USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 808 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -3.56! F(o=-5.7,f=-3.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 138:sc= -0.208 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 80:sc= -1.16! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -152:sc= -2.03 (180deg=-4.32!) USER MOD Single : A 71 CYS SG : rot -31:sc= -2.36 USER MOD Single : A 78 ASN : amide:sc= -0.86 K(o=-0.86,f=-5.8!) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0963 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 171:sc= 0.0115 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 92 GLN : amide:sc= -0.262 K(o=-0.26,f=-14!) USER MOD Single : A 97 LYS NZ :NH3+ 157:sc= -0.0887 (180deg=-0.648) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.185 17.931 21.492 1.00 0.00 N ATOM 2 CA GLY A 1 -0.316 19.021 20.541 1.00 0.00 C ATOM 3 C GLY A 1 -1.576 18.858 19.689 1.00 0.00 C ATOM 4 O GLY A 1 -1.758 17.833 19.034 1.00 0.00 O ATOM 0 H1 GLY A 1 0.677 18.065 22.057 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.013 17.918 22.121 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.126 17.028 20.979 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.354 19.971 21.074 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.562 19.053 19.896 1.00 0.00 H new ATOM 8 N SER A 2 -2.413 19.885 19.724 1.00 0.00 N ATOM 9 CA SER A 2 -3.650 19.868 18.963 1.00 0.00 C ATOM 10 C SER A 2 -3.449 20.573 17.621 1.00 0.00 C ATOM 11 O SER A 2 -3.258 21.788 17.576 1.00 0.00 O ATOM 12 CB SER A 2 -4.787 20.530 19.745 1.00 0.00 C ATOM 13 OG SER A 2 -5.507 19.590 20.538 1.00 0.00 O ATOM 0 H SER A 2 -2.258 20.734 20.268 1.00 0.00 H new ATOM 0 HA SER A 2 -3.926 18.829 18.782 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.379 21.310 20.388 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.471 21.016 19.049 1.00 0.00 H new ATOM 0 HG SER A 2 -6.223 20.051 21.023 1.00 0.00 H new ATOM 19 N SER A 3 -3.498 19.782 16.559 1.00 0.00 N ATOM 20 CA SER A 3 -3.323 20.316 15.219 1.00 0.00 C ATOM 21 C SER A 3 -4.622 20.967 14.742 1.00 0.00 C ATOM 22 O SER A 3 -4.645 22.155 14.423 1.00 0.00 O ATOM 23 CB SER A 3 -2.889 19.221 14.243 1.00 0.00 C ATOM 24 OG SER A 3 -1.630 18.657 14.599 1.00 0.00 O ATOM 0 H SER A 3 -3.656 18.775 16.599 1.00 0.00 H new ATOM 0 HA SER A 3 -2.536 21.070 15.251 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.645 18.436 14.220 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.829 19.635 13.237 1.00 0.00 H new ATOM 0 HG SER A 3 -1.389 17.961 13.953 1.00 0.00 H new ATOM 30 N GLY A 4 -5.674 20.162 14.708 1.00 0.00 N ATOM 31 CA GLY A 4 -6.974 20.645 14.275 1.00 0.00 C ATOM 32 C GLY A 4 -7.338 20.081 12.900 1.00 0.00 C ATOM 33 O GLY A 4 -7.873 18.978 12.800 1.00 0.00 O ATOM 0 H GLY A 4 -5.652 19.177 14.974 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.733 20.358 15.002 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.966 21.734 14.235 1.00 0.00 H new ATOM 37 N SER A 5 -7.035 20.864 11.875 1.00 0.00 N ATOM 38 CA SER A 5 -7.324 20.456 10.511 1.00 0.00 C ATOM 39 C SER A 5 -6.132 19.695 9.928 1.00 0.00 C ATOM 40 O SER A 5 -5.086 20.284 9.659 1.00 0.00 O ATOM 41 CB SER A 5 -7.662 21.664 9.635 1.00 0.00 C ATOM 42 OG SER A 5 -9.047 21.712 9.303 1.00 0.00 O ATOM 0 H SER A 5 -6.592 21.779 11.962 1.00 0.00 H new ATOM 0 HA SER A 5 -8.193 19.798 10.528 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.382 22.579 10.156 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.071 21.625 8.720 1.00 0.00 H new ATOM 0 HG SER A 5 -9.223 22.498 8.745 1.00 0.00 H new ATOM 48 N SER A 6 -6.329 18.397 9.750 1.00 0.00 N ATOM 49 CA SER A 6 -5.283 17.549 9.204 1.00 0.00 C ATOM 50 C SER A 6 -5.796 16.116 9.054 1.00 0.00 C ATOM 51 O SER A 6 -5.796 15.564 7.954 1.00 0.00 O ATOM 52 CB SER A 6 -4.034 17.576 10.088 1.00 0.00 C ATOM 53 OG SER A 6 -2.856 17.247 9.357 1.00 0.00 O ATOM 0 H SER A 6 -7.198 17.912 9.974 1.00 0.00 H new ATOM 0 HA SER A 6 -5.008 17.934 8.222 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.923 18.567 10.528 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.158 16.873 10.912 1.00 0.00 H new ATOM 0 HG SER A 6 -2.081 17.277 9.956 1.00 0.00 H new ATOM 59 N GLY A 7 -6.221 15.553 10.175 1.00 0.00 N ATOM 60 CA GLY A 7 -6.735 14.194 10.183 1.00 0.00 C ATOM 61 C GLY A 7 -6.408 13.491 11.501 1.00 0.00 C ATOM 62 O GLY A 7 -6.124 14.144 12.504 1.00 0.00 O ATOM 0 H GLY A 7 -6.220 16.014 11.085 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.815 14.209 10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.306 13.634 9.352 1.00 0.00 H new ATOM 66 N PHE A 8 -6.458 12.167 11.458 1.00 0.00 N ATOM 67 CA PHE A 8 -6.170 11.368 12.636 1.00 0.00 C ATOM 68 C PHE A 8 -4.812 10.676 12.511 1.00 0.00 C ATOM 69 O PHE A 8 -4.433 10.235 11.427 1.00 0.00 O ATOM 70 CB PHE A 8 -7.265 10.304 12.734 1.00 0.00 C ATOM 71 CG PHE A 8 -8.353 10.623 13.761 1.00 0.00 C ATOM 72 CD1 PHE A 8 -9.379 11.452 13.430 1.00 0.00 C ATOM 73 CD2 PHE A 8 -8.294 10.076 15.005 1.00 0.00 C ATOM 74 CE1 PHE A 8 -10.389 11.747 14.384 1.00 0.00 C ATOM 75 CE2 PHE A 8 -9.304 10.372 15.959 1.00 0.00 C ATOM 76 CZ PHE A 8 -10.330 11.201 15.628 1.00 0.00 C ATOM 0 H PHE A 8 -6.694 11.628 10.625 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.142 12.005 13.520 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.728 10.183 11.755 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.807 9.349 12.990 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.426 11.886 12.442 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.480 9.417 15.267 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.204 12.405 14.121 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.257 9.939 16.947 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.098 11.426 16.353 1.00 0.00 H new ATOM 86 N PHE A 9 -4.115 10.601 13.635 1.00 0.00 N ATOM 87 CA PHE A 9 -2.807 9.970 13.665 1.00 0.00 C ATOM 88 C PHE A 9 -2.934 8.445 13.681 1.00 0.00 C ATOM 89 O PHE A 9 -2.394 7.764 12.811 1.00 0.00 O ATOM 90 CB PHE A 9 -2.119 10.425 14.953 1.00 0.00 C ATOM 91 CG PHE A 9 -1.458 11.802 14.853 1.00 0.00 C ATOM 92 CD1 PHE A 9 -0.171 11.909 14.428 1.00 0.00 C ATOM 93 CD2 PHE A 9 -2.159 12.918 15.188 1.00 0.00 C ATOM 94 CE1 PHE A 9 0.442 13.186 14.335 1.00 0.00 C ATOM 95 CE2 PHE A 9 -1.546 14.196 15.095 1.00 0.00 C ATOM 96 CZ PHE A 9 -0.258 14.303 14.670 1.00 0.00 C ATOM 0 H PHE A 9 -4.432 10.967 14.533 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.239 10.252 12.779 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.854 10.444 15.758 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.363 9.690 15.228 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.385 11.022 14.161 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.182 12.833 15.525 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.465 13.271 13.998 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.102 15.083 15.362 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.208 15.274 14.599 1.00 0.00 H new ATOM 106 N LYS A 10 -3.652 7.953 14.680 1.00 0.00 N ATOM 107 CA LYS A 10 -3.857 6.522 14.820 1.00 0.00 C ATOM 108 C LYS A 10 -5.289 6.260 15.292 1.00 0.00 C ATOM 109 O LYS A 10 -6.080 5.649 14.576 1.00 0.00 O ATOM 110 CB LYS A 10 -2.789 5.914 15.732 1.00 0.00 C ATOM 111 CG LYS A 10 -1.630 5.344 14.913 1.00 0.00 C ATOM 112 CD LYS A 10 -0.824 4.333 15.732 1.00 0.00 C ATOM 113 CE LYS A 10 0.330 3.756 14.910 1.00 0.00 C ATOM 114 NZ LYS A 10 1.600 4.432 15.255 1.00 0.00 N ATOM 0 H LYS A 10 -4.099 8.520 15.400 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.742 6.025 13.857 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.415 6.674 16.418 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.231 5.125 16.341 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.017 4.863 14.014 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.978 6.154 14.586 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.432 4.815 16.627 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.477 3.526 16.065 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.418 2.686 15.097 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.123 3.878 13.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.373 4.029 14.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.518 5.449 15.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.803 4.294 16.266 1.00 0.00 H new ATOM 128 N GLY A 11 -5.579 6.737 16.494 1.00 0.00 N ATOM 129 CA GLY A 11 -6.902 6.562 17.069 1.00 0.00 C ATOM 130 C GLY A 11 -6.835 5.735 18.355 1.00 0.00 C ATOM 131 O GLY A 11 -7.003 6.269 19.450 1.00 0.00 O ATOM 0 H GLY A 11 -4.921 7.244 17.085 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.342 7.536 17.281 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.554 6.068 16.348 1.00 0.00 H new ATOM 135 N ALA A 12 -6.591 4.445 18.179 1.00 0.00 N ATOM 136 CA ALA A 12 -6.501 3.539 19.311 1.00 0.00 C ATOM 137 C ALA A 12 -6.061 2.158 18.820 1.00 0.00 C ATOM 138 O ALA A 12 -6.676 1.591 17.917 1.00 0.00 O ATOM 139 CB ALA A 12 -7.845 3.497 20.041 1.00 0.00 C ATOM 0 H ALA A 12 -6.453 4.005 17.269 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.754 3.889 20.024 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.777 2.817 20.890 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.098 4.496 20.396 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.619 3.148 19.358 1.00 0.00 H new ATOM 145 N ALA A 13 -5.001 1.656 19.436 1.00 0.00 N ATOM 146 CA ALA A 13 -4.472 0.352 19.073 1.00 0.00 C ATOM 147 C ALA A 13 -4.126 0.344 17.583 1.00 0.00 C ATOM 148 O ALA A 13 -4.532 1.239 16.842 1.00 0.00 O ATOM 149 CB ALA A 13 -5.487 -0.732 19.441 1.00 0.00 C ATOM 0 H ALA A 13 -4.494 2.129 20.184 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.556 0.142 19.626 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.090 -1.710 19.169 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.677 -0.704 20.514 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.418 -0.556 18.903 1.00 0.00 H new ATOM 155 N SER A 14 -3.378 -0.676 17.187 1.00 0.00 N ATOM 156 CA SER A 14 -2.973 -0.812 15.798 1.00 0.00 C ATOM 157 C SER A 14 -4.192 -0.692 14.883 1.00 0.00 C ATOM 158 O SER A 14 -4.238 0.180 14.016 1.00 0.00 O ATOM 159 CB SER A 14 -2.260 -2.145 15.561 1.00 0.00 C ATOM 160 OG SER A 14 -1.133 -2.308 16.417 1.00 0.00 O ATOM 0 H SER A 14 -3.042 -1.416 17.804 1.00 0.00 H new ATOM 0 HA SER A 14 -2.273 -0.010 15.566 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.960 -2.964 15.724 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.937 -2.203 14.522 1.00 0.00 H new ATOM 0 HG SER A 14 -0.707 -3.172 16.236 1.00 0.00 H new ATOM 166 N SER A 15 -5.150 -1.579 15.106 1.00 0.00 N ATOM 167 CA SER A 15 -6.367 -1.583 14.312 1.00 0.00 C ATOM 168 C SER A 15 -6.024 -1.750 12.831 1.00 0.00 C ATOM 169 O SER A 15 -4.863 -1.639 12.442 1.00 0.00 O ATOM 170 CB SER A 15 -7.171 -0.299 14.529 1.00 0.00 C ATOM 171 OG SER A 15 -8.564 -0.560 14.674 1.00 0.00 O ATOM 0 H SER A 15 -5.108 -2.301 15.826 1.00 0.00 H new ATOM 0 HA SER A 15 -6.982 -2.423 14.633 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.804 0.213 15.418 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.014 0.374 13.686 1.00 0.00 H new ATOM 0 HG SER A 15 -9.042 0.284 14.812 1.00 0.00 H new ATOM 177 N VAL A 16 -7.057 -2.016 12.044 1.00 0.00 N ATOM 178 CA VAL A 16 -6.879 -2.200 10.613 1.00 0.00 C ATOM 179 C VAL A 16 -7.990 -1.458 9.866 1.00 0.00 C ATOM 180 O VAL A 16 -9.108 -1.343 10.365 1.00 0.00 O ATOM 181 CB VAL A 16 -6.828 -3.692 10.280 1.00 0.00 C ATOM 182 CG1 VAL A 16 -6.869 -3.918 8.767 1.00 0.00 C ATOM 183 CG2 VAL A 16 -5.594 -4.351 10.899 1.00 0.00 C ATOM 0 H VAL A 16 -8.019 -2.108 12.370 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.929 -1.776 10.288 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.711 -4.162 10.713 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.831 -4.987 8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.791 -3.501 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.014 -3.427 8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.583 -5.411 10.647 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.694 -3.876 10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.625 -4.236 11.982 1.00 0.00 H new ATOM 193 N LEU A 17 -7.642 -0.975 8.683 1.00 0.00 N ATOM 194 CA LEU A 17 -8.596 -0.248 7.862 1.00 0.00 C ATOM 195 C LEU A 17 -9.299 -1.225 6.918 1.00 0.00 C ATOM 196 O LEU A 17 -8.671 -2.139 6.385 1.00 0.00 O ATOM 197 CB LEU A 17 -7.908 0.914 7.144 1.00 0.00 C ATOM 198 CG LEU A 17 -7.546 2.121 8.013 1.00 0.00 C ATOM 199 CD1 LEU A 17 -6.548 3.033 7.297 1.00 0.00 C ATOM 200 CD2 LEU A 17 -8.802 2.877 8.450 1.00 0.00 C ATOM 0 H LEU A 17 -6.713 -1.072 8.273 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.368 0.204 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.996 0.539 6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.559 1.254 6.338 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.058 1.757 8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.308 3.883 7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.638 2.475 7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.986 3.392 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.517 3.730 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.340 3.229 7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.445 2.212 9.026 1.00 0.00 H new ATOM 212 N GLU A 18 -10.592 -0.999 6.739 1.00 0.00 N ATOM 213 CA GLU A 18 -11.387 -1.848 5.868 1.00 0.00 C ATOM 214 C GLU A 18 -11.570 -1.183 4.502 1.00 0.00 C ATOM 215 O GLU A 18 -12.048 -0.053 4.416 1.00 0.00 O ATOM 216 CB GLU A 18 -12.740 -2.173 6.505 1.00 0.00 C ATOM 217 CG GLU A 18 -13.718 -1.008 6.340 1.00 0.00 C ATOM 218 CD GLU A 18 -14.933 -1.179 7.253 1.00 0.00 C ATOM 219 OE1 GLU A 18 -15.550 -2.264 7.180 1.00 0.00 O ATOM 220 OE2 GLU A 18 -15.218 -0.221 8.004 1.00 0.00 O ATOM 0 H GLU A 18 -11.109 -0.240 7.182 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.855 -2.788 5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.156 -3.070 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.604 -2.391 7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.214 -0.070 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.044 -0.947 5.302 1.00 0.00 H new ATOM 227 N LEU A 19 -11.180 -1.913 3.468 1.00 0.00 N ATOM 228 CA LEU A 19 -11.295 -1.409 2.110 1.00 0.00 C ATOM 229 C LEU A 19 -12.764 -1.112 1.803 1.00 0.00 C ATOM 230 O LEU A 19 -13.625 -1.263 2.669 1.00 0.00 O ATOM 231 CB LEU A 19 -10.644 -2.379 1.121 1.00 0.00 C ATOM 232 CG LEU A 19 -9.118 -2.473 1.180 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.470 -1.177 0.686 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.645 -2.851 2.585 1.00 0.00 C ATOM 0 H LEU A 19 -10.784 -2.850 3.543 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.751 -0.470 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.056 -3.373 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.931 -2.085 0.112 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.799 -3.270 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.385 -1.270 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.769 -0.991 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.794 -0.346 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.557 -2.911 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.976 -2.094 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.065 -3.818 2.863 1.00 0.00 H new ATOM 246 N THR A 20 -13.005 -0.696 0.569 1.00 0.00 N ATOM 247 CA THR A 20 -14.356 -0.377 0.137 1.00 0.00 C ATOM 248 C THR A 20 -14.561 -0.789 -1.322 1.00 0.00 C ATOM 249 O THR A 20 -13.595 -0.943 -2.069 1.00 0.00 O ATOM 250 CB THR A 20 -14.592 1.114 0.387 1.00 0.00 C ATOM 251 OG1 THR A 20 -13.775 1.762 -0.585 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.019 1.581 1.726 1.00 0.00 C ATOM 0 H THR A 20 -12.288 -0.572 -0.146 1.00 0.00 H new ATOM 0 HA THR A 20 -15.097 -0.938 0.707 1.00 0.00 H new ATOM 0 HB THR A 20 -15.662 1.322 0.358 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.868 2.733 -0.496 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.214 2.646 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.491 1.026 2.537 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.944 1.404 1.743 1.00 0.00 H new ATOM 260 N GLU A 21 -15.824 -0.955 -1.685 1.00 0.00 N ATOM 261 CA GLU A 21 -16.168 -1.346 -3.041 1.00 0.00 C ATOM 262 C GLU A 21 -15.296 -0.593 -4.048 1.00 0.00 C ATOM 263 O GLU A 21 -15.038 -1.089 -5.144 1.00 0.00 O ATOM 264 CB GLU A 21 -17.654 -1.111 -3.320 1.00 0.00 C ATOM 265 CG GLU A 21 -18.182 -2.106 -4.355 1.00 0.00 C ATOM 266 CD GLU A 21 -19.201 -1.442 -5.283 1.00 0.00 C ATOM 267 OE1 GLU A 21 -20.341 -1.231 -4.817 1.00 0.00 O ATOM 268 OE2 GLU A 21 -18.817 -1.161 -6.439 1.00 0.00 O ATOM 0 H GLU A 21 -16.622 -0.826 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.976 -2.413 -3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.221 -1.208 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.804 -0.093 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.353 -2.500 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.644 -2.953 -3.848 1.00 0.00 H new ATOM 275 N ALA A 22 -14.865 0.592 -3.640 1.00 0.00 N ATOM 276 CA ALA A 22 -14.027 1.417 -4.492 1.00 0.00 C ATOM 277 C ALA A 22 -12.556 1.101 -4.215 1.00 0.00 C ATOM 278 O ALA A 22 -11.834 0.659 -5.107 1.00 0.00 O ATOM 279 CB ALA A 22 -14.360 2.893 -4.261 1.00 0.00 C ATOM 0 H ALA A 22 -15.081 1.000 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.218 1.200 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.731 3.512 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.408 3.071 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.178 3.148 -3.217 1.00 0.00 H new ATOM 285 N GLU A 23 -12.156 1.339 -2.975 1.00 0.00 N ATOM 286 CA GLU A 23 -10.784 1.085 -2.569 1.00 0.00 C ATOM 287 C GLU A 23 -10.361 -0.326 -2.983 1.00 0.00 C ATOM 288 O GLU A 23 -9.298 -0.510 -3.574 1.00 0.00 O ATOM 289 CB GLU A 23 -10.612 1.289 -1.063 1.00 0.00 C ATOM 290 CG GLU A 23 -10.040 2.675 -0.759 1.00 0.00 C ATOM 291 CD GLU A 23 -8.750 2.921 -1.545 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.794 2.146 -1.324 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.750 3.877 -2.350 1.00 0.00 O ATOM 0 H GLU A 23 -12.758 1.705 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.137 1.801 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.574 1.171 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.949 0.522 -0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.775 3.439 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.842 2.764 0.309 1.00 0.00 H new ATOM 300 N LEU A 24 -11.215 -1.285 -2.657 1.00 0.00 N ATOM 301 CA LEU A 24 -10.943 -2.674 -2.988 1.00 0.00 C ATOM 302 C LEU A 24 -10.341 -2.750 -4.393 1.00 0.00 C ATOM 303 O LEU A 24 -9.369 -3.469 -4.617 1.00 0.00 O ATOM 304 CB LEU A 24 -12.202 -3.523 -2.811 1.00 0.00 C ATOM 305 CG LEU A 24 -12.345 -4.240 -1.467 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.630 -5.069 -1.421 1.00 0.00 C ATOM 307 CD2 LEU A 24 -11.107 -5.086 -1.163 1.00 0.00 C ATOM 0 H LEU A 24 -12.096 -1.128 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.206 -3.092 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.072 -2.881 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.226 -4.271 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.421 -3.485 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.707 -5.568 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.490 -4.415 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.610 -5.816 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.234 -5.585 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.976 -5.833 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.228 -4.443 -1.124 1.00 0.00 H new ATOM 319 N VAL A 25 -10.945 -1.999 -5.302 1.00 0.00 N ATOM 320 CA VAL A 25 -10.481 -1.973 -6.679 1.00 0.00 C ATOM 321 C VAL A 25 -9.099 -1.320 -6.735 1.00 0.00 C ATOM 322 O VAL A 25 -8.196 -1.826 -7.399 1.00 0.00 O ATOM 323 CB VAL A 25 -11.511 -1.268 -7.565 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.986 -1.106 -8.993 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.847 -2.014 -7.552 1.00 0.00 C ATOM 0 H VAL A 25 -11.751 -1.404 -5.112 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.378 -2.987 -7.066 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.680 -0.272 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.737 -0.602 -9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.072 -0.512 -8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.775 -2.088 -9.416 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.561 -1.492 -8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.701 -3.028 -7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.232 -2.054 -6.533 1.00 0.00 H new ATOM 335 N THR A 26 -8.976 -0.206 -6.027 1.00 0.00 N ATOM 336 CA THR A 26 -7.719 0.521 -5.988 1.00 0.00 C ATOM 337 C THR A 26 -6.615 -0.355 -5.392 1.00 0.00 C ATOM 338 O THR A 26 -5.502 -0.398 -5.915 1.00 0.00 O ATOM 339 CB THR A 26 -7.948 1.820 -5.213 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.624 2.664 -6.142 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.644 2.563 -4.916 1.00 0.00 C ATOM 0 H THR A 26 -9.727 0.210 -5.476 1.00 0.00 H new ATOM 0 HA THR A 26 -7.380 0.779 -6.991 1.00 0.00 H new ATOM 0 HB THR A 26 -8.460 1.598 -4.277 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.813 3.528 -5.721 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.864 3.477 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.991 1.927 -4.319 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.147 2.815 -5.853 1.00 0.00 H new ATOM 349 N ALA A 27 -6.961 -1.031 -4.307 1.00 0.00 N ATOM 350 CA ALA A 27 -6.013 -1.903 -3.634 1.00 0.00 C ATOM 351 C ALA A 27 -5.520 -2.967 -4.617 1.00 0.00 C ATOM 352 O ALA A 27 -4.364 -3.383 -4.558 1.00 0.00 O ATOM 353 CB ALA A 27 -6.672 -2.515 -2.396 1.00 0.00 C ATOM 0 H ALA A 27 -7.885 -0.993 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.145 -1.338 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.961 -3.169 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.979 -1.720 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.546 -3.093 -2.697 1.00 0.00 H new ATOM 359 N GLU A 28 -6.420 -3.376 -5.499 1.00 0.00 N ATOM 360 CA GLU A 28 -6.091 -4.383 -6.493 1.00 0.00 C ATOM 361 C GLU A 28 -5.181 -3.788 -7.570 1.00 0.00 C ATOM 362 O GLU A 28 -4.338 -4.486 -8.131 1.00 0.00 O ATOM 363 CB GLU A 28 -7.357 -4.977 -7.112 1.00 0.00 C ATOM 364 CG GLU A 28 -7.890 -6.135 -6.267 1.00 0.00 C ATOM 365 CD GLU A 28 -7.940 -7.430 -7.080 1.00 0.00 C ATOM 366 OE1 GLU A 28 -6.859 -7.848 -7.549 1.00 0.00 O ATOM 367 OE2 GLU A 28 -9.058 -7.973 -7.214 1.00 0.00 O ATOM 0 H GLU A 28 -7.378 -3.028 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.555 -5.192 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.121 -4.204 -7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.142 -5.328 -8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.254 -6.275 -5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.887 -5.893 -5.900 1.00 0.00 H new ATOM 374 N ALA A 29 -5.383 -2.503 -7.826 1.00 0.00 N ATOM 375 CA ALA A 29 -4.591 -1.807 -8.826 1.00 0.00 C ATOM 376 C ALA A 29 -3.130 -1.764 -8.374 1.00 0.00 C ATOM 377 O ALA A 29 -2.225 -2.029 -9.164 1.00 0.00 O ATOM 378 CB ALA A 29 -5.172 -0.409 -9.054 1.00 0.00 C ATOM 0 H ALA A 29 -6.083 -1.927 -7.359 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.626 -2.335 -9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.578 0.114 -9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.202 -0.495 -9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.150 0.151 -8.119 1.00 0.00 H new ATOM 384 N VAL A 30 -2.946 -1.429 -7.106 1.00 0.00 N ATOM 385 CA VAL A 30 -1.610 -1.349 -6.540 1.00 0.00 C ATOM 386 C VAL A 30 -0.936 -2.719 -6.638 1.00 0.00 C ATOM 387 O VAL A 30 0.247 -2.811 -6.965 1.00 0.00 O ATOM 388 CB VAL A 30 -1.680 -0.819 -5.106 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.380 -1.105 -4.351 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.005 0.676 -5.090 1.00 0.00 C ATOM 0 H VAL A 30 -3.699 -1.210 -6.454 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.998 -0.645 -7.104 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.487 -1.344 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.457 -0.718 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.208 -2.181 -4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.452 -0.620 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.049 1.028 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.230 1.223 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.968 0.844 -5.572 1.00 0.00 H new ATOM 400 N ARG A 31 -1.717 -3.749 -6.349 1.00 0.00 N ATOM 401 CA ARG A 31 -1.210 -5.110 -6.401 1.00 0.00 C ATOM 402 C ARG A 31 -0.549 -5.379 -7.754 1.00 0.00 C ATOM 403 O ARG A 31 0.518 -5.989 -7.818 1.00 0.00 O ATOM 404 CB ARG A 31 -2.333 -6.125 -6.179 1.00 0.00 C ATOM 405 CG ARG A 31 -1.766 -7.521 -5.913 1.00 0.00 C ATOM 406 CD ARG A 31 -2.527 -8.216 -4.783 1.00 0.00 C ATOM 407 NE ARG A 31 -3.534 -9.144 -5.345 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.026 -10.204 -4.691 1.00 0.00 C ATOM 409 NH1 ARG A 31 -3.608 -10.479 -3.448 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.937 -10.991 -5.281 1.00 0.00 N ATOM 0 H ARG A 31 -2.697 -3.669 -6.078 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.474 -5.220 -5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.949 -5.812 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.981 -6.153 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.828 -8.121 -6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.710 -7.445 -5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.831 -8.764 -4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.017 -7.473 -4.153 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.875 -8.965 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.914 -9.881 -2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.983 -11.287 -2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.255 -10.782 -6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.312 -11.799 -4.783 1.00 0.00 H new ATOM 424 N SER A 32 -1.210 -4.912 -8.803 1.00 0.00 N ATOM 425 CA SER A 32 -0.700 -5.094 -10.151 1.00 0.00 C ATOM 426 C SER A 32 0.696 -4.478 -10.271 1.00 0.00 C ATOM 427 O SER A 32 1.547 -4.996 -10.991 1.00 0.00 O ATOM 428 CB SER A 32 -1.643 -4.477 -11.186 1.00 0.00 C ATOM 429 OG SER A 32 -1.372 -4.947 -12.503 1.00 0.00 O ATOM 0 H SER A 32 -2.095 -4.408 -8.746 1.00 0.00 H new ATOM 0 HA SER A 32 -0.636 -6.164 -10.350 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.674 -4.712 -10.922 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.547 -3.391 -11.162 1.00 0.00 H new ATOM 0 HG SER A 32 -1.996 -4.531 -13.134 1.00 0.00 H new ATOM 435 N VAL A 33 0.886 -3.380 -9.554 1.00 0.00 N ATOM 436 CA VAL A 33 2.163 -2.688 -9.571 1.00 0.00 C ATOM 437 C VAL A 33 3.251 -3.620 -9.032 1.00 0.00 C ATOM 438 O VAL A 33 4.238 -3.887 -9.715 1.00 0.00 O ATOM 439 CB VAL A 33 2.058 -1.377 -8.789 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.356 -0.573 -8.889 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.863 -0.549 -9.265 1.00 0.00 C ATOM 0 H VAL A 33 0.177 -2.953 -8.958 1.00 0.00 H new ATOM 0 HA VAL A 33 2.439 -2.422 -10.591 1.00 0.00 H new ATOM 0 HB VAL A 33 1.898 -1.625 -7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.254 0.354 -8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.179 -1.159 -8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.560 -0.341 -9.934 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.811 0.377 -8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.980 -0.316 -10.323 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.055 -1.118 -9.118 1.00 0.00 H new ATOM 451 N TRP A 34 3.033 -4.088 -7.812 1.00 0.00 N ATOM 452 CA TRP A 34 3.982 -4.984 -7.173 1.00 0.00 C ATOM 453 C TRP A 34 4.244 -6.152 -8.126 1.00 0.00 C ATOM 454 O TRP A 34 5.390 -6.429 -8.474 1.00 0.00 O ATOM 455 CB TRP A 34 3.475 -5.433 -5.802 1.00 0.00 C ATOM 456 CG TRP A 34 3.522 -4.340 -4.732 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.291 -3.029 -4.881 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.831 -4.519 -3.333 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.427 -2.352 -3.687 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.766 -3.287 -2.715 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.154 -5.683 -2.614 1.00 0.00 C ATOM 462 CZ2 TRP A 34 4.012 -3.100 -1.350 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.397 -5.479 -1.251 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.336 -4.246 -0.614 1.00 0.00 C ATOM 0 H TRP A 34 2.213 -3.864 -7.249 1.00 0.00 H new ATOM 0 HA TRP A 34 4.925 -4.473 -6.980 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.448 -5.784 -5.903 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.071 -6.282 -5.466 1.00 0.00 H new ATOM 0 HD1 TRP A 34 3.031 -2.561 -5.819 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.302 -1.350 -3.543 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.210 -6.657 -3.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.955 -2.125 -0.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.650 -6.341 -0.652 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.538 -4.172 0.444 1.00 0.00 H new ATOM 475 N GLN A 35 3.161 -6.806 -8.520 1.00 0.00 N ATOM 476 CA GLN A 35 3.259 -7.938 -9.426 1.00 0.00 C ATOM 477 C GLN A 35 4.092 -7.565 -10.654 1.00 0.00 C ATOM 478 O GLN A 35 5.137 -8.162 -10.904 1.00 0.00 O ATOM 479 CB GLN A 35 1.871 -8.435 -9.835 1.00 0.00 C ATOM 480 CG GLN A 35 1.149 -9.081 -8.650 1.00 0.00 C ATOM 481 CD GLN A 35 1.302 -10.603 -8.678 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.500 -11.033 -8.295 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 0.391 -11.338 -9.025 1.00 0.00 N flip ATOM 0 H GLN A 35 2.212 -6.574 -8.229 1.00 0.00 H new ATOM 0 HA GLN A 35 3.761 -8.753 -8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.280 -7.602 -10.215 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.964 -9.157 -10.646 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.552 -8.689 -7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.092 -8.818 -8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.505 -10.941 -9.308 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.526 -12.349 -9.032 1.00 0.00 H new ATOM 492 N ARG A 36 3.596 -6.579 -11.388 1.00 0.00 N ATOM 493 CA ARG A 36 4.282 -6.119 -12.584 1.00 0.00 C ATOM 494 C ARG A 36 5.770 -5.912 -12.296 1.00 0.00 C ATOM 495 O ARG A 36 6.612 -6.148 -13.161 1.00 0.00 O ATOM 496 CB ARG A 36 3.680 -4.808 -13.093 1.00 0.00 C ATOM 497 CG ARG A 36 2.451 -5.071 -13.966 1.00 0.00 C ATOM 498 CD ARG A 36 2.180 -3.891 -14.901 1.00 0.00 C ATOM 499 NE ARG A 36 1.757 -4.386 -16.230 1.00 0.00 N ATOM 500 CZ ARG A 36 1.426 -3.591 -17.257 1.00 0.00 C ATOM 501 NH1 ARG A 36 1.465 -2.259 -17.113 1.00 0.00 N ATOM 502 NH2 ARG A 36 1.054 -4.127 -18.427 1.00 0.00 N ATOM 0 H ARG A 36 2.728 -6.086 -11.178 1.00 0.00 H new ATOM 0 HA ARG A 36 4.161 -6.884 -13.351 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.402 -4.179 -12.247 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.427 -4.259 -13.666 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.604 -5.977 -14.553 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.581 -5.245 -13.333 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.405 -3.252 -14.478 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.078 -3.281 -15.000 1.00 0.00 H new ATOM 0 HE ARG A 36 1.715 -5.395 -16.373 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.747 -1.850 -16.222 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.213 -1.654 -17.895 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.023 -5.141 -18.537 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.802 -3.522 -19.208 1.00 0.00 H new ATOM 516 N ILE A 37 6.049 -5.473 -11.077 1.00 0.00 N ATOM 517 CA ILE A 37 7.421 -5.231 -10.665 1.00 0.00 C ATOM 518 C ILE A 37 8.091 -6.565 -10.330 1.00 0.00 C ATOM 519 O ILE A 37 8.890 -7.076 -11.113 1.00 0.00 O ATOM 520 CB ILE A 37 7.465 -4.216 -9.521 1.00 0.00 C ATOM 521 CG1 ILE A 37 7.052 -2.825 -10.006 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.841 -4.204 -8.852 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.126 -1.804 -8.869 1.00 0.00 C ATOM 0 H ILE A 37 5.348 -5.279 -10.362 1.00 0.00 H new ATOM 0 HA ILE A 37 7.991 -4.784 -11.480 1.00 0.00 H new ATOM 0 HB ILE A 37 6.742 -4.522 -8.765 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.703 -2.513 -10.823 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.037 -2.860 -10.402 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.846 -3.474 -8.042 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.059 -5.193 -8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.600 -3.936 -9.587 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.827 -0.824 -9.240 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.456 -2.107 -8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.147 -1.753 -8.491 1.00 0.00 H new ATOM 535 N LEU A 38 7.740 -7.091 -9.165 1.00 0.00 N ATOM 536 CA LEU A 38 8.298 -8.355 -8.717 1.00 0.00 C ATOM 537 C LEU A 38 8.128 -9.402 -9.820 1.00 0.00 C ATOM 538 O LEU A 38 7.029 -9.910 -10.035 1.00 0.00 O ATOM 539 CB LEU A 38 7.682 -8.768 -7.378 1.00 0.00 C ATOM 540 CG LEU A 38 7.833 -7.764 -6.233 1.00 0.00 C ATOM 541 CD1 LEU A 38 6.929 -8.135 -5.056 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.297 -7.629 -5.811 1.00 0.00 C ATOM 0 H LEU A 38 7.076 -6.664 -8.518 1.00 0.00 H new ATOM 0 HA LEU A 38 9.368 -8.255 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.620 -8.956 -7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.132 -9.712 -7.069 1.00 0.00 H new ATOM 0 HG LEU A 38 7.510 -6.786 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.056 -7.406 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.889 -8.138 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.197 -9.126 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.376 -6.910 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.670 -8.597 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.890 -7.284 -6.658 1.00 0.00 H new ATOM 554 N PRO A 39 9.263 -9.702 -10.507 1.00 0.00 N ATOM 555 CA PRO A 39 9.250 -10.679 -11.583 1.00 0.00 C ATOM 556 C PRO A 39 9.169 -12.103 -11.029 1.00 0.00 C ATOM 557 O PRO A 39 8.132 -12.755 -11.135 1.00 0.00 O ATOM 558 CB PRO A 39 10.526 -10.418 -12.366 1.00 0.00 C ATOM 559 CG PRO A 39 11.429 -9.622 -11.438 1.00 0.00 C ATOM 560 CD PRO A 39 10.582 -9.120 -10.281 1.00 0.00 C ATOM 0 HA PRO A 39 8.376 -10.584 -12.228 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.000 -11.353 -12.664 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.317 -9.861 -13.280 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.245 -10.246 -11.072 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.882 -8.786 -11.971 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.995 -9.435 -9.322 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.537 -8.031 -10.267 1.00 0.00 H new ATOM 568 N LYS A 40 10.277 -12.542 -10.450 1.00 0.00 N ATOM 569 CA LYS A 40 10.344 -13.877 -9.880 1.00 0.00 C ATOM 570 C LYS A 40 9.032 -14.184 -9.155 1.00 0.00 C ATOM 571 O LYS A 40 8.588 -15.331 -9.126 1.00 0.00 O ATOM 572 CB LYS A 40 11.583 -14.019 -8.994 1.00 0.00 C ATOM 573 CG LYS A 40 12.848 -14.176 -9.841 1.00 0.00 C ATOM 574 CD LYS A 40 13.817 -13.017 -9.600 1.00 0.00 C ATOM 575 CE LYS A 40 14.583 -12.668 -10.878 1.00 0.00 C ATOM 576 NZ LYS A 40 15.952 -13.228 -10.830 1.00 0.00 N ATOM 0 H LYS A 40 11.135 -11.997 -10.363 1.00 0.00 H new ATOM 0 HA LYS A 40 10.456 -14.622 -10.668 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.677 -13.143 -8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.469 -14.883 -8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.337 -15.120 -9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.580 -14.217 -10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.265 -12.143 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.521 -13.284 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.053 -13.061 -11.746 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.630 -11.586 -10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.458 -12.982 -11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.460 -12.833 -10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.901 -14.263 -10.739 1.00 0.00 H new ATOM 590 N VAL A 41 8.447 -13.139 -8.588 1.00 0.00 N ATOM 591 CA VAL A 41 7.195 -13.282 -7.866 1.00 0.00 C ATOM 592 C VAL A 41 6.077 -13.618 -8.855 1.00 0.00 C ATOM 593 O VAL A 41 5.995 -13.027 -9.930 1.00 0.00 O ATOM 594 CB VAL A 41 6.913 -12.018 -7.052 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.504 -12.054 -6.454 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.967 -11.822 -5.960 1.00 0.00 C ATOM 0 H VAL A 41 8.818 -12.189 -8.614 1.00 0.00 H new ATOM 0 HA VAL A 41 7.257 -14.104 -7.153 1.00 0.00 H new ATOM 0 HB VAL A 41 6.969 -11.165 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.329 -11.144 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.770 -12.124 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.409 -12.920 -5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.743 -10.916 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.958 -12.680 -5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.952 -11.730 -6.417 1.00 0.00 H new ATOM 606 N LEU A 42 5.242 -14.567 -8.455 1.00 0.00 N ATOM 607 CA LEU A 42 4.132 -14.989 -9.292 1.00 0.00 C ATOM 608 C LEU A 42 2.859 -14.270 -8.844 1.00 0.00 C ATOM 609 O LEU A 42 2.109 -13.753 -9.671 1.00 0.00 O ATOM 610 CB LEU A 42 4.010 -16.514 -9.291 1.00 0.00 C ATOM 611 CG LEU A 42 5.126 -17.277 -10.007 1.00 0.00 C ATOM 612 CD1 LEU A 42 4.736 -17.593 -11.452 1.00 0.00 C ATOM 613 CD2 LEU A 42 6.451 -16.516 -9.925 1.00 0.00 C ATOM 0 H LEU A 42 5.312 -15.055 -7.562 1.00 0.00 H new ATOM 0 HA LEU A 42 4.309 -14.707 -10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.970 -16.855 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.060 -16.783 -9.752 1.00 0.00 H new ATOM 0 HG LEU A 42 5.269 -18.229 -9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.547 -18.136 -11.937 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.834 -18.205 -11.460 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.548 -16.664 -11.990 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.227 -17.080 -10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.339 -15.539 -10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.732 -16.386 -8.880 1.00 0.00 H new ATOM 625 N GLU A 43 2.652 -14.259 -7.535 1.00 0.00 N ATOM 626 CA GLU A 43 1.482 -13.611 -6.967 1.00 0.00 C ATOM 627 C GLU A 43 1.877 -12.776 -5.748 1.00 0.00 C ATOM 628 O GLU A 43 2.753 -13.170 -4.979 1.00 0.00 O ATOM 629 CB GLU A 43 0.409 -14.640 -6.603 1.00 0.00 C ATOM 630 CG GLU A 43 -0.696 -14.003 -5.759 1.00 0.00 C ATOM 631 CD GLU A 43 -2.073 -14.530 -6.170 1.00 0.00 C ATOM 632 OE1 GLU A 43 -2.357 -14.485 -7.386 1.00 0.00 O ATOM 633 OE2 GLU A 43 -2.809 -14.965 -5.258 1.00 0.00 O ATOM 0 H GLU A 43 3.275 -14.689 -6.851 1.00 0.00 H new ATOM 0 HA GLU A 43 1.059 -12.944 -7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.020 -15.061 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.862 -15.465 -6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.521 -14.216 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.668 -12.920 -5.875 1.00 0.00 H new ATOM 640 N VAL A 44 1.213 -11.638 -5.609 1.00 0.00 N ATOM 641 CA VAL A 44 1.483 -10.744 -4.496 1.00 0.00 C ATOM 642 C VAL A 44 0.387 -10.903 -3.441 1.00 0.00 C ATOM 643 O VAL A 44 -0.784 -10.641 -3.714 1.00 0.00 O ATOM 644 CB VAL A 44 1.623 -9.307 -5.002 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.164 -8.305 -3.940 1.00 0.00 C ATOM 646 CG2 VAL A 44 3.060 -9.019 -5.443 1.00 0.00 C ATOM 0 H VAL A 44 0.488 -11.314 -6.249 1.00 0.00 H new ATOM 0 HA VAL A 44 2.430 -11.001 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 44 0.976 -9.193 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.274 -7.291 -4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.118 -8.489 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.773 -8.421 -3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.132 -7.991 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.735 -9.159 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.338 -9.701 -6.247 1.00 0.00 H new ATOM 656 N GLU A 45 0.804 -11.331 -2.259 1.00 0.00 N ATOM 657 CA GLU A 45 -0.128 -11.527 -1.162 1.00 0.00 C ATOM 658 C GLU A 45 0.006 -10.395 -0.142 1.00 0.00 C ATOM 659 O GLU A 45 0.773 -9.455 -0.349 1.00 0.00 O ATOM 660 CB GLU A 45 0.084 -12.890 -0.499 1.00 0.00 C ATOM 661 CG GLU A 45 1.550 -13.086 -0.107 1.00 0.00 C ATOM 662 CD GLU A 45 2.208 -14.166 -0.968 1.00 0.00 C ATOM 663 OE1 GLU A 45 2.099 -15.349 -0.577 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.805 -13.786 -1.998 1.00 0.00 O ATOM 0 H GLU A 45 1.776 -11.548 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.141 -11.509 -1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.547 -12.970 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.223 -13.682 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.090 -12.146 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.615 -13.365 0.945 1.00 0.00 H new ATOM 671 N ASP A 46 -0.752 -10.521 0.937 1.00 0.00 N ATOM 672 CA ASP A 46 -0.728 -9.519 1.990 1.00 0.00 C ATOM 673 C ASP A 46 0.498 -9.748 2.877 1.00 0.00 C ATOM 674 O ASP A 46 0.920 -8.848 3.602 1.00 0.00 O ATOM 675 CB ASP A 46 -1.974 -9.617 2.872 1.00 0.00 C ATOM 676 CG ASP A 46 -2.013 -10.829 3.805 1.00 0.00 C ATOM 677 OD1 ASP A 46 -1.372 -10.742 4.875 1.00 0.00 O ATOM 678 OD2 ASP A 46 -2.682 -11.815 3.427 1.00 0.00 O ATOM 0 H ASP A 46 -1.387 -11.301 1.105 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.695 -8.536 1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.046 -8.711 3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.854 -9.644 2.230 1.00 0.00 H new ATOM 683 N SER A 47 1.035 -10.956 2.789 1.00 0.00 N ATOM 684 CA SER A 47 2.204 -11.313 3.574 1.00 0.00 C ATOM 685 C SER A 47 3.473 -11.128 2.739 1.00 0.00 C ATOM 686 O SER A 47 4.581 -11.321 3.236 1.00 0.00 O ATOM 687 CB SER A 47 2.108 -12.754 4.081 1.00 0.00 C ATOM 688 OG SER A 47 2.016 -12.815 5.501 1.00 0.00 O ATOM 0 H SER A 47 0.682 -11.699 2.186 1.00 0.00 H new ATOM 0 HA SER A 47 2.248 -10.653 4.440 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.235 -13.236 3.640 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.983 -13.314 3.750 1.00 0.00 H new ATOM 0 HG SER A 47 1.955 -13.751 5.785 1.00 0.00 H new ATOM 694 N THR A 48 3.267 -10.757 1.484 1.00 0.00 N ATOM 695 CA THR A 48 4.381 -10.544 0.575 1.00 0.00 C ATOM 696 C THR A 48 5.132 -9.263 0.944 1.00 0.00 C ATOM 697 O THR A 48 4.519 -8.219 1.160 1.00 0.00 O ATOM 698 CB THR A 48 3.830 -10.535 -0.853 1.00 0.00 C ATOM 699 OG1 THR A 48 4.108 -11.845 -1.339 1.00 0.00 O ATOM 700 CG2 THR A 48 4.626 -9.616 -1.782 1.00 0.00 C ATOM 0 H THR A 48 2.346 -10.598 1.075 1.00 0.00 H new ATOM 0 HA THR A 48 5.114 -11.347 0.652 1.00 0.00 H new ATOM 0 HB THR A 48 2.787 -10.220 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.337 -12.176 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.194 -9.647 -2.782 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.590 -8.595 -1.402 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.662 -9.951 -1.825 1.00 0.00 H new ATOM 708 N ASP A 49 6.450 -9.386 1.005 1.00 0.00 N ATOM 709 CA ASP A 49 7.292 -8.251 1.344 1.00 0.00 C ATOM 710 C ASP A 49 7.905 -7.676 0.065 1.00 0.00 C ATOM 711 O ASP A 49 8.596 -8.381 -0.668 1.00 0.00 O ATOM 712 CB ASP A 49 8.437 -8.671 2.268 1.00 0.00 C ATOM 713 CG ASP A 49 8.778 -7.668 3.372 1.00 0.00 C ATOM 714 OD1 ASP A 49 7.986 -7.595 4.336 1.00 0.00 O ATOM 715 OD2 ASP A 49 9.823 -6.998 3.226 1.00 0.00 O ATOM 0 H ASP A 49 6.955 -10.254 0.826 1.00 0.00 H new ATOM 0 HA ASP A 49 6.672 -7.511 1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.180 -9.624 2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.328 -8.840 1.664 1.00 0.00 H new ATOM 720 N PHE A 50 7.628 -6.400 -0.164 1.00 0.00 N ATOM 721 CA PHE A 50 8.143 -5.722 -1.341 1.00 0.00 C ATOM 722 C PHE A 50 9.647 -5.960 -1.497 1.00 0.00 C ATOM 723 O PHE A 50 10.148 -6.080 -2.614 1.00 0.00 O ATOM 724 CB PHE A 50 7.893 -4.226 -1.141 1.00 0.00 C ATOM 725 CG PHE A 50 8.204 -3.373 -2.373 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.453 -3.505 -3.499 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.232 -2.483 -2.341 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.742 -2.714 -4.642 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.521 -1.692 -3.484 1.00 0.00 C ATOM 730 CZ PHE A 50 8.770 -1.824 -4.610 1.00 0.00 C ATOM 0 H PHE A 50 7.053 -5.818 0.446 1.00 0.00 H new ATOM 0 HA PHE A 50 7.648 -6.101 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.850 -4.076 -0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.500 -3.875 -0.306 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.637 -4.212 -3.524 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.828 -2.378 -1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.146 -2.819 -5.536 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.337 -0.985 -3.459 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.990 -1.222 -5.479 1.00 0.00 H new ATOM 740 N PHE A 51 10.325 -6.020 -0.360 1.00 0.00 N ATOM 741 CA PHE A 51 11.761 -6.241 -0.356 1.00 0.00 C ATOM 742 C PHE A 51 12.088 -7.727 -0.516 1.00 0.00 C ATOM 743 O PHE A 51 12.638 -8.139 -1.536 1.00 0.00 O ATOM 744 CB PHE A 51 12.283 -5.758 0.999 1.00 0.00 C ATOM 745 CG PHE A 51 12.085 -4.262 1.245 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.302 -3.372 0.240 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.690 -3.821 2.470 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.117 -1.983 0.469 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.506 -2.432 2.699 1.00 0.00 C ATOM 750 CZ PHE A 51 11.723 -1.542 1.694 1.00 0.00 C ATOM 0 H PHE A 51 9.906 -5.919 0.565 1.00 0.00 H new ATOM 0 HA PHE A 51 12.223 -5.705 -1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.781 -6.315 1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.346 -5.990 1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.615 -3.722 -0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.516 -4.528 3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.289 -1.277 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.194 -2.082 3.672 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.583 -0.485 1.868 1.00 0.00 H new ATOM 760 N LYS A 52 11.735 -8.491 0.508 1.00 0.00 N ATOM 761 CA LYS A 52 11.984 -9.922 0.494 1.00 0.00 C ATOM 762 C LYS A 52 11.673 -10.476 -0.898 1.00 0.00 C ATOM 763 O LYS A 52 12.384 -11.348 -1.396 1.00 0.00 O ATOM 764 CB LYS A 52 11.208 -10.612 1.617 1.00 0.00 C ATOM 765 CG LYS A 52 11.434 -9.904 2.955 1.00 0.00 C ATOM 766 CD LYS A 52 11.336 -10.890 4.121 1.00 0.00 C ATOM 767 CE LYS A 52 9.940 -10.863 4.746 1.00 0.00 C ATOM 768 NZ LYS A 52 9.863 -11.810 5.881 1.00 0.00 N ATOM 0 H LYS A 52 11.279 -8.146 1.352 1.00 0.00 H new ATOM 0 HA LYS A 52 13.036 -10.127 0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.144 -10.617 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.522 -11.653 1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.415 -9.429 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.696 -9.112 3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.562 -11.897 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.081 -10.641 4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.708 -9.855 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.194 -11.124 3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.909 -11.780 6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.064 -12.773 5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.562 -11.543 6.604 1.00 0.00 H new ATOM 782 N SER A 53 10.611 -9.946 -1.487 1.00 0.00 N ATOM 783 CA SER A 53 10.197 -10.377 -2.812 1.00 0.00 C ATOM 784 C SER A 53 11.375 -10.281 -3.785 1.00 0.00 C ATOM 785 O SER A 53 11.932 -11.298 -4.192 1.00 0.00 O ATOM 786 CB SER A 53 9.020 -9.542 -3.320 1.00 0.00 C ATOM 787 OG SER A 53 7.772 -10.028 -2.831 1.00 0.00 O ATOM 0 H SER A 53 10.025 -9.222 -1.071 1.00 0.00 H new ATOM 0 HA SER A 53 9.870 -11.415 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.151 -8.505 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.011 -9.552 -4.410 1.00 0.00 H new ATOM 0 HG SER A 53 7.632 -9.708 -1.915 1.00 0.00 H new ATOM 793 N GLY A 54 11.718 -9.048 -4.128 1.00 0.00 N ATOM 794 CA GLY A 54 12.818 -8.806 -5.045 1.00 0.00 C ATOM 795 C GLY A 54 12.813 -7.357 -5.537 1.00 0.00 C ATOM 796 O GLY A 54 13.051 -7.097 -6.716 1.00 0.00 O ATOM 0 H GLY A 54 11.253 -8.206 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.764 -9.022 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.743 -9.483 -5.896 1.00 0.00 H new ATOM 800 N ALA A 55 12.539 -6.451 -4.610 1.00 0.00 N ATOM 801 CA ALA A 55 12.500 -5.036 -4.934 1.00 0.00 C ATOM 802 C ALA A 55 13.884 -4.426 -4.705 1.00 0.00 C ATOM 803 O ALA A 55 14.518 -4.682 -3.683 1.00 0.00 O ATOM 804 CB ALA A 55 11.416 -4.350 -4.100 1.00 0.00 C ATOM 0 H ALA A 55 12.342 -6.670 -3.634 1.00 0.00 H new ATOM 0 HA ALA A 55 12.245 -4.890 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.387 -3.288 -4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.448 -4.799 -4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.640 -4.473 -3.040 1.00 0.00 H new ATOM 810 N ALA A 56 14.313 -3.631 -5.675 1.00 0.00 N ATOM 811 CA ALA A 56 15.611 -2.982 -5.592 1.00 0.00 C ATOM 812 C ALA A 56 15.432 -1.560 -5.056 1.00 0.00 C ATOM 813 O ALA A 56 14.319 -1.151 -4.731 1.00 0.00 O ATOM 814 CB ALA A 56 16.283 -3.008 -6.966 1.00 0.00 C ATOM 0 H ALA A 56 13.785 -3.422 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 56 16.264 -3.515 -4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.256 -2.521 -6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.414 -4.041 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.658 -2.480 -7.687 1.00 0.00 H new ATOM 820 N SER A 57 16.546 -0.846 -4.982 1.00 0.00 N ATOM 821 CA SER A 57 16.526 0.521 -4.491 1.00 0.00 C ATOM 822 C SER A 57 15.779 1.421 -5.478 1.00 0.00 C ATOM 823 O SER A 57 15.372 2.528 -5.129 1.00 0.00 O ATOM 824 CB SER A 57 17.946 1.046 -4.265 1.00 0.00 C ATOM 825 OG SER A 57 18.730 0.991 -5.454 1.00 0.00 O ATOM 0 H SER A 57 17.468 -1.189 -5.254 1.00 0.00 H new ATOM 0 HA SER A 57 16.006 0.532 -3.533 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.900 2.075 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.430 0.459 -3.484 1.00 0.00 H new ATOM 0 HG SER A 57 19.629 1.336 -5.270 1.00 0.00 H new ATOM 831 N VAL A 58 15.621 0.911 -6.691 1.00 0.00 N ATOM 832 CA VAL A 58 14.929 1.655 -7.730 1.00 0.00 C ATOM 833 C VAL A 58 13.438 1.317 -7.687 1.00 0.00 C ATOM 834 O VAL A 58 12.594 2.187 -7.897 1.00 0.00 O ATOM 835 CB VAL A 58 15.568 1.368 -9.091 1.00 0.00 C ATOM 836 CG1 VAL A 58 17.091 1.283 -8.975 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.993 0.091 -9.708 1.00 0.00 C ATOM 0 H VAL A 58 15.960 -0.007 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 58 15.024 2.727 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 58 15.329 2.199 -9.755 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.520 1.078 -9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.481 2.229 -8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.359 0.481 -8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.464 -0.090 -10.674 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.188 -0.753 -9.046 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.918 0.205 -9.844 1.00 0.00 H new ATOM 847 N ASP A 59 13.158 0.052 -7.411 1.00 0.00 N ATOM 848 CA ASP A 59 11.783 -0.412 -7.337 1.00 0.00 C ATOM 849 C ASP A 59 11.011 0.453 -6.338 1.00 0.00 C ATOM 850 O ASP A 59 9.850 0.788 -6.569 1.00 0.00 O ATOM 851 CB ASP A 59 11.715 -1.863 -6.857 1.00 0.00 C ATOM 852 CG ASP A 59 10.324 -2.498 -6.910 1.00 0.00 C ATOM 853 OD1 ASP A 59 9.483 -1.959 -7.663 1.00 0.00 O ATOM 854 OD2 ASP A 59 10.133 -3.507 -6.198 1.00 0.00 O ATOM 0 H ASP A 59 13.860 -0.667 -7.236 1.00 0.00 H new ATOM 0 HA ASP A 59 11.350 -0.342 -8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.395 -2.462 -7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.079 -1.908 -5.831 1.00 0.00 H new ATOM 859 N VAL A 60 11.687 0.789 -5.249 1.00 0.00 N ATOM 860 CA VAL A 60 11.080 1.608 -4.214 1.00 0.00 C ATOM 861 C VAL A 60 10.410 2.823 -4.859 1.00 0.00 C ATOM 862 O VAL A 60 9.239 3.100 -4.601 1.00 0.00 O ATOM 863 CB VAL A 60 12.127 1.989 -3.166 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.547 2.965 -2.141 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.694 0.745 -2.479 1.00 0.00 C ATOM 0 H VAL A 60 12.650 0.509 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 60 10.305 1.049 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 60 12.947 2.491 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.312 3.220 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.215 3.871 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.700 2.501 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.436 1.044 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.888 0.202 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 60 13.163 0.101 -3.223 1.00 0.00 H new ATOM 875 N VAL A 61 11.180 3.515 -5.685 1.00 0.00 N ATOM 876 CA VAL A 61 10.676 4.694 -6.368 1.00 0.00 C ATOM 877 C VAL A 61 9.626 4.271 -7.398 1.00 0.00 C ATOM 878 O VAL A 61 8.588 4.917 -7.532 1.00 0.00 O ATOM 879 CB VAL A 61 11.836 5.478 -6.985 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.373 6.854 -7.467 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.998 5.605 -5.998 1.00 0.00 C ATOM 0 H VAL A 61 12.150 3.282 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 61 10.188 5.365 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 61 12.192 4.922 -7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.217 7.390 -7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.594 6.733 -8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.978 7.421 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.809 6.166 -6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.660 6.128 -5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.354 4.612 -5.725 1.00 0.00 H new ATOM 891 N ARG A 62 9.933 3.189 -8.099 1.00 0.00 N ATOM 892 CA ARG A 62 9.029 2.673 -9.112 1.00 0.00 C ATOM 893 C ARG A 62 7.641 2.436 -8.514 1.00 0.00 C ATOM 894 O ARG A 62 6.639 2.894 -9.062 1.00 0.00 O ATOM 895 CB ARG A 62 9.554 1.361 -9.701 1.00 0.00 C ATOM 896 CG ARG A 62 9.306 1.300 -11.210 1.00 0.00 C ATOM 897 CD ARG A 62 10.003 0.088 -11.831 1.00 0.00 C ATOM 898 NE ARG A 62 9.195 -0.440 -12.953 1.00 0.00 N ATOM 899 CZ ARG A 62 9.133 0.126 -14.166 1.00 0.00 C ATOM 900 NH1 ARG A 62 9.831 1.241 -14.421 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.374 -0.423 -15.124 1.00 0.00 N ATOM 0 H ARG A 62 10.795 2.656 -7.985 1.00 0.00 H new ATOM 0 HA ARG A 62 8.963 3.415 -9.907 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.621 1.269 -9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.064 0.518 -9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.235 1.247 -11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.670 2.214 -11.679 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.994 0.371 -12.187 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.144 -0.687 -11.077 1.00 0.00 H new ATOM 0 HE ARG A 62 8.651 -1.288 -12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.409 1.659 -13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.784 1.672 -15.344 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.843 -1.272 -14.930 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.327 0.008 -16.047 1.00 0.00 H new ATOM 915 N LEU A 63 7.626 1.721 -7.399 1.00 0.00 N ATOM 916 CA LEU A 63 6.377 1.419 -6.721 1.00 0.00 C ATOM 917 C LEU A 63 5.628 2.722 -6.435 1.00 0.00 C ATOM 918 O LEU A 63 4.483 2.887 -6.853 1.00 0.00 O ATOM 919 CB LEU A 63 6.637 0.572 -5.472 1.00 0.00 C ATOM 920 CG LEU A 63 5.606 0.700 -4.349 1.00 0.00 C ATOM 921 CD1 LEU A 63 4.193 0.426 -4.868 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.968 -0.201 -3.167 1.00 0.00 C ATOM 0 H LEU A 63 8.459 1.342 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 63 5.733 0.815 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.691 -0.475 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.615 0.840 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 63 5.622 1.728 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.480 0.524 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.947 1.143 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.144 -0.585 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.219 -0.091 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.998 -1.239 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.945 0.084 -2.778 1.00 0.00 H new ATOM 934 N VAL A 64 6.305 3.613 -5.726 1.00 0.00 N ATOM 935 CA VAL A 64 5.717 4.896 -5.380 1.00 0.00 C ATOM 936 C VAL A 64 5.273 5.610 -6.658 1.00 0.00 C ATOM 937 O VAL A 64 4.131 6.058 -6.758 1.00 0.00 O ATOM 938 CB VAL A 64 6.706 5.717 -4.550 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.045 6.986 -4.008 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.297 4.879 -3.414 1.00 0.00 C ATOM 0 H VAL A 64 7.255 3.472 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 64 4.831 4.756 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 64 7.524 6.018 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.769 7.552 -3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.695 7.597 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.199 6.714 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.997 5.486 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.495 4.534 -2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.821 4.019 -3.831 1.00 0.00 H new ATOM 950 N GLU A 65 6.197 5.693 -7.603 1.00 0.00 N ATOM 951 CA GLU A 65 5.915 6.345 -8.871 1.00 0.00 C ATOM 952 C GLU A 65 4.681 5.721 -9.525 1.00 0.00 C ATOM 953 O GLU A 65 3.769 6.433 -9.944 1.00 0.00 O ATOM 954 CB GLU A 65 7.125 6.275 -9.805 1.00 0.00 C ATOM 955 CG GLU A 65 8.212 7.260 -9.368 1.00 0.00 C ATOM 956 CD GLU A 65 8.265 8.469 -10.304 1.00 0.00 C ATOM 957 OE1 GLU A 65 8.639 8.261 -11.479 1.00 0.00 O ATOM 958 OE2 GLU A 65 7.930 9.573 -9.824 1.00 0.00 O ATOM 0 H GLU A 65 7.142 5.320 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 65 5.707 7.397 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.527 5.262 -9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.815 6.499 -10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.017 7.593 -8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.180 6.759 -9.360 1.00 0.00 H new ATOM 965 N GLU A 66 4.691 4.398 -9.592 1.00 0.00 N ATOM 966 CA GLU A 66 3.584 3.670 -10.188 1.00 0.00 C ATOM 967 C GLU A 66 2.259 4.119 -9.570 1.00 0.00 C ATOM 968 O GLU A 66 1.371 4.597 -10.274 1.00 0.00 O ATOM 969 CB GLU A 66 3.776 2.160 -10.037 1.00 0.00 C ATOM 970 CG GLU A 66 4.816 1.637 -11.029 1.00 0.00 C ATOM 971 CD GLU A 66 4.175 0.696 -12.052 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.164 1.118 -12.655 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.709 -0.423 -12.207 1.00 0.00 O ATOM 0 H GLU A 66 5.449 3.811 -9.243 1.00 0.00 H new ATOM 0 HA GLU A 66 3.559 3.895 -11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.091 1.930 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.826 1.651 -10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.285 2.475 -11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.605 1.112 -10.491 1.00 0.00 H new ATOM 980 N VAL A 67 2.167 3.949 -8.259 1.00 0.00 N ATOM 981 CA VAL A 67 0.965 4.331 -7.537 1.00 0.00 C ATOM 982 C VAL A 67 0.584 5.765 -7.913 1.00 0.00 C ATOM 983 O VAL A 67 -0.581 6.050 -8.186 1.00 0.00 O ATOM 984 CB VAL A 67 1.175 4.143 -6.033 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.033 4.648 -5.243 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.475 2.680 -5.701 1.00 0.00 C ATOM 0 H VAL A 67 2.905 3.552 -7.678 1.00 0.00 H new ATOM 0 HA VAL A 67 0.131 3.688 -7.817 1.00 0.00 H new ATOM 0 HB VAL A 67 2.039 4.738 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.143 4.502 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.182 5.709 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.922 4.093 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.620 2.573 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.639 2.056 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.380 2.367 -6.222 1.00 0.00 H new ATOM 996 N LYS A 68 1.588 6.629 -7.914 1.00 0.00 N ATOM 997 CA LYS A 68 1.373 8.026 -8.251 1.00 0.00 C ATOM 998 C LYS A 68 0.391 8.118 -9.421 1.00 0.00 C ATOM 999 O LYS A 68 -0.433 9.030 -9.475 1.00 0.00 O ATOM 1000 CB LYS A 68 2.708 8.726 -8.513 1.00 0.00 C ATOM 1001 CG LYS A 68 2.839 9.992 -7.664 1.00 0.00 C ATOM 1002 CD LYS A 68 3.975 9.856 -6.649 1.00 0.00 C ATOM 1003 CE LYS A 68 3.556 8.975 -5.470 1.00 0.00 C ATOM 1004 NZ LYS A 68 2.175 9.297 -5.048 1.00 0.00 N ATOM 0 H LYS A 68 2.553 6.389 -7.687 1.00 0.00 H new ATOM 0 HA LYS A 68 0.921 8.555 -7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.530 8.046 -8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.787 8.982 -9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.025 10.850 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.901 10.183 -7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.851 9.427 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.263 10.843 -6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.621 7.924 -5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.242 9.123 -4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.063 9.085 -4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.988 10.307 -5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.502 8.726 -5.598 1.00 0.00 H new ATOM 1018 N GLU A 69 0.510 7.161 -10.329 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.357 7.122 -11.495 1.00 0.00 C ATOM 1020 C GLU A 69 -1.751 6.629 -11.103 1.00 0.00 C ATOM 1021 O GLU A 69 -2.756 7.194 -11.531 1.00 0.00 O ATOM 1022 CB GLU A 69 0.245 6.248 -12.597 1.00 0.00 C ATOM 1023 CG GLU A 69 1.596 6.799 -13.058 1.00 0.00 C ATOM 1024 CD GLU A 69 1.418 7.814 -14.189 1.00 0.00 C ATOM 1025 OE1 GLU A 69 0.623 7.510 -15.104 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.080 8.871 -14.112 1.00 0.00 O ATOM 0 H GLU A 69 1.194 6.406 -10.281 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.449 8.134 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.370 5.229 -12.230 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.440 6.200 -13.443 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.106 7.271 -12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.230 5.980 -13.396 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.767 5.579 -10.295 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.021 5.003 -9.841 1.00 0.00 C ATOM 1035 C LEU A 70 -3.925 6.116 -9.308 1.00 0.00 C ATOM 1036 O LEU A 70 -5.078 6.235 -9.720 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.762 3.884 -8.830 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.292 2.550 -9.412 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.221 1.473 -8.327 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.174 2.123 -10.587 1.00 0.00 C ATOM 0 H LEU A 70 -0.931 5.112 -9.943 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.548 4.534 -10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.013 4.231 -8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.680 3.709 -8.268 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.282 2.683 -9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.884 0.535 -8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.520 1.783 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.209 1.334 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.818 1.172 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.204 2.012 -10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.129 2.880 -11.370 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.368 6.904 -8.400 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.110 8.003 -7.806 1.00 0.00 C ATOM 1054 C CYS A 71 -3.982 9.220 -8.725 1.00 0.00 C ATOM 1055 O CYS A 71 -4.858 10.084 -8.741 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.630 8.308 -6.385 1.00 0.00 C ATOM 1057 SG CYS A 71 -4.801 9.445 -5.559 1.00 0.00 S ATOM 0 H CYS A 71 -2.411 6.803 -8.061 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.160 7.727 -7.712 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.545 7.383 -5.815 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.637 8.756 -6.416 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.339 10.231 -6.443 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.886 9.249 -9.467 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.633 10.345 -10.386 1.00 0.00 C ATOM 1065 C ASP A 72 -2.490 11.646 -9.594 1.00 0.00 C ATOM 1066 O ASP A 72 -3.193 12.620 -9.862 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.790 10.516 -11.372 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.706 11.760 -12.259 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.720 11.848 -13.022 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -4.631 12.595 -12.154 1.00 0.00 O ATOM 0 H ASP A 72 -2.162 8.531 -9.451 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.720 10.119 -10.937 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.836 9.635 -12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.724 10.551 -10.811 1.00 0.00 H new ATOM 1075 N GLY A 73 -1.577 11.621 -8.635 1.00 0.00 N ATOM 1076 CA GLY A 73 -1.334 12.786 -7.802 1.00 0.00 C ATOM 1077 C GLY A 73 -1.429 12.429 -6.318 1.00 0.00 C ATOM 1078 O GLY A 73 -1.919 13.221 -5.515 1.00 0.00 O ATOM 0 H GLY A 73 -0.996 10.812 -8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.346 13.193 -8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.059 13.565 -8.039 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.952 11.235 -5.997 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.977 10.763 -4.624 1.00 0.00 C ATOM 1084 C LEU A 74 0.318 11.179 -3.922 1.00 0.00 C ATOM 1085 O LEU A 74 1.292 11.548 -4.576 1.00 0.00 O ATOM 1086 CB LEU A 74 -1.243 9.257 -4.579 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.630 8.502 -3.398 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.453 8.712 -2.126 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.453 7.018 -3.728 1.00 0.00 C ATOM 0 H LEU A 74 -0.546 10.580 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.799 11.225 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.321 9.099 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.868 8.814 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 74 0.363 8.911 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.995 8.165 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.483 9.774 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.468 8.347 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.016 6.505 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.423 6.578 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.206 6.913 -4.590 1.00 0.00 H new ATOM 1101 N GLU A 75 0.286 11.107 -2.599 1.00 0.00 N ATOM 1102 CA GLU A 75 1.445 11.472 -1.802 1.00 0.00 C ATOM 1103 C GLU A 75 2.078 10.223 -1.184 1.00 0.00 C ATOM 1104 O GLU A 75 1.461 9.554 -0.357 1.00 0.00 O ATOM 1105 CB GLU A 75 1.069 12.487 -0.722 1.00 0.00 C ATOM 1106 CG GLU A 75 -0.041 11.943 0.180 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.499 13.002 1.186 1.00 0.00 C ATOM 1108 OE1 GLU A 75 0.325 13.893 1.486 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -1.662 12.896 1.631 1.00 0.00 O ATOM 0 H GLU A 75 -0.524 10.801 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 75 2.179 11.942 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.946 12.726 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.741 13.415 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.887 11.625 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.317 11.062 0.712 1.00 0.00 H new ATOM 1116 N LEU A 76 3.303 9.948 -1.610 1.00 0.00 N ATOM 1117 CA LEU A 76 4.027 8.792 -1.109 1.00 0.00 C ATOM 1118 C LEU A 76 5.530 9.046 -1.229 1.00 0.00 C ATOM 1119 O LEU A 76 5.988 9.631 -2.210 1.00 0.00 O ATOM 1120 CB LEU A 76 3.560 7.519 -1.818 1.00 0.00 C ATOM 1121 CG LEU A 76 4.006 6.198 -1.187 1.00 0.00 C ATOM 1122 CD1 LEU A 76 3.074 5.793 -0.044 1.00 0.00 C ATOM 1123 CD2 LEU A 76 4.127 5.099 -2.245 1.00 0.00 C ATOM 0 H LEU A 76 3.812 10.506 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 76 3.813 8.637 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.471 7.529 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.919 7.547 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 76 4.997 6.342 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.414 4.851 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.082 6.567 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.060 5.672 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.445 4.171 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.160 4.948 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.862 5.394 -2.994 1.00 0.00 H new ATOM 1135 N GLU A 77 6.257 8.595 -0.218 1.00 0.00 N ATOM 1136 CA GLU A 77 7.700 8.766 -0.197 1.00 0.00 C ATOM 1137 C GLU A 77 8.391 7.418 0.020 1.00 0.00 C ATOM 1138 O GLU A 77 7.803 6.499 0.587 1.00 0.00 O ATOM 1139 CB GLU A 77 8.117 9.776 0.873 1.00 0.00 C ATOM 1140 CG GLU A 77 7.056 9.882 1.970 1.00 0.00 C ATOM 1141 CD GLU A 77 7.470 10.897 3.038 1.00 0.00 C ATOM 1142 OE1 GLU A 77 8.605 10.757 3.543 1.00 0.00 O ATOM 1143 OE2 GLU A 77 6.643 11.789 3.325 1.00 0.00 O ATOM 0 H GLU A 77 5.874 8.111 0.594 1.00 0.00 H new ATOM 0 HA GLU A 77 8.014 9.161 -1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.069 9.475 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.271 10.753 0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.103 10.178 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.905 8.906 2.430 1.00 0.00 H new ATOM 1150 N ASN A 78 9.631 7.344 -0.442 1.00 0.00 N ATOM 1151 CA ASN A 78 10.409 6.125 -0.305 1.00 0.00 C ATOM 1152 C ASN A 78 10.328 5.633 1.141 1.00 0.00 C ATOM 1153 O ASN A 78 10.359 4.430 1.394 1.00 0.00 O ATOM 1154 CB ASN A 78 11.882 6.370 -0.639 1.00 0.00 C ATOM 1155 CG ASN A 78 12.035 6.951 -2.047 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.692 6.333 -3.042 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.568 8.169 -2.074 1.00 0.00 N ATOM 0 H ASN A 78 10.116 8.109 -0.912 1.00 0.00 H new ATOM 0 HA ASN A 78 10.001 5.386 -0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.315 7.055 0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.436 5.434 -0.566 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.712 8.643 -2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.833 8.629 -1.203 1.00 0.00 H new ATOM 1164 N GLU A 79 10.226 6.589 2.053 1.00 0.00 N ATOM 1165 CA GLU A 79 10.141 6.268 3.468 1.00 0.00 C ATOM 1166 C GLU A 79 8.938 5.360 3.734 1.00 0.00 C ATOM 1167 O GLU A 79 9.048 4.377 4.465 1.00 0.00 O ATOM 1168 CB GLU A 79 10.066 7.540 4.315 1.00 0.00 C ATOM 1169 CG GLU A 79 11.339 7.723 5.143 1.00 0.00 C ATOM 1170 CD GLU A 79 11.024 8.357 6.500 1.00 0.00 C ATOM 1171 OE1 GLU A 79 10.524 7.614 7.371 1.00 0.00 O ATOM 1172 OE2 GLU A 79 11.291 9.571 6.634 1.00 0.00 O ATOM 0 H GLU A 79 10.200 7.586 1.840 1.00 0.00 H new ATOM 0 HA GLU A 79 11.046 5.733 3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.922 8.405 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.201 7.490 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.822 6.757 5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.044 8.351 4.599 1.00 0.00 H new ATOM 1179 N ASP A 80 7.818 5.722 3.127 1.00 0.00 N ATOM 1180 CA ASP A 80 6.596 4.953 3.290 1.00 0.00 C ATOM 1181 C ASP A 80 6.863 3.495 2.910 1.00 0.00 C ATOM 1182 O ASP A 80 6.370 2.578 3.566 1.00 0.00 O ATOM 1183 CB ASP A 80 5.486 5.483 2.380 1.00 0.00 C ATOM 1184 CG ASP A 80 4.948 6.865 2.755 1.00 0.00 C ATOM 1185 OD1 ASP A 80 4.959 7.169 3.967 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.538 7.587 1.820 1.00 0.00 O ATOM 0 H ASP A 80 7.731 6.538 2.521 1.00 0.00 H new ATOM 0 HA ASP A 80 6.280 5.037 4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.862 5.521 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.659 4.773 2.389 1.00 0.00 H new ATOM 1191 N VAL A 81 7.641 3.325 1.851 1.00 0.00 N ATOM 1192 CA VAL A 81 7.979 1.994 1.376 1.00 0.00 C ATOM 1193 C VAL A 81 8.882 1.305 2.402 1.00 0.00 C ATOM 1194 O VAL A 81 8.723 0.116 2.674 1.00 0.00 O ATOM 1195 CB VAL A 81 8.611 2.080 -0.014 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.935 0.686 -0.556 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.708 2.848 -0.981 1.00 0.00 C ATOM 0 H VAL A 81 8.047 4.087 1.308 1.00 0.00 H new ATOM 0 HA VAL A 81 7.081 1.385 1.273 1.00 0.00 H new ATOM 0 HB VAL A 81 9.548 2.630 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.383 0.775 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.634 0.188 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.018 0.100 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.181 2.894 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.748 2.338 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.550 3.859 -0.606 1.00 0.00 H new ATOM 1207 N TYR A 82 9.810 2.082 2.942 1.00 0.00 N ATOM 1208 CA TYR A 82 10.738 1.561 3.932 1.00 0.00 C ATOM 1209 C TYR A 82 10.014 1.221 5.237 1.00 0.00 C ATOM 1210 O TYR A 82 10.549 0.498 6.077 1.00 0.00 O ATOM 1211 CB TYR A 82 11.744 2.683 4.198 1.00 0.00 C ATOM 1212 CG TYR A 82 12.508 3.141 2.954 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.427 2.410 1.786 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.277 4.286 3.000 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.146 2.842 0.615 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.996 4.717 1.829 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.895 3.974 0.695 1.00 0.00 C ATOM 1218 OH TYR A 82 14.574 4.381 -0.411 1.00 0.00 O ATOM 0 H TYR A 82 9.939 3.068 2.713 1.00 0.00 H new ATOM 0 HA TYR A 82 11.214 0.650 3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.216 3.537 4.623 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.460 2.345 4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.825 1.514 1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 82 13.340 4.859 3.914 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.091 2.280 -0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.602 5.611 1.851 1.00 0.00 H new ATOM 0 HH TYR A 82 15.065 5.204 -0.209 1.00 0.00 H new ATOM 1228 N MET A 83 8.810 1.758 5.365 1.00 0.00 N ATOM 1229 CA MET A 83 8.008 1.521 6.554 1.00 0.00 C ATOM 1230 C MET A 83 7.081 0.319 6.358 1.00 0.00 C ATOM 1231 O MET A 83 7.004 -0.557 7.219 1.00 0.00 O ATOM 1232 CB MET A 83 7.173 2.765 6.863 1.00 0.00 C ATOM 1233 CG MET A 83 6.175 2.489 7.990 1.00 0.00 C ATOM 1234 SD MET A 83 7.046 2.022 9.476 1.00 0.00 S ATOM 1235 CE MET A 83 5.856 0.902 10.194 1.00 0.00 C ATOM 0 H MET A 83 8.370 2.356 4.666 1.00 0.00 H new ATOM 0 HA MET A 83 8.679 1.308 7.386 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.830 3.587 7.147 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.638 3.080 5.967 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.570 3.376 8.177 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.491 1.694 7.694 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.244 0.514 11.136 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.921 1.432 10.377 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.675 0.074 9.508 1.00 0.00 H new ATOM 1245 N ALA A 84 6.400 0.316 5.222 1.00 0.00 N ATOM 1246 CA ALA A 84 5.481 -0.763 4.902 1.00 0.00 C ATOM 1247 C ALA A 84 6.014 -1.541 3.697 1.00 0.00 C ATOM 1248 O ALA A 84 5.604 -1.295 2.564 1.00 0.00 O ATOM 1249 CB ALA A 84 4.085 -0.189 4.654 1.00 0.00 C ATOM 0 H ALA A 84 6.466 1.044 4.511 1.00 0.00 H new ATOM 0 HA ALA A 84 5.403 -1.460 5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.396 -0.999 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.740 0.328 5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.123 0.514 3.822 1.00 0.00 H new ATOM 1255 N SER A 85 6.920 -2.465 3.983 1.00 0.00 N ATOM 1256 CA SER A 85 7.513 -3.280 2.937 1.00 0.00 C ATOM 1257 C SER A 85 6.495 -4.303 2.430 1.00 0.00 C ATOM 1258 O SER A 85 6.517 -4.677 1.259 1.00 0.00 O ATOM 1259 CB SER A 85 8.773 -3.989 3.439 1.00 0.00 C ATOM 1260 OG SER A 85 8.513 -4.787 4.591 1.00 0.00 O ATOM 0 H SER A 85 7.258 -2.667 4.924 1.00 0.00 H new ATOM 0 HA SER A 85 7.800 -2.625 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.176 -4.618 2.645 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.536 -3.248 3.676 1.00 0.00 H new ATOM 0 HG SER A 85 9.300 -5.334 4.794 1.00 0.00 H new ATOM 1266 N THR A 86 5.627 -4.726 3.337 1.00 0.00 N ATOM 1267 CA THR A 86 4.602 -5.698 2.997 1.00 0.00 C ATOM 1268 C THR A 86 3.386 -4.999 2.386 1.00 0.00 C ATOM 1269 O THR A 86 3.016 -3.905 2.810 1.00 0.00 O ATOM 1270 CB THR A 86 4.273 -6.499 4.258 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.302 -5.531 5.302 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.382 -7.485 4.632 1.00 0.00 C ATOM 0 H THR A 86 5.612 -4.413 4.308 1.00 0.00 H new ATOM 0 HA THR A 86 4.954 -6.394 2.235 1.00 0.00 H new ATOM 0 HB THR A 86 3.340 -7.042 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.097 -5.965 6.156 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.098 -8.027 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.531 -8.191 3.815 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.308 -6.939 4.814 1.00 0.00 H new ATOM 1280 N PHE A 87 2.797 -5.659 1.399 1.00 0.00 N ATOM 1281 CA PHE A 87 1.631 -5.115 0.726 1.00 0.00 C ATOM 1282 C PHE A 87 0.527 -4.776 1.730 1.00 0.00 C ATOM 1283 O PHE A 87 0.143 -3.615 1.867 1.00 0.00 O ATOM 1284 CB PHE A 87 1.120 -6.196 -0.229 1.00 0.00 C ATOM 1285 CG PHE A 87 -0.018 -5.734 -1.141 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.257 -5.001 -2.253 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.304 -6.057 -0.840 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.800 -4.572 -3.099 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.361 -5.628 -1.686 1.00 0.00 C ATOM 1290 CZ PHE A 87 -2.086 -4.895 -2.798 1.00 0.00 C ATOM 0 H PHE A 87 3.106 -6.566 1.050 1.00 0.00 H new ATOM 0 HA PHE A 87 1.900 -4.200 0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.949 -6.542 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.779 -7.051 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.279 -4.745 -2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.522 -6.640 0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.582 -3.989 -3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.383 -5.884 -1.446 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.889 -4.569 -3.442 1.00 0.00 H new ATOM 1300 N GLY A 88 0.048 -5.810 2.406 1.00 0.00 N ATOM 1301 CA GLY A 88 -1.005 -5.636 3.393 1.00 0.00 C ATOM 1302 C GLY A 88 -0.815 -4.333 4.172 1.00 0.00 C ATOM 1303 O GLY A 88 -1.713 -3.492 4.210 1.00 0.00 O ATOM 0 H GLY A 88 0.369 -6.771 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.976 -5.629 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.005 -6.480 4.083 1.00 0.00 H new ATOM 1307 N ASP A 89 0.358 -4.206 4.774 1.00 0.00 N ATOM 1308 CA ASP A 89 0.676 -3.019 5.550 1.00 0.00 C ATOM 1309 C ASP A 89 0.613 -1.789 4.642 1.00 0.00 C ATOM 1310 O ASP A 89 -0.080 -0.821 4.950 1.00 0.00 O ATOM 1311 CB ASP A 89 2.089 -3.105 6.133 1.00 0.00 C ATOM 1312 CG ASP A 89 2.274 -2.409 7.483 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.353 -2.537 8.318 1.00 0.00 O ATOM 1314 OD2 ASP A 89 3.333 -1.766 7.649 1.00 0.00 O ATOM 0 H ASP A 89 1.100 -4.905 4.740 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.046 -2.944 6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.357 -4.156 6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.788 -2.671 5.418 1.00 0.00 H new ATOM 1319 N PHE A 90 1.347 -1.867 3.541 1.00 0.00 N ATOM 1320 CA PHE A 90 1.383 -0.773 2.587 1.00 0.00 C ATOM 1321 C PHE A 90 -0.030 -0.285 2.258 1.00 0.00 C ATOM 1322 O PHE A 90 -0.352 0.883 2.469 1.00 0.00 O ATOM 1323 CB PHE A 90 2.033 -1.312 1.311 1.00 0.00 C ATOM 1324 CG PHE A 90 2.267 -0.251 0.235 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.388 0.518 0.270 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.353 -0.076 -0.758 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.605 1.503 -0.729 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.571 0.909 -1.757 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.692 1.678 -1.722 1.00 0.00 C ATOM 0 H PHE A 90 1.921 -2.672 3.289 1.00 0.00 H new ATOM 0 HA PHE A 90 1.940 0.065 3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.988 -1.771 1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.402 -2.099 0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.113 0.379 1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.462 -0.686 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.495 2.114 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.846 1.048 -2.545 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.857 2.427 -2.482 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.835 -1.205 1.747 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.205 -0.883 1.387 1.00 0.00 C ATOM 1341 C ILE A 91 -2.809 0.028 2.458 1.00 0.00 C ATOM 1342 O ILE A 91 -3.285 1.120 2.152 1.00 0.00 O ATOM 1343 CB ILE A 91 -3.010 -2.162 1.144 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.562 -2.854 -0.145 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.512 -1.874 1.147 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.829 -1.970 -1.364 1.00 0.00 C ATOM 0 H ILE A 91 -0.565 -2.173 1.574 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.232 -0.332 0.447 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.813 -2.851 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.499 -3.087 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.090 -3.801 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.060 -2.800 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.801 -1.458 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.747 -1.159 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.501 -2.486 -2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.896 -1.759 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.280 -1.034 -1.262 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.769 -0.454 3.691 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.306 0.303 4.809 1.00 0.00 C ATOM 1360 C GLN A 92 -2.784 1.741 4.775 1.00 0.00 C ATOM 1361 O GLN A 92 -3.556 2.689 4.914 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.970 -0.371 6.140 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.583 -1.770 6.217 1.00 0.00 C ATOM 1364 CD GLN A 92 -5.072 -1.698 6.562 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.505 -0.921 7.396 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -5.828 -2.549 5.874 1.00 0.00 N ATOM 0 H GLN A 92 -2.373 -1.360 3.941 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.392 0.329 4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.888 -0.437 6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.341 0.238 6.964 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.451 -2.282 5.264 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.060 -2.359 6.970 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.400 -3.173 5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.835 -2.578 6.031 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.478 1.859 4.588 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.844 3.165 4.534 1.00 0.00 C ATOM 1377 C LEU A 93 -1.346 3.920 3.301 1.00 0.00 C ATOM 1378 O LEU A 93 -1.704 5.093 3.391 1.00 0.00 O ATOM 1379 CB LEU A 93 0.679 3.024 4.592 1.00 0.00 C ATOM 1380 CG LEU A 93 1.477 4.026 3.754 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.713 4.512 4.513 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.837 3.436 2.390 1.00 0.00 C ATOM 0 H LEU A 93 -0.841 1.071 4.472 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.119 3.759 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.994 3.118 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.944 2.017 4.268 1.00 0.00 H new ATOM 0 HG LEU A 93 0.848 4.897 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.263 5.223 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.404 4.998 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.354 3.662 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.404 4.168 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.440 2.539 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.924 3.180 1.852 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.354 3.216 2.179 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.806 3.805 0.930 1.00 0.00 C ATOM 1396 C LEU A 94 -3.250 4.284 1.090 1.00 0.00 C ATOM 1397 O LEU A 94 -3.540 5.465 0.905 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.609 2.824 -0.228 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.503 3.041 -1.450 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -1.937 4.137 -2.355 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.723 1.729 -2.208 1.00 0.00 C ATOM 0 H LEU A 94 -1.055 2.243 2.109 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.205 4.680 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.569 2.877 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.777 1.814 0.145 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.479 3.381 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.591 4.272 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.873 5.072 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.942 3.850 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.362 1.911 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.763 1.337 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.201 1.004 -1.549 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.118 3.344 1.433 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.525 3.655 1.620 1.00 0.00 C ATOM 1415 C VAL A 95 -5.654 4.918 2.473 1.00 0.00 C ATOM 1416 O VAL A 95 -6.483 5.782 2.189 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.252 2.451 2.221 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.685 2.816 2.615 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.235 1.263 1.257 1.00 0.00 C ATOM 0 H VAL A 95 -3.874 2.366 1.586 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.002 3.860 0.661 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.720 2.156 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.179 1.942 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.666 3.617 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.231 3.149 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.758 0.420 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.731 1.542 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.204 0.979 1.047 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.821 4.987 3.501 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.831 6.130 4.398 1.00 0.00 C ATOM 1431 C ARG A 96 -4.504 7.412 3.628 1.00 0.00 C ATOM 1432 O ARG A 96 -5.116 8.453 3.859 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.819 5.951 5.531 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.458 5.249 6.731 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.976 5.865 8.046 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.943 5.571 9.127 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.649 5.622 10.433 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -3.413 5.955 10.829 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -5.591 5.340 11.344 1.00 0.00 N ATOM 0 H ARG A 96 -4.134 4.269 3.733 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.830 6.205 4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.969 5.369 5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.434 6.924 5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.543 5.325 6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.211 4.188 6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.995 5.467 8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.862 6.943 7.932 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.893 5.313 8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.696 6.170 10.136 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.189 5.994 11.823 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.532 5.086 11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.367 5.379 12.338 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.538 7.293 2.729 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.122 8.428 1.924 1.00 0.00 C ATOM 1455 C LYS A 97 -4.231 8.778 0.930 1.00 0.00 C ATOM 1456 O LYS A 97 -4.502 9.952 0.683 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.770 8.150 1.263 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.649 8.111 2.304 1.00 0.00 C ATOM 1459 CD LYS A 97 0.348 6.992 1.995 1.00 0.00 C ATOM 1460 CE LYS A 97 1.639 7.170 2.796 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.334 7.386 4.228 1.00 0.00 N ATOM 0 H LYS A 97 -3.032 6.428 2.541 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.969 9.305 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.810 7.200 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.557 8.921 0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.131 9.070 2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.074 7.960 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.100 6.026 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.575 6.987 0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.270 6.288 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.202 8.018 2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.160 7.122 4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.108 8.389 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.520 6.800 4.502 1.00 0.00 H new ATOM 1475 N LEU A 98 -4.844 7.737 0.386 1.00 0.00 N ATOM 1476 CA LEU A 98 -5.918 7.919 -0.576 1.00 0.00 C ATOM 1477 C LEU A 98 -7.093 8.622 0.106 1.00 0.00 C ATOM 1478 O LEU A 98 -7.480 9.719 -0.293 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.291 6.583 -1.221 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.396 6.120 -2.372 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.874 4.780 -2.935 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -5.298 7.195 -3.457 1.00 0.00 C ATOM 0 H LEU A 98 -4.617 6.764 0.593 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.593 8.562 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.282 5.814 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.315 6.653 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.391 5.964 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.220 4.474 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.849 4.025 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.894 4.884 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.656 6.841 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.292 7.406 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.876 8.105 -3.031 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.627 7.962 1.123 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.751 8.510 1.864 1.00 0.00 C ATOM 1496 C ARG A 99 -8.515 9.992 2.165 1.00 0.00 C ATOM 1497 O ARG A 99 -9.430 10.805 2.051 1.00 0.00 O ATOM 1498 CB ARG A 99 -8.964 7.757 3.178 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.556 6.369 2.925 1.00 0.00 C ATOM 1500 CD ARG A 99 -9.857 5.652 4.242 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.133 4.221 3.988 1.00 0.00 N ATOM 1502 CZ ARG A 99 -10.519 3.351 4.932 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -10.677 3.762 6.198 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -10.748 2.071 4.610 1.00 0.00 N ATOM 0 H ARG A 99 -7.302 7.053 1.452 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.642 8.398 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.014 7.661 3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.630 8.328 3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.471 6.461 2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.859 5.775 2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.011 5.752 4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.715 6.115 4.730 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.023 3.875 3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.504 4.737 6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.971 3.100 6.916 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.629 1.758 3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.042 1.409 5.328 1.00 0.00 H new ATOM 1518 N GLY A 100 -7.283 10.297 2.545 1.00 0.00 N ATOM 1519 CA GLY A 100 -6.915 11.666 2.864 1.00 0.00 C ATOM 1520 C GLY A 100 -6.586 12.455 1.595 1.00 0.00 C ATOM 1521 O GLY A 100 -7.329 12.402 0.616 1.00 0.00 O ATOM 0 H GLY A 100 -6.527 9.619 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.733 12.151 3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.054 11.669 3.532 1.00 0.00 H new ATOM 1525 N ASP A 101 -5.471 13.168 1.653 1.00 0.00 N ATOM 1526 CA ASP A 101 -5.033 13.967 0.521 1.00 0.00 C ATOM 1527 C ASP A 101 -6.224 14.750 -0.035 1.00 0.00 C ATOM 1528 O ASP A 101 -6.394 14.848 -1.250 1.00 0.00 O ATOM 1529 CB ASP A 101 -4.485 13.081 -0.599 1.00 0.00 C ATOM 1530 CG ASP A 101 -3.309 13.675 -1.376 1.00 0.00 C ATOM 1531 OD1 ASP A 101 -3.161 14.915 -1.322 1.00 0.00 O ATOM 1532 OD2 ASP A 101 -2.584 12.876 -2.007 1.00 0.00 O ATOM 0 H ASP A 101 -4.857 13.209 2.467 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.247 14.639 0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.173 12.129 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.292 12.866 -1.299 1.00 0.00 H new ATOM 1537 N ASP A 102 -7.018 15.287 0.880 1.00 0.00 N ATOM 1538 CA ASP A 102 -8.188 16.058 0.496 1.00 0.00 C ATOM 1539 C ASP A 102 -8.424 17.165 1.525 1.00 0.00 C ATOM 1540 O ASP A 102 -9.074 16.941 2.545 1.00 0.00 O ATOM 1541 CB ASP A 102 -9.438 15.178 0.453 1.00 0.00 C ATOM 1542 CG ASP A 102 -10.713 15.887 -0.007 1.00 0.00 C ATOM 1543 OD1 ASP A 102 -10.591 17.058 -0.429 1.00 0.00 O ATOM 1544 OD2 ASP A 102 -11.782 15.243 0.074 1.00 0.00 O ATOM 0 H ASP A 102 -6.874 15.203 1.886 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.007 16.475 -0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.248 14.336 -0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.608 14.766 1.448 1.00 0.00 H new ATOM 1549 N GLU A 103 -7.883 18.336 1.222 1.00 0.00 N ATOM 1550 CA GLU A 103 -8.027 19.479 2.108 1.00 0.00 C ATOM 1551 C GLU A 103 -7.493 20.744 1.434 1.00 0.00 C ATOM 1552 O GLU A 103 -6.874 20.673 0.374 1.00 0.00 O ATOM 1553 CB GLU A 103 -7.322 19.229 3.443 1.00 0.00 C ATOM 1554 CG GLU A 103 -8.300 18.686 4.486 1.00 0.00 C ATOM 1555 CD GLU A 103 -8.025 19.291 5.864 1.00 0.00 C ATOM 1556 OE1 GLU A 103 -8.335 20.491 6.029 1.00 0.00 O ATOM 1557 OE2 GLU A 103 -7.511 18.541 6.721 1.00 0.00 O ATOM 0 H GLU A 103 -7.344 18.518 0.375 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.087 19.622 2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.506 18.520 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.878 20.157 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.322 18.912 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.216 17.601 4.538 1.00 0.00 H new ATOM 1564 N GLU A 104 -7.752 21.873 2.077 1.00 0.00 N ATOM 1565 CA GLU A 104 -7.305 23.153 1.553 1.00 0.00 C ATOM 1566 C GLU A 104 -6.238 23.757 2.468 1.00 0.00 C ATOM 1567 O GLU A 104 -5.967 23.229 3.545 1.00 0.00 O ATOM 1568 CB GLU A 104 -8.482 24.113 1.374 1.00 0.00 C ATOM 1569 CG GLU A 104 -9.108 24.470 2.724 1.00 0.00 C ATOM 1570 CD GLU A 104 -9.567 25.930 2.747 1.00 0.00 C ATOM 1571 OE1 GLU A 104 -10.674 26.185 2.226 1.00 0.00 O ATOM 1572 OE2 GLU A 104 -8.800 26.757 3.285 1.00 0.00 O ATOM 0 H GLU A 104 -8.266 21.928 2.956 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.862 22.987 0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.143 25.021 0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.234 23.657 0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.957 23.815 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.384 24.300 3.521 1.00 0.00 H new ATOM 1579 N SER A 105 -5.661 24.856 2.004 1.00 0.00 N ATOM 1580 CA SER A 105 -4.629 25.538 2.767 1.00 0.00 C ATOM 1581 C SER A 105 -4.542 27.004 2.337 1.00 0.00 C ATOM 1582 O SER A 105 -5.156 27.401 1.348 1.00 0.00 O ATOM 1583 CB SER A 105 -3.272 24.853 2.594 1.00 0.00 C ATOM 1584 OG SER A 105 -2.530 24.823 3.810 1.00 0.00 O ATOM 0 H SER A 105 -5.888 25.291 1.110 1.00 0.00 H new ATOM 0 HA SER A 105 -4.897 25.491 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.423 23.834 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.696 25.377 1.831 1.00 0.00 H new ATOM 0 HG SER A 105 -1.671 24.376 3.658 1.00 0.00 H new ATOM 1590 N GLY A 106 -3.775 27.767 3.101 1.00 0.00 N ATOM 1591 CA GLY A 106 -3.600 29.180 2.810 1.00 0.00 C ATOM 1592 C GLY A 106 -2.126 29.580 2.900 1.00 0.00 C ATOM 1593 O GLY A 106 -1.258 28.729 3.088 1.00 0.00 O ATOM 0 H GLY A 106 -3.268 27.434 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.980 29.399 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.185 29.775 3.511 1.00 0.00 H new ATOM 1597 N PRO A 107 -1.882 30.910 2.757 1.00 0.00 N ATOM 1598 CA PRO A 107 -0.528 31.434 2.820 1.00 0.00 C ATOM 1599 C PRO A 107 -0.016 31.459 4.262 1.00 0.00 C ATOM 1600 O PRO A 107 -0.794 31.643 5.197 1.00 0.00 O ATOM 1601 CB PRO A 107 -0.611 32.816 2.194 1.00 0.00 C ATOM 1602 CG PRO A 107 -2.081 33.202 2.228 1.00 0.00 C ATOM 1603 CD PRO A 107 -2.884 31.948 2.533 1.00 0.00 C ATOM 0 HA PRO A 107 0.189 30.812 2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.006 33.533 2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -0.234 32.805 1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.258 33.963 2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.386 33.628 1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.514 32.086 3.411 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.544 31.689 1.705 1.00 0.00 H new ATOM 1611 N SER A 108 1.288 31.272 4.396 1.00 0.00 N ATOM 1612 CA SER A 108 1.913 31.272 5.708 1.00 0.00 C ATOM 1613 C SER A 108 1.221 30.254 6.617 1.00 0.00 C ATOM 1614 O SER A 108 0.166 29.723 6.271 1.00 0.00 O ATOM 1615 CB SER A 108 1.868 32.664 6.341 1.00 0.00 C ATOM 1616 OG SER A 108 3.118 33.339 6.235 1.00 0.00 O ATOM 0 H SER A 108 1.930 31.119 3.618 1.00 0.00 H new ATOM 0 HA SER A 108 2.959 30.991 5.587 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.093 33.258 5.856 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.592 32.576 7.392 1.00 0.00 H new ATOM 0 HG SER A 108 3.048 34.224 6.649 1.00 0.00 H new ATOM 1622 N SER A 109 1.842 30.012 7.762 1.00 0.00 N ATOM 1623 CA SER A 109 1.298 29.067 8.723 1.00 0.00 C ATOM 1624 C SER A 109 -0.103 29.506 9.154 1.00 0.00 C ATOM 1625 O SER A 109 -0.429 30.690 9.102 1.00 0.00 O ATOM 1626 CB SER A 109 2.212 28.936 9.943 1.00 0.00 C ATOM 1627 OG SER A 109 2.180 30.102 10.762 1.00 0.00 O ATOM 0 H SER A 109 2.716 30.454 8.046 1.00 0.00 H new ATOM 0 HA SER A 109 1.234 28.090 8.244 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.908 28.071 10.532 1.00 0.00 H new ATOM 0 HB3 SER A 109 3.234 28.753 9.612 1.00 0.00 H new ATOM 0 HG SER A 109 2.775 29.978 11.531 1.00 0.00 H new ATOM 1633 N GLY A 110 -0.893 28.527 9.569 1.00 0.00 N ATOM 1634 CA GLY A 110 -2.252 28.797 10.008 1.00 0.00 C ATOM 1635 C GLY A 110 -2.276 29.240 11.472 1.00 0.00 C ATOM 1636 O GLY A 110 -3.241 29.857 11.921 1.00 0.00 O ATOM 0 H GLY A 110 -0.618 27.546 9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.693 29.573 9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.863 27.903 9.885 1.00 0.00 H new TER 1640 GLY A 110