 H new ATOM 1074 N LYS A 68 6.815 23.819 -1.899 1.00 0.00 N ATOM 1075 CA LYS A 68 6.622 25.221 -2.249 1.00 0.00 C ATOM 1076 C LYS A 68 5.381 25.399 -3.117 1.00 0.00 C ATOM 1077 O LYS A 68 5.353 24.977 -4.273 1.00 0.00 O ATOM 1078 CB LYS A 68 7.852 25.758 -2.983 1.00 0.00 C ATOM 1079 CG LYS A 68 9.026 26.055 -2.066 1.00 0.00 C ATOM 1080 CD LYS A 68 8.786 27.308 -1.241 1.00 0.00 C ATOM 1081 CE LYS A 68 8.919 28.566 -2.086 1.00 0.00 C ATOM 1082 NZ LYS A 68 7.661 28.876 -2.820 1.00 0.00 N ATOM 0 H LYS A 68 7.779 23.494 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 68 6.482 25.784 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.163 25.031 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.578 26.669 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.193 25.207 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.931 26.178 -2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.790 27.269 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.499 27.345 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.183 29.408 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.734 28.440 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.764 28.599 -3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.872 28.350 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.468 29.896 -2.762 1.00 0.00 H new ATOM 1096 N LYS A 69 4.355 26.028 -2.553 1.00 0.00 N ATOM 1097 CA LYS A 69 3.111 26.266 -3.276 1.00 0.00 C ATOM 1098 C LYS A 69 2.162 27.133 -2.456 1.00 0.00 C ATOM 1099 O LYS A 69 1.832 26.802 -1.317 1.00 0.00 O ATOM 1100 CB LYS A 69 2.436 24.936 -3.620 1.00 0.00 C ATOM 1101 CG LYS A 69 1.144 25.095 -4.403 1.00 0.00 C ATOM 1102 CD LYS A 69 0.766 23.811 -5.122 1.00 0.00 C ATOM 1103 CE LYS A 69 -0.107 22.921 -4.251 1.00 0.00 C ATOM 1104 NZ LYS A 69 0.703 22.098 -3.311 1.00 0.00 N ATOM 0 H LYS A 69 4.361 26.382 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 69 3.351 26.795 -4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.129 24.325 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.228 24.394 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.340 25.384 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.254 25.901 -5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.237 24.051 -6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.670 23.271 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.804 23.539 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.704 22.266 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.152 21.268 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.573 21.784 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.951 22.667 -2.476 1.00 0.00 H new ATOM 1118 N SER A 70 1.725 28.243 -3.042 1.00 0.00 N ATOM 1119 CA SER A 70 0.816 29.159 -2.364 1.00 0.00 C ATOM 1120 C SER A 70 -0.167 28.394 -1.481 1.00 0.00 C ATOM 1121 O SER A 70 -0.574 27.280 -1.808 1.00 0.00 O ATOM 1122 CB SER A 70 0.051 30.002 -3.386 1.00 0.00 C ATOM 1123 OG SER A 70 0.842 31.083 -3.849 1.00 0.00 O ATOM 0 H SER A 70 1.986 28.530 -3.985 1.00 0.00 H new ATOM 0 HA SER A 70 1.410 29.819 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.246 29.377 -4.228 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.865 30.384 -2.935 1.00 0.00 H new ATOM 0 HG SER A 70 0.332 31.606 -4.502 1.00 0.00 H new ATOM 1129 N GLY A 71 -0.543 29.002 -0.360 1.00 0.00 N ATOM 1130 CA GLY A 71 -1.474 28.366 0.553 1.00 0.00 C ATOM 1131 C GLY A 71 -0.791 27.826 1.794 1.00 0.00 C ATOM 1132 O GLY A 71 -0.449 26.646 1.877 1.00 0.00 O ATOM 0 H GLY A 71 -0.219 29.924 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.239 29.085 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.983 27.551 0.039 1.00 0.00 H new ATOM 1136 N PRO A 72 -0.582 28.702 2.787 1.00 0.00 N ATOM 1137 CA PRO A 72 0.067 28.330 4.048 1.00 0.00 C ATOM 1138 C PRO A 72 -0.807 27.419 4.903 1.00 0.00 C ATOM 1139 O PRO A 72 -1.731 27.880 5.573 1.00 0.00 O ATOM 1140 CB PRO A 72 0.283 29.674 4.747 1.00 0.00 C ATOM 1141 CG PRO A 72 -0.765 30.568 4.180 1.00 0.00 C ATOM 1142 CD PRO A 72 -0.964 30.124 2.757 1.00 0.00 C ATOM 0 HA PRO A 72 0.986 27.768 3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.180 29.579 5.828 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.283 30.064 4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.693 30.489 4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.453 31.611 4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.997 30.256 2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.341 30.693 2.067 1.00 0.00 H new ATOM 1150 N SER A 73 -0.509 26.124 4.876 1.00 0.00 N ATOM 1151 CA SER A 73 -1.270 25.148 5.647 1.00 0.00 C ATOM 1152 C SER A 73 -1.738 25.746 6.970 1.00 0.00 C ATOM 1153 O SER A 73 -1.073 26.608 7.544 1.00 0.00 O ATOM 1154 CB SER A 73 -0.423 23.901 5.909 1.00 0.00 C ATOM 1155 OG SER A 73 -1.095 23.001 6.773 1.00 0.00 O ATOM 0 H SER A 73 0.254 25.726 4.328 1.00 0.00 H new ATOM 0 HA SER A 73 -2.148 24.867 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.199 23.405 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.530 24.191 6.351 1.00 0.00 H new ATOM 0 HG SER A 73 -0.949 22.082 6.465 1.00 0.00 H new ATOM 1161 N SER A 74 -2.889 25.283 7.448 1.00 0.00 N ATOM 1162 CA SER A 74 -3.449 25.774 8.701 1.00 0.00 C ATOM 1163 C SER A 74 -4.178 24.659 9.444 1.00 0.00 C ATOM 1164 O SER A 74 -4.951 23.906 8.854 1.00 0.00 O ATOM 1165 CB SER A 74 -4.408 26.936 8.434 1.00 0.00 C ATOM 1166 OG SER A 74 -4.479 27.805 9.551 1.00 0.00 O ATOM 0 H SER A 74 -3.452 24.568 6.986 1.00 0.00 H new ATOM 0 HA SER A 74 -2.627 26.126 9.325 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.076 27.492 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.401 26.548 8.208 1.00 0.00 H new ATOM 0 HG SER A 74 -5.097 28.540 9.355 1.00 0.00 H new ATOM 1172 N GLY A 75 -3.924 24.559 10.746 1.00 0.00 N ATOM 1173 CA GLY A 75 -4.563 23.534 11.550 1.00 0.00 C ATOM 1174 C GLY A 75 -6.002 23.872 11.885 1.00 0.00 C ATOM 1175 O GLY A 75 -6.740 23.032 12.400 1.00 0.00 O ATOM 0 H GLY A 75 -3.287 25.170 11.258 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.531 22.585 11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.001 23.398 12.474 1.00 0.00 H new TER 1179 GLY A 75