USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc= -0.122 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.106 USER MOD Set 2.1: A 3 LYS NZ :NH3+ -160:sc= 0.0236 (180deg=0) USER MOD Set 2.2: A 65 GLN : amide:sc= 0.0256 X(o=0.049,f=-0.13) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -0.107 (180deg=-0.544) USER MOD Single : A 38 TYR OH : rot -162:sc= 0.467 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.170 8.448 -7.223 1.00 0.00 N ATOM 21 CA VAL A 2 -7.562 7.631 -6.129 1.00 0.00 C ATOM 22 C VAL A 2 -6.486 6.708 -6.698 1.00 0.00 C ATOM 23 O VAL A 2 -6.752 5.870 -7.537 1.00 0.00 O ATOM 24 CB VAL A 2 -8.709 6.809 -5.529 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.604 7.722 -4.689 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.541 6.166 -6.645 1.00 0.00 C ATOM 0 HA VAL A 2 -7.086 8.258 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.291 6.023 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.420 7.139 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.017 8.168 -3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.013 8.511 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.352 5.585 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.957 6.945 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.906 5.510 -7.240 1.00 0.00 H new ATOM 36 N LYS A 3 -5.269 6.856 -6.253 1.00 0.00 N ATOM 37 CA LYS A 3 -4.178 5.987 -6.773 1.00 0.00 C ATOM 38 C LYS A 3 -3.236 5.575 -5.642 1.00 0.00 C ATOM 39 O LYS A 3 -2.801 6.394 -4.856 1.00 0.00 O ATOM 40 CB LYS A 3 -3.435 6.854 -7.788 1.00 0.00 C ATOM 41 CG LYS A 3 -3.881 6.480 -9.200 1.00 0.00 C ATOM 42 CD LYS A 3 -4.362 7.734 -9.930 1.00 0.00 C ATOM 43 CE LYS A 3 -5.889 7.708 -10.032 1.00 0.00 C ATOM 44 NZ LYS A 3 -6.183 8.028 -11.455 1.00 0.00 N ATOM 0 H LYS A 3 -4.984 7.540 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.563 5.068 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.637 7.908 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.359 6.712 -7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.055 6.023 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.682 5.742 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.037 8.627 -9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.921 7.781 -10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.287 6.731 -9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.342 8.438 -9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.165 8.360 -11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.536 8.772 -11.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.054 7.175 -12.036 1.00 0.00 H new ATOM 58 N ILE A 4 -2.901 4.318 -5.565 1.00 0.00 N ATOM 59 CA ILE A 4 -1.972 3.869 -4.498 1.00 0.00 C ATOM 60 C ILE A 4 -0.567 3.731 -5.085 1.00 0.00 C ATOM 61 O ILE A 4 -0.382 3.189 -6.156 1.00 0.00 O ATOM 62 CB ILE A 4 -2.520 2.533 -4.009 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.845 2.774 -3.289 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.526 1.887 -3.042 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.586 1.450 -3.149 1.00 0.00 C ATOM 0 H ILE A 4 -3.230 3.586 -6.194 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.902 4.573 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.674 1.868 -4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.665 3.209 -2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.452 3.487 -3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.923 0.933 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.577 1.722 -3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.369 2.546 -2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.533 1.616 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.777 1.034 -4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.978 0.752 -2.573 1.00 0.00 H new ATOM 77 N ARG A 5 0.427 4.236 -4.408 1.00 0.00 N ATOM 78 CA ARG A 5 1.806 4.150 -4.952 1.00 0.00 C ATOM 79 C ARG A 5 2.829 4.117 -3.819 1.00 0.00 C ATOM 80 O ARG A 5 2.482 4.021 -2.664 1.00 0.00 O ATOM 81 CB ARG A 5 1.977 5.407 -5.803 1.00 0.00 C ATOM 82 CG ARG A 5 1.761 6.649 -4.936 1.00 0.00 C ATOM 83 CD ARG A 5 3.072 7.429 -4.827 1.00 0.00 C ATOM 84 NE ARG A 5 2.934 8.547 -5.805 1.00 0.00 N ATOM 85 CZ ARG A 5 3.696 9.613 -5.719 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.598 9.723 -4.776 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.551 10.578 -6.586 1.00 0.00 N ATOM 0 H ARG A 5 0.342 4.702 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 5 1.961 3.242 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.974 5.427 -6.243 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.265 5.399 -6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.986 7.279 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.415 6.358 -3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.225 7.805 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.928 6.798 -5.066 1.00 0.00 H new ATOM 0 HE ARG A 5 2.240 8.483 -6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.717 8.974 -4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.182 10.558 -4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.850 10.500 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.139 11.410 -6.527 1.00 0.00 H new ATOM 101 N LEU A 6 4.089 4.212 -4.144 1.00 0.00 N ATOM 102 CA LEU A 6 5.134 4.186 -3.085 1.00 0.00 C ATOM 103 C LEU A 6 5.404 5.601 -2.573 1.00 0.00 C ATOM 104 O LEU A 6 5.668 6.511 -3.334 1.00 0.00 O ATOM 105 CB LEU A 6 6.377 3.625 -3.779 1.00 0.00 C ATOM 106 CG LEU A 6 6.399 2.106 -3.628 1.00 0.00 C ATOM 107 CD1 LEU A 6 6.087 1.450 -4.974 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.784 1.660 -3.153 1.00 0.00 C ATOM 0 H LEU A 6 4.439 4.306 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 6 4.837 3.588 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.372 3.897 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.277 4.058 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 6 5.648 1.806 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.103 0.366 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.100 1.765 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.835 1.751 -5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.800 0.575 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.534 1.963 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.006 2.123 -2.192 1.00 0.00 H new ATOM 120 N ALA A 7 5.325 5.794 -1.284 1.00 0.00 N ATOM 121 CA ALA A 7 5.560 7.146 -0.710 1.00 0.00 C ATOM 122 C ALA A 7 6.983 7.260 -0.168 1.00 0.00 C ATOM 123 O ALA A 7 7.296 6.739 0.876 1.00 0.00 O ATOM 124 CB ALA A 7 4.558 7.241 0.435 1.00 0.00 C ATOM 0 H ALA A 7 5.106 5.068 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 7 5.440 7.938 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.655 8.210 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.547 7.132 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.755 6.449 1.157 1.00 0.00 H new ATOM 130 N ARG A 8 7.845 7.936 -0.872 1.00 0.00 N ATOM 131 CA ARG A 8 9.249 8.078 -0.399 1.00 0.00 C ATOM 132 C ARG A 8 9.335 9.028 0.800 1.00 0.00 C ATOM 133 O ARG A 8 9.015 10.196 0.700 1.00 0.00 O ATOM 134 CB ARG A 8 10.003 8.672 -1.588 1.00 0.00 C ATOM 135 CG ARG A 8 11.507 8.478 -1.387 1.00 0.00 C ATOM 136 CD ARG A 8 12.162 9.832 -1.101 1.00 0.00 C ATOM 137 NE ARG A 8 13.530 9.729 -1.685 1.00 0.00 N ATOM 138 CZ ARG A 8 13.704 9.654 -2.984 1.00 0.00 C ATOM 139 NH1 ARG A 8 12.681 9.674 -3.803 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.912 9.562 -3.468 1.00 0.00 N ATOM 0 H ARG A 8 7.637 8.398 -1.757 1.00 0.00 H new ATOM 0 HA ARG A 8 9.661 7.123 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.684 8.190 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.772 9.733 -1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.689 7.792 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.949 8.029 -2.276 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.599 10.647 -1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.204 10.032 -0.030 1.00 0.00 H new ATOM 0 HE ARG A 8 14.341 9.717 -1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.733 9.749 -3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.833 9.615 -4.810 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.714 9.549 -2.838 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.054 9.503 -4.476 1.00 0.00 H new ATOM 276 N TYR A 17 9.533 3.200 1.288 1.00 0.00 N ATOM 277 CA TYR A 17 8.333 3.904 0.795 1.00 0.00 C ATOM 278 C TYR A 17 7.108 3.159 1.289 1.00 0.00 C ATOM 279 O TYR A 17 7.166 1.967 1.508 1.00 0.00 O ATOM 280 CB TYR A 17 8.358 3.777 -0.720 1.00 0.00 C ATOM 281 CG TYR A 17 9.635 4.302 -1.313 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.835 3.618 -1.114 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.605 5.456 -2.099 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.010 4.094 -1.695 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.778 5.931 -2.685 1.00 0.00 C ATOM 286 CZ TYR A 17 11.986 5.251 -2.483 1.00 0.00 C ATOM 287 OH TYR A 17 13.149 5.718 -3.061 1.00 0.00 O ATOM 0 HA TYR A 17 8.312 4.942 1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.234 2.730 -0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.513 4.321 -1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.854 2.722 -0.511 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.674 5.980 -2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.940 3.569 -1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.755 6.823 -3.294 1.00 0.00 H new ATOM 0 HH TYR A 17 12.956 6.529 -3.576 1.00 0.00 H new ATOM 297 N ARG A 18 5.991 3.807 1.415 1.00 0.00 N ATOM 298 CA ARG A 18 4.785 3.051 1.827 1.00 0.00 C ATOM 299 C ARG A 18 3.873 2.940 0.618 1.00 0.00 C ATOM 300 O ARG A 18 3.955 3.728 -0.301 1.00 0.00 O ATOM 301 CB ARG A 18 4.115 3.850 2.941 1.00 0.00 C ATOM 302 CG ARG A 18 4.750 3.492 4.288 1.00 0.00 C ATOM 303 CD ARG A 18 3.657 3.365 5.351 1.00 0.00 C ATOM 304 NE ARG A 18 3.511 4.737 5.917 1.00 0.00 N ATOM 305 CZ ARG A 18 4.437 5.245 6.697 1.00 0.00 C ATOM 306 NH1 ARG A 18 5.501 4.553 7.017 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.292 6.454 7.162 1.00 0.00 N ATOM 0 H ARG A 18 5.861 4.806 1.255 1.00 0.00 H new ATOM 0 HA ARG A 18 5.020 2.049 2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.222 4.918 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.047 3.635 2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.301 2.555 4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.467 4.259 4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.721 3.016 4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.937 2.647 6.122 1.00 0.00 H new ATOM 0 HE ARG A 18 2.681 5.288 5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.620 3.605 6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.212 4.962 7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.464 6.998 6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.007 6.856 7.769 1.00 0.00 H new ATOM 321 N ILE A 19 2.985 2.004 0.620 1.00 0.00 N ATOM 322 CA ILE A 19 2.053 1.885 -0.517 1.00 0.00 C ATOM 323 C ILE A 19 0.795 2.565 -0.027 1.00 0.00 C ATOM 324 O ILE A 19 -0.118 1.955 0.492 1.00 0.00 O ATOM 325 CB ILE A 19 1.851 0.390 -0.797 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.054 -0.447 -0.321 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.709 0.183 -2.301 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.809 -1.921 -0.640 1.00 0.00 C ATOM 0 H ILE A 19 2.863 1.314 1.361 1.00 0.00 H new ATOM 0 HA ILE A 19 2.392 2.338 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 19 0.960 0.069 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.965 -0.105 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.200 -0.316 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.565 -0.877 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.849 0.745 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.611 0.533 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.660 -2.513 -0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.907 -2.259 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.684 -2.045 -1.716 1.00 0.00 H new ATOM 340 N VAL A 20 0.822 3.862 -0.089 1.00 0.00 N ATOM 341 CA VAL A 20 -0.271 4.679 0.469 1.00 0.00 C ATOM 342 C VAL A 20 -1.267 5.115 -0.616 1.00 0.00 C ATOM 343 O VAL A 20 -1.019 4.983 -1.796 1.00 0.00 O ATOM 344 CB VAL A 20 0.510 5.855 1.106 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.390 7.146 0.290 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.011 6.094 2.525 1.00 0.00 C ATOM 0 H VAL A 20 1.578 4.399 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.906 4.159 1.186 1.00 0.00 H new ATOM 0 HB VAL A 20 1.564 5.577 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.955 7.939 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.788 6.982 -0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.658 7.437 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.563 6.922 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.051 6.337 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.164 5.194 3.121 1.00 0.00 H new ATOM 356 N VAL A 21 -2.406 5.604 -0.203 1.00 0.00 N ATOM 357 CA VAL A 21 -3.454 6.022 -1.175 1.00 0.00 C ATOM 358 C VAL A 21 -3.579 7.548 -1.191 1.00 0.00 C ATOM 359 O VAL A 21 -4.061 8.149 -0.252 1.00 0.00 O ATOM 360 CB VAL A 21 -4.771 5.386 -0.672 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.559 4.851 -1.865 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.504 4.224 0.287 1.00 0.00 C ATOM 0 H VAL A 21 -2.656 5.732 0.778 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.213 5.703 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.333 6.156 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.488 4.402 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.786 5.670 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.966 4.099 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.452 3.802 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.924 3.456 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.945 4.586 1.150 1.00 0.00 H new ATOM 372 N THR A 22 -3.156 8.180 -2.251 1.00 0.00 N ATOM 373 CA THR A 22 -3.259 9.668 -2.322 1.00 0.00 C ATOM 374 C THR A 22 -3.695 10.102 -3.724 1.00 0.00 C ATOM 375 O THR A 22 -4.143 9.301 -4.521 1.00 0.00 O ATOM 376 CB THR A 22 -1.853 10.191 -2.008 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.810 11.593 -2.234 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.825 9.498 -2.902 1.00 0.00 C ATOM 0 H THR A 22 -2.744 7.733 -3.070 1.00 0.00 H new ATOM 0 HA THR A 22 -3.998 10.060 -1.623 1.00 0.00 H new ATOM 0 HB THR A 22 -1.617 9.980 -0.965 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.912 11.930 -2.032 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.171 9.876 -2.672 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.855 8.423 -2.725 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.057 9.700 -3.948 1.00 0.00 H new ATOM 543 N TYR A 32 -1.735 11.564 1.869 1.00 0.00 N ATOM 544 CA TYR A 32 -2.630 10.494 1.333 1.00 0.00 C ATOM 545 C TYR A 32 -3.907 10.396 2.167 1.00 0.00 C ATOM 546 O TYR A 32 -3.988 10.911 3.264 1.00 0.00 O ATOM 547 CB TYR A 32 -1.832 9.183 1.438 1.00 0.00 C ATOM 548 CG TYR A 32 -1.160 9.089 2.791 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.909 8.771 3.928 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.216 9.329 2.903 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.284 8.691 5.179 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.841 9.249 4.153 1.00 0.00 C ATOM 553 CZ TYR A 32 0.091 8.930 5.291 1.00 0.00 C ATOM 554 OH TYR A 32 0.708 8.851 6.523 1.00 0.00 O ATOM 0 HA TYR A 32 -2.928 10.706 0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.497 8.331 1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.083 9.140 0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.970 8.587 3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.794 9.576 2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.863 8.445 6.057 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.902 9.433 4.239 1.00 0.00 H new ATOM 0 HH TYR A 32 1.664 9.044 6.423 1.00 0.00 H new ATOM 564 N ILE A 33 -4.902 9.727 1.653 1.00 0.00 N ATOM 565 CA ILE A 33 -6.176 9.579 2.412 1.00 0.00 C ATOM 566 C ILE A 33 -6.005 8.517 3.503 1.00 0.00 C ATOM 567 O ILE A 33 -6.707 8.512 4.494 1.00 0.00 O ATOM 568 CB ILE A 33 -7.199 9.131 1.364 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.472 10.286 0.399 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.506 8.724 2.048 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.547 10.167 -0.814 1.00 0.00 C ATOM 0 H ILE A 33 -4.888 9.276 0.738 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.485 10.497 2.911 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.800 8.277 0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.514 10.268 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.310 11.240 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.227 8.407 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.315 7.901 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.908 9.574 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.741 10.990 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.509 10.207 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.731 9.220 -1.320 1.00 0.00 H new ATOM 583 N GLU A 34 -5.075 7.620 3.326 1.00 0.00 N ATOM 584 CA GLU A 34 -4.855 6.558 4.349 1.00 0.00 C ATOM 585 C GLU A 34 -3.646 5.702 3.964 1.00 0.00 C ATOM 586 O GLU A 34 -3.190 5.728 2.839 1.00 0.00 O ATOM 587 CB GLU A 34 -6.135 5.718 4.326 1.00 0.00 C ATOM 588 CG GLU A 34 -6.924 5.947 5.616 1.00 0.00 C ATOM 589 CD GLU A 34 -7.330 4.598 6.214 1.00 0.00 C ATOM 590 OE1 GLU A 34 -6.456 3.904 6.708 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.507 4.282 6.169 1.00 0.00 O ATOM 0 H GLU A 34 -4.457 7.576 2.516 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.654 6.969 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.744 5.988 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.887 4.662 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.319 6.506 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.810 6.547 5.411 1.00 0.00 H new ATOM 598 N LYS A 35 -3.127 4.939 4.886 1.00 0.00 N ATOM 599 CA LYS A 35 -1.952 4.077 4.566 1.00 0.00 C ATOM 600 C LYS A 35 -2.386 2.609 4.529 1.00 0.00 C ATOM 601 O LYS A 35 -2.814 2.054 5.520 1.00 0.00 O ATOM 602 CB LYS A 35 -0.956 4.319 5.700 1.00 0.00 C ATOM 603 CG LYS A 35 0.284 3.448 5.486 1.00 0.00 C ATOM 604 CD LYS A 35 0.248 2.262 6.451 1.00 0.00 C ATOM 605 CE LYS A 35 0.583 2.745 7.863 1.00 0.00 C ATOM 606 NZ LYS A 35 1.895 2.118 8.183 1.00 0.00 N ATOM 0 H LYS A 35 -3.464 4.874 5.846 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.515 4.309 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.673 5.371 5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.417 4.084 6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.318 3.092 4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.187 4.036 5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.738 1.798 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.962 1.501 6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.645 3.832 7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.184 2.442 8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.997 2.034 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.942 1.173 7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.663 2.709 7.806 1.00 0.00 H new ATOM 620 N ILE A 36 -2.293 1.979 3.389 1.00 0.00 N ATOM 621 CA ILE A 36 -2.719 0.549 3.293 1.00 0.00 C ATOM 622 C ILE A 36 -1.523 -0.377 3.177 1.00 0.00 C ATOM 623 O ILE A 36 -1.525 -1.476 3.697 1.00 0.00 O ATOM 624 CB ILE A 36 -3.564 0.469 2.023 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.688 0.787 0.797 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.703 1.477 2.117 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.527 0.759 -0.476 1.00 0.00 C ATOM 0 H ILE A 36 -1.943 2.388 2.523 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.267 0.239 4.183 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.973 -0.536 1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.228 1.768 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.878 0.061 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.310 1.425 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.322 1.247 2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.292 2.481 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.894 0.986 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.966 -0.231 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.321 1.502 -0.405 1.00 0.00 H new ATOM 639 N GLY A 37 -0.519 0.034 2.471 1.00 0.00 N ATOM 640 CA GLY A 37 0.643 -0.855 2.296 1.00 0.00 C ATOM 641 C GLY A 37 1.921 -0.211 2.804 1.00 0.00 C ATOM 642 O GLY A 37 1.983 0.966 3.099 1.00 0.00 O ATOM 0 H GLY A 37 -0.454 0.942 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.470 -1.790 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.755 -1.105 1.241 1.00 0.00 H new ATOM 646 N TYR A 38 2.952 -0.993 2.853 1.00 0.00 N ATOM 647 CA TYR A 38 4.287 -0.485 3.280 1.00 0.00 C ATOM 648 C TYR A 38 5.341 -1.121 2.376 1.00 0.00 C ATOM 649 O TYR A 38 5.230 -2.276 2.013 1.00 0.00 O ATOM 650 CB TYR A 38 4.470 -0.937 4.730 1.00 0.00 C ATOM 651 CG TYR A 38 5.880 -0.619 5.183 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.178 0.638 5.723 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.889 -1.584 5.062 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.483 0.931 6.141 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.193 -1.290 5.480 1.00 0.00 C ATOM 656 CZ TYR A 38 8.490 -0.034 6.019 1.00 0.00 C ATOM 657 OH TYR A 38 9.776 0.254 6.431 1.00 0.00 O ATOM 0 H TYR A 38 2.932 -1.984 2.611 1.00 0.00 H new ATOM 0 HA TYR A 38 4.375 0.599 3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.748 -0.434 5.373 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.282 -2.007 4.815 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.401 1.382 5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.661 -2.554 4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.712 1.901 6.557 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.970 -2.034 5.386 1.00 0.00 H new ATOM 0 HH TYR A 38 10.400 -0.386 6.028 1.00 0.00 H new ATOM 667 N TYR A 39 6.358 -0.396 2.000 1.00 0.00 N ATOM 668 CA TYR A 39 7.383 -1.010 1.111 1.00 0.00 C ATOM 669 C TYR A 39 8.798 -0.664 1.594 1.00 0.00 C ATOM 670 O TYR A 39 9.063 0.436 2.036 1.00 0.00 O ATOM 671 CB TYR A 39 7.146 -0.413 -0.278 1.00 0.00 C ATOM 672 CG TYR A 39 8.210 -0.932 -1.214 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.475 -0.337 -1.225 1.00 0.00 C ATOM 674 CD2 TYR A 39 7.941 -2.019 -2.049 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.472 -0.826 -2.077 1.00 0.00 C ATOM 676 CE2 TYR A 39 8.938 -2.510 -2.902 1.00 0.00 C ATOM 677 CZ TYR A 39 10.203 -1.913 -2.915 1.00 0.00 C ATOM 678 OH TYR A 39 11.187 -2.395 -3.756 1.00 0.00 O ATOM 0 H TYR A 39 6.522 0.576 2.263 1.00 0.00 H new ATOM 0 HA TYR A 39 7.300 -2.097 1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.156 -0.686 -0.643 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.180 0.676 -0.233 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.683 0.501 -0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.965 -2.481 -2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.448 -0.364 -2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.730 -3.349 -3.549 1.00 0.00 H new ATOM 0 HH TYR A 39 10.836 -3.153 -4.269 1.00 0.00 H new ATOM 688 N ASP A 40 9.711 -1.589 1.489 1.00 0.00 N ATOM 689 CA ASP A 40 11.113 -1.310 1.914 1.00 0.00 C ATOM 690 C ASP A 40 12.089 -1.962 0.924 1.00 0.00 C ATOM 691 O ASP A 40 12.259 -3.161 0.926 1.00 0.00 O ATOM 692 CB ASP A 40 11.244 -1.941 3.303 1.00 0.00 C ATOM 693 CG ASP A 40 12.113 -1.049 4.194 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.767 -0.167 3.661 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.108 -1.264 5.394 1.00 0.00 O ATOM 0 H ASP A 40 9.547 -2.528 1.127 1.00 0.00 H new ATOM 0 HA ASP A 40 11.341 -0.244 1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.258 -2.068 3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.688 -2.933 3.222 1.00 0.00 H new ATOM 838 N LEU A 49 8.047 -6.385 1.970 1.00 0.00 N ATOM 839 CA LEU A 49 6.676 -5.962 1.561 1.00 0.00 C ATOM 840 C LEU A 49 5.672 -6.255 2.677 1.00 0.00 C ATOM 841 O LEU A 49 5.442 -7.393 3.034 1.00 0.00 O ATOM 842 CB LEU A 49 6.350 -6.808 0.329 1.00 0.00 C ATOM 843 CG LEU A 49 5.027 -6.338 -0.283 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.174 -6.245 -1.802 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.922 -7.340 0.061 1.00 0.00 C ATOM 0 HA LEU A 49 6.625 -4.893 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.152 -6.724 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.281 -7.860 0.606 1.00 0.00 H new ATOM 0 HG LEU A 49 4.768 -5.358 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.233 -5.911 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.962 -5.533 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.432 -7.225 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.980 -7.006 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.181 -8.319 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.817 -7.409 1.144 1.00 0.00 H new ATOM 857 N LYS A 50 5.063 -5.241 3.220 1.00 0.00 N ATOM 858 CA LYS A 50 4.062 -5.467 4.301 1.00 0.00 C ATOM 859 C LYS A 50 2.793 -4.677 3.987 1.00 0.00 C ATOM 860 O LYS A 50 2.734 -3.481 4.188 1.00 0.00 O ATOM 861 CB LYS A 50 4.724 -4.942 5.576 1.00 0.00 C ATOM 862 CG LYS A 50 3.851 -5.287 6.786 1.00 0.00 C ATOM 863 CD LYS A 50 4.692 -6.018 7.835 1.00 0.00 C ATOM 864 CE LYS A 50 4.179 -7.450 7.991 1.00 0.00 C ATOM 865 NZ LYS A 50 4.889 -8.231 6.940 1.00 0.00 N ATOM 0 H LYS A 50 5.214 -4.265 2.964 1.00 0.00 H new ATOM 0 HA LYS A 50 3.779 -6.515 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.714 -5.382 5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.861 -3.863 5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.429 -4.378 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.014 -5.912 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.740 -6.026 7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.638 -5.495 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.394 -7.840 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.098 -7.499 7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.589 -9.226 6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.660 -7.841 6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.915 -8.172 7.098 1.00 0.00 H new ATOM 879 N VAL A 51 1.779 -5.324 3.476 1.00 0.00 N ATOM 880 CA VAL A 51 0.535 -4.580 3.139 1.00 0.00 C ATOM 881 C VAL A 51 -0.676 -5.164 3.865 1.00 0.00 C ATOM 882 O VAL A 51 -0.754 -6.344 4.144 1.00 0.00 O ATOM 883 CB VAL A 51 0.383 -4.719 1.601 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.079 -4.973 1.186 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.834 -3.431 0.930 1.00 0.00 C ATOM 0 H VAL A 51 1.759 -6.325 3.280 1.00 0.00 H new ATOM 0 HA VAL A 51 0.594 -3.537 3.450 1.00 0.00 H new ATOM 0 HB VAL A 51 0.993 -5.568 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.139 -5.064 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.433 -5.895 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.701 -4.140 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.728 -3.527 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.220 -2.603 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.878 -3.239 1.176 1.00 0.00 H new ATOM 895 N ASP A 52 -1.647 -4.336 4.091 1.00 0.00 N ATOM 896 CA ASP A 52 -2.904 -4.805 4.708 1.00 0.00 C ATOM 897 C ASP A 52 -3.898 -4.978 3.566 1.00 0.00 C ATOM 898 O ASP A 52 -4.801 -4.182 3.404 1.00 0.00 O ATOM 899 CB ASP A 52 -3.342 -3.681 5.649 1.00 0.00 C ATOM 900 CG ASP A 52 -4.054 -4.281 6.865 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.760 -5.416 7.198 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.881 -3.593 7.440 1.00 0.00 O ATOM 0 H ASP A 52 -1.621 -3.340 3.871 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.817 -5.742 5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.476 -3.103 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.008 -2.994 5.127 1.00 0.00 H new ATOM 907 N VAL A 53 -3.688 -5.984 2.739 1.00 0.00 N ATOM 908 CA VAL A 53 -4.572 -6.217 1.542 1.00 0.00 C ATOM 909 C VAL A 53 -6.033 -5.842 1.837 1.00 0.00 C ATOM 910 O VAL A 53 -6.740 -5.401 0.960 1.00 0.00 O ATOM 911 CB VAL A 53 -4.400 -7.713 1.123 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.010 -8.607 2.305 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.695 -8.260 0.497 1.00 0.00 C ATOM 0 H VAL A 53 -2.933 -6.661 2.844 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.279 -5.573 0.713 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.593 -7.734 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.903 -9.636 1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.064 -8.263 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.785 -8.558 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.550 -9.303 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.507 -8.190 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.947 -7.675 -0.388 1.00 0.00 H new ATOM 923 N GLU A 54 -6.486 -5.978 3.053 1.00 0.00 N ATOM 924 CA GLU A 54 -7.888 -5.580 3.344 1.00 0.00 C ATOM 925 C GLU A 54 -8.050 -4.092 3.042 1.00 0.00 C ATOM 926 O GLU A 54 -8.892 -3.691 2.264 1.00 0.00 O ATOM 927 CB GLU A 54 -8.099 -5.870 4.832 1.00 0.00 C ATOM 928 CG GLU A 54 -9.591 -6.065 5.106 1.00 0.00 C ATOM 929 CD GLU A 54 -9.781 -6.659 6.504 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.122 -6.191 7.418 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.583 -7.569 6.635 1.00 0.00 O ATOM 0 H GLU A 54 -5.955 -6.341 3.844 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.618 -6.120 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.545 -6.763 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.712 -5.047 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.113 -5.111 5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.026 -6.726 4.356 1.00 0.00 H new ATOM 938 N ARG A 55 -7.227 -3.272 3.633 1.00 0.00 N ATOM 939 CA ARG A 55 -7.301 -1.814 3.363 1.00 0.00 C ATOM 940 C ARG A 55 -6.799 -1.549 1.944 1.00 0.00 C ATOM 941 O ARG A 55 -7.350 -0.754 1.210 1.00 0.00 O ATOM 942 CB ARG A 55 -6.367 -1.171 4.393 1.00 0.00 C ATOM 943 CG ARG A 55 -7.173 -0.282 5.342 1.00 0.00 C ATOM 944 CD ARG A 55 -7.596 0.992 4.609 1.00 0.00 C ATOM 945 NE ARG A 55 -8.972 0.706 4.114 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.985 0.625 4.947 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.815 0.820 6.232 1.00 0.00 N ATOM 948 NH2 ARG A 55 -11.177 0.351 4.492 1.00 0.00 N ATOM 0 H ARG A 55 -6.503 -3.553 4.295 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.313 -1.416 3.439 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.847 -1.944 4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.604 -0.580 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.052 -0.817 5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.575 -0.029 6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.587 1.854 5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.918 1.219 3.786 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.130 0.571 3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.888 1.038 6.596 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.610 0.754 6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.320 0.201 3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.966 0.287 5.135 1.00 0.00 H new ATOM 962 N ALA A 56 -5.770 -2.239 1.539 1.00 0.00 N ATOM 963 CA ALA A 56 -5.253 -2.054 0.167 1.00 0.00 C ATOM 964 C ALA A 56 -6.324 -2.543 -0.820 1.00 0.00 C ATOM 965 O ALA A 56 -6.318 -2.192 -1.986 1.00 0.00 O ATOM 966 CB ALA A 56 -3.960 -2.886 0.115 1.00 0.00 C ATOM 0 H ALA A 56 -5.268 -2.923 2.105 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.036 -1.019 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.513 -2.801 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.259 -2.516 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.191 -3.931 0.321 1.00 0.00 H new ATOM 972 N ARG A 57 -7.272 -3.326 -0.345 1.00 0.00 N ATOM 973 CA ARG A 57 -8.358 -3.802 -1.235 1.00 0.00 C ATOM 974 C ARG A 57 -9.497 -2.772 -1.249 1.00 0.00 C ATOM 975 O ARG A 57 -10.250 -2.669 -2.197 1.00 0.00 O ATOM 976 CB ARG A 57 -8.834 -5.128 -0.627 1.00 0.00 C ATOM 977 CG ARG A 57 -10.114 -5.596 -1.329 1.00 0.00 C ATOM 978 CD ARG A 57 -10.086 -7.117 -1.492 1.00 0.00 C ATOM 979 NE ARG A 57 -11.284 -7.436 -2.322 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.385 -8.585 -2.947 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.438 -9.486 -2.857 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.442 -8.833 -3.670 1.00 0.00 N ATOM 0 H ARG A 57 -7.330 -3.649 0.621 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.025 -3.935 -2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.056 -5.885 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.019 -5.003 0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.988 -5.299 -0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.201 -5.118 -2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.168 -7.445 -1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.130 -7.619 -0.525 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.035 -6.751 -2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.608 -9.299 -2.295 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.531 -10.375 -3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.183 -8.136 -3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.528 -9.724 -4.159 1.00 0.00 H new ATOM 996 N TYR A 58 -9.607 -1.994 -0.201 1.00 0.00 N ATOM 997 CA TYR A 58 -10.665 -0.950 -0.133 1.00 0.00 C ATOM 998 C TYR A 58 -10.453 0.004 -1.285 1.00 0.00 C ATOM 999 O TYR A 58 -11.360 0.430 -1.973 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.390 -0.229 1.190 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.137 1.089 1.254 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.462 1.157 0.819 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.503 2.241 1.751 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -13.161 2.367 0.878 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.204 3.452 1.811 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.532 3.516 1.375 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.221 4.713 1.436 1.00 0.00 O ATOM 0 H TYR A 58 -9.000 -2.042 0.617 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.680 -1.344 -0.188 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.691 -0.863 2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.320 -0.051 1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.949 0.272 0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.477 2.192 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.186 2.416 0.540 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.719 4.338 2.194 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.638 5.408 1.807 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.230 0.352 -1.453 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.850 1.304 -2.512 1.00 0.00 C ATOM 1019 C TRP A 59 -9.015 0.664 -3.871 1.00 0.00 C ATOM 1020 O TRP A 59 -9.746 1.150 -4.711 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.409 1.640 -2.175 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.473 2.350 -0.876 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.972 1.924 0.301 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.165 3.581 -0.611 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.292 2.856 1.279 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.030 3.903 0.754 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.875 4.445 -1.442 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.598 5.063 1.283 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.451 5.611 -0.922 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.313 5.921 0.437 1.00 0.00 C ATOM 0 H TRP A 59 -8.453 0.010 -0.888 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.467 2.202 -2.556 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.800 0.739 -2.102 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.960 2.267 -2.945 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.416 1.012 0.457 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.018 2.779 2.259 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.982 4.215 -2.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.488 5.296 2.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.004 6.274 -1.571 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.758 6.822 0.833 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.388 -0.445 -4.089 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.566 -1.137 -5.394 1.00 0.00 C ATOM 1043 C LEU A 60 -10.069 -1.331 -5.640 1.00 0.00 C ATOM 1044 O LEU A 60 -10.514 -1.477 -6.762 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.863 -2.487 -5.244 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.385 -2.337 -5.599 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.609 -3.545 -5.072 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.231 -2.258 -7.119 1.00 0.00 C ATOM 0 H LEU A 60 -7.762 -0.906 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.154 -0.577 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.967 -2.851 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.330 -3.226 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.994 -1.426 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.554 -3.438 -5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.718 -3.603 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.001 -4.455 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.176 -2.151 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.623 -3.169 -7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.784 -1.398 -7.497 1.00 0.00 H new ATOM 1060 N SER A 61 -10.856 -1.320 -4.587 1.00 0.00 N ATOM 1061 CA SER A 61 -12.324 -1.486 -4.748 1.00 0.00 C ATOM 1062 C SER A 61 -12.978 -0.147 -5.120 1.00 0.00 C ATOM 1063 O SER A 61 -14.049 -0.116 -5.693 1.00 0.00 O ATOM 1064 CB SER A 61 -12.824 -1.974 -3.388 1.00 0.00 C ATOM 1065 OG SER A 61 -14.244 -1.905 -3.359 1.00 0.00 O ATOM 0 H SER A 61 -10.537 -1.203 -3.625 1.00 0.00 H new ATOM 0 HA SER A 61 -12.572 -2.187 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.494 -2.998 -3.212 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.402 -1.362 -2.591 1.00 0.00 H new ATOM 0 HG SER A 61 -14.569 -2.218 -2.489 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.348 0.962 -4.811 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.953 2.272 -5.164 1.00 0.00 C ATOM 1073 C VAL A 62 -12.314 2.802 -6.449 1.00 0.00 C ATOM 1074 O VAL A 62 -12.163 3.992 -6.643 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.677 3.216 -3.977 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.009 2.526 -2.651 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.204 3.651 -3.959 1.00 0.00 C ATOM 0 H VAL A 62 -11.448 1.010 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.025 2.190 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.311 4.094 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.808 3.208 -1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.062 2.245 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.394 1.633 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.032 4.317 -3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.566 2.772 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.968 4.173 -4.886 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.942 1.915 -7.322 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.312 2.340 -8.603 1.00 0.00 C ATOM 1089 C GLY A 63 -9.929 2.935 -8.328 1.00 0.00 C ATOM 1090 O GLY A 63 -9.455 3.782 -9.059 1.00 0.00 O ATOM 0 H GLY A 63 -12.047 0.907 -7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.224 1.487 -9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.942 3.076 -9.102 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.272 2.499 -7.285 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.921 3.046 -6.982 1.00 0.00 C ATOM 1096 C ALA A 64 -6.911 2.527 -8.007 1.00 0.00 C ATOM 1097 O ALA A 64 -6.799 1.338 -8.232 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.578 2.520 -5.590 1.00 0.00 C ATOM 0 H ALA A 64 -9.612 1.791 -6.634 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.898 4.135 -7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.593 2.882 -5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.322 2.872 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.575 1.430 -5.604 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.176 3.404 -8.629 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.180 2.948 -9.637 1.00 0.00 C ATOM 1106 C GLN A 65 -3.782 2.863 -9.003 1.00 0.00 C ATOM 1107 O GLN A 65 -3.194 3.875 -8.675 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.214 4.016 -10.730 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.711 3.393 -12.036 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.631 4.383 -12.755 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.167 5.303 -13.398 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -7.926 4.232 -12.671 1.00 0.00 N ATOM 0 H GLN A 65 -6.221 4.413 -8.484 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.408 1.956 -10.028 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.869 4.835 -10.433 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.219 4.439 -10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.865 3.136 -12.674 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.247 2.467 -11.829 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.315 3.459 -12.131 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.548 4.887 -13.146 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.293 1.656 -8.846 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.955 1.459 -8.252 1.00 0.00 C ATOM 1123 C PRO A 66 -0.874 1.566 -9.331 1.00 0.00 C ATOM 1124 O PRO A 66 -0.951 0.925 -10.361 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.020 0.041 -7.703 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.058 -0.667 -8.524 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.927 0.377 -9.190 1.00 0.00 C ATOM 0 HA PRO A 66 -1.708 2.201 -7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.052 -0.454 -7.784 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.290 0.042 -6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.583 -1.300 -9.273 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.663 -1.318 -7.893 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.966 0.231 -10.269 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.953 0.331 -8.825 1.00 0.00 H new ATOM 1135 N THR A 67 0.135 2.364 -9.106 1.00 0.00 N ATOM 1136 CA THR A 67 1.214 2.493 -10.127 1.00 0.00 C ATOM 1137 C THR A 67 1.785 1.111 -10.454 1.00 0.00 C ATOM 1138 O THR A 67 1.504 0.139 -9.781 1.00 0.00 O ATOM 1139 CB THR A 67 2.279 3.385 -9.485 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.426 3.427 -10.322 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.670 2.827 -8.116 1.00 0.00 C ATOM 0 H THR A 67 0.259 2.928 -8.265 1.00 0.00 H new ATOM 0 HA THR A 67 0.851 2.920 -11.062 1.00 0.00 H new ATOM 0 HB THR A 67 1.877 4.390 -9.361 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.108 3.999 -9.913 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.428 3.467 -7.665 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.792 2.796 -7.471 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.069 1.820 -8.234 1.00 0.00 H new ATOM 1149 N ASP A 68 2.575 1.009 -11.486 1.00 0.00 N ATOM 1150 CA ASP A 68 3.148 -0.318 -11.857 1.00 0.00 C ATOM 1151 C ASP A 68 3.899 -0.934 -10.674 1.00 0.00 C ATOM 1152 O ASP A 68 3.863 -2.129 -10.458 1.00 0.00 O ATOM 1153 CB ASP A 68 4.108 -0.027 -13.013 1.00 0.00 C ATOM 1154 CG ASP A 68 3.314 0.403 -14.252 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.095 0.374 -14.195 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.942 0.755 -15.237 1.00 0.00 O ATOM 0 H ASP A 68 2.849 1.785 -12.089 1.00 0.00 H new ATOM 0 HA ASP A 68 2.374 -1.032 -12.138 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.808 0.758 -12.728 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.699 -0.914 -13.239 1.00 0.00 H new ATOM 1161 N THR A 69 4.582 -0.131 -9.913 1.00 0.00 N ATOM 1162 CA THR A 69 5.340 -0.669 -8.748 1.00 0.00 C ATOM 1163 C THR A 69 4.385 -1.131 -7.648 1.00 0.00 C ATOM 1164 O THR A 69 4.385 -2.275 -7.246 1.00 0.00 O ATOM 1165 CB THR A 69 6.161 0.504 -8.234 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.438 1.408 -9.295 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.474 0.008 -7.625 1.00 0.00 C ATOM 0 H THR A 69 4.650 0.878 -10.046 1.00 0.00 H new ATOM 0 HA THR A 69 5.952 -1.525 -9.033 1.00 0.00 H new ATOM 0 HB THR A 69 5.586 1.019 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.965 2.161 -8.954 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.051 0.859 -7.262 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.259 -0.666 -6.795 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.049 -0.523 -8.384 1.00 0.00 H new ATOM 1175 N ALA A 70 3.567 -0.240 -7.161 1.00 0.00 N ATOM 1176 CA ALA A 70 2.614 -0.611 -6.087 1.00 0.00 C ATOM 1177 C ALA A 70 1.644 -1.646 -6.620 1.00 0.00 C ATOM 1178 O ALA A 70 1.073 -2.422 -5.880 1.00 0.00 O ATOM 1179 CB ALA A 70 1.890 0.684 -5.728 1.00 0.00 C ATOM 0 H ALA A 70 3.520 0.733 -7.464 1.00 0.00 H new ATOM 0 HA ALA A 70 3.104 -1.042 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.166 0.489 -4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.614 1.422 -5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.372 1.067 -6.607 1.00 0.00 H new ATOM 1185 N ARG A 71 1.472 -1.683 -7.909 1.00 0.00 N ATOM 1186 CA ARG A 71 0.570 -2.682 -8.486 1.00 0.00 C ATOM 1187 C ARG A 71 1.227 -4.043 -8.320 1.00 0.00 C ATOM 1188 O ARG A 71 0.597 -5.012 -7.948 1.00 0.00 O ATOM 1189 CB ARG A 71 0.436 -2.306 -9.963 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.341 -3.392 -10.711 1.00 0.00 C ATOM 1191 CD ARG A 71 0.364 -3.698 -12.033 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.386 -4.851 -12.611 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.165 -5.246 -13.842 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.716 -4.639 -14.598 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.834 -6.258 -14.321 1.00 0.00 N ATOM 0 H ARG A 71 1.922 -1.060 -8.579 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.412 -2.715 -8.014 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.077 -1.349 -10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.424 -2.183 -10.407 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.405 -4.294 -10.102 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.362 -3.061 -10.898 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.341 -2.837 -12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.412 -3.949 -11.873 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.079 -5.338 -12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.243 -3.846 -14.231 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.875 -4.959 -15.553 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.523 -6.735 -13.739 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.669 -6.572 -15.277 1.00 0.00 H new ATOM 1209 N ARG A 72 2.507 -4.112 -8.575 1.00 0.00 N ATOM 1210 CA ARG A 72 3.211 -5.403 -8.422 1.00 0.00 C ATOM 1211 C ARG A 72 3.393 -5.741 -6.943 1.00 0.00 C ATOM 1212 O ARG A 72 3.772 -6.840 -6.592 1.00 0.00 O ATOM 1213 CB ARG A 72 4.559 -5.207 -9.109 1.00 0.00 C ATOM 1214 CG ARG A 72 4.642 -6.154 -10.301 1.00 0.00 C ATOM 1215 CD ARG A 72 5.628 -5.602 -11.333 1.00 0.00 C ATOM 1216 NE ARG A 72 6.510 -6.755 -11.680 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.091 -7.704 -12.483 1.00 0.00 C ATOM 1218 NH1 ARG A 72 4.885 -7.673 -12.994 1.00 0.00 N ATOM 1219 NH2 ARG A 72 6.887 -8.698 -12.773 1.00 0.00 N ATOM 0 H ARG A 72 3.087 -3.330 -8.881 1.00 0.00 H new ATOM 0 HA ARG A 72 2.653 -6.230 -8.861 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.668 -4.174 -9.439 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.372 -5.406 -8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.962 -7.142 -9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.657 -6.272 -10.752 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.108 -5.224 -12.213 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.205 -4.773 -10.923 1.00 0.00 H new ATOM 0 HE ARG A 72 7.450 -6.806 -11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.256 -6.903 -12.769 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.576 -8.419 -13.617 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.826 -8.732 -12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.570 -9.440 -13.396 1.00 0.00 H new ATOM 1233 N LEU A 73 3.116 -4.817 -6.072 1.00 0.00 N ATOM 1234 CA LEU A 73 3.254 -5.101 -4.632 1.00 0.00 C ATOM 1235 C LEU A 73 1.881 -5.449 -4.071 1.00 0.00 C ATOM 1236 O LEU A 73 1.761 -6.177 -3.106 1.00 0.00 O ATOM 1237 CB LEU A 73 3.817 -3.823 -4.017 1.00 0.00 C ATOM 1238 CG LEU A 73 5.133 -3.474 -4.718 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.459 -1.997 -4.498 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.258 -4.338 -4.151 1.00 0.00 C ATOM 0 H LEU A 73 2.799 -3.875 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 73 3.911 -5.943 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.104 -3.006 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.984 -3.960 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 73 5.034 -3.664 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.396 -1.753 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.658 -1.382 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.556 -1.801 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.195 -4.089 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.356 -4.152 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.027 -5.390 -4.316 1.00 0.00 H new ATOM 1252 N LEU A 74 0.838 -4.981 -4.705 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.515 -5.346 -4.235 1.00 0.00 C ATOM 1254 C LEU A 74 -0.724 -6.817 -4.576 1.00 0.00 C ATOM 1255 O LEU A 74 -1.395 -7.550 -3.881 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.476 -4.455 -5.020 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.369 -3.020 -4.506 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.788 -2.049 -5.609 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.289 -2.843 -3.298 1.00 0.00 C ATOM 0 H LEU A 74 0.871 -4.368 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.666 -5.209 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.238 -4.491 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.498 -4.818 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.339 -2.815 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.711 -1.026 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.134 -2.174 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.818 -2.253 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.214 -1.820 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.318 -3.048 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.992 -3.535 -2.510 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.101 -7.252 -5.638 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.199 -8.678 -6.035 1.00 0.00 C ATOM 1273 C ARG A 75 0.725 -9.486 -5.132 1.00 0.00 C ATOM 1274 O ARG A 75 0.491 -10.645 -4.852 1.00 0.00 O ATOM 1275 CB ARG A 75 0.266 -8.744 -7.500 1.00 0.00 C ATOM 1276 CG ARG A 75 1.621 -8.072 -7.657 1.00 0.00 C ATOM 1277 CD ARG A 75 2.293 -8.573 -8.940 1.00 0.00 C ATOM 1278 NE ARG A 75 2.560 -10.021 -8.702 1.00 0.00 N ATOM 1279 CZ ARG A 75 3.331 -10.702 -9.516 1.00 0.00 C ATOM 1280 NH1 ARG A 75 3.886 -10.131 -10.557 1.00 0.00 N ATOM 1281 NH2 ARG A 75 3.548 -11.969 -9.287 1.00 0.00 N ATOM 0 H ARG A 75 0.475 -6.673 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.208 -9.080 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.329 -9.784 -7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.466 -8.255 -8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.500 -6.989 -7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.250 -8.292 -6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.646 -8.429 -9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.217 -8.030 -9.139 1.00 0.00 H new ATOM 0 HE ARG A 75 2.139 -10.486 -7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.721 -9.142 -10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.483 -10.676 -11.180 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.119 -12.422 -8.480 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.146 -12.506 -9.915 1.00 0.00 H new ATOM 1295 N GLN A 76 1.777 -8.864 -4.664 1.00 0.00 N ATOM 1296 CA GLN A 76 2.721 -9.559 -3.769 1.00 0.00 C ATOM 1297 C GLN A 76 2.125 -9.659 -2.383 1.00 0.00 C ATOM 1298 O GLN A 76 2.265 -10.647 -1.691 1.00 0.00 O ATOM 1299 CB GLN A 76 3.958 -8.675 -3.776 1.00 0.00 C ATOM 1300 CG GLN A 76 5.163 -9.465 -3.274 1.00 0.00 C ATOM 1301 CD GLN A 76 5.509 -10.554 -4.288 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.713 -11.696 -3.927 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.586 -10.243 -5.552 1.00 0.00 N ATOM 0 H GLN A 76 2.016 -7.894 -4.872 1.00 0.00 H new ATOM 0 HA GLN A 76 2.949 -10.577 -4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.147 -8.308 -4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.795 -7.802 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.015 -8.800 -3.132 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.942 -9.911 -2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.414 -9.284 -5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.818 -10.959 -6.240 1.00 0.00 H new ATOM 1312 N ALA A 77 1.437 -8.642 -1.988 1.00 0.00 N ATOM 1313 CA ALA A 77 0.790 -8.655 -0.658 1.00 0.00 C ATOM 1314 C ALA A 77 -0.454 -9.556 -0.686 1.00 0.00 C ATOM 1315 O ALA A 77 -1.132 -9.721 0.309 1.00 0.00 O ATOM 1316 CB ALA A 77 0.398 -7.204 -0.394 1.00 0.00 C ATOM 0 H ALA A 77 1.291 -7.792 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 77 1.447 -9.045 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.090 -7.130 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.291 -6.579 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.287 -6.865 -1.171 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.768 -10.133 -1.822 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.969 -11.008 -1.913 1.00 0.00 C ATOM 1324 C GLY A 78 -3.217 -10.131 -1.896 1.00 0.00 C ATOM 1325 O GLY A 78 -4.129 -10.349 -1.125 1.00 0.00 O ATOM 0 H GLY A 78 -0.240 -10.032 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.936 -11.600 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.989 -11.710 -1.079 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.258 -9.125 -2.729 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.435 -8.223 -2.741 1.00 0.00 C ATOM 1331 C VAL A 79 -5.406 -8.573 -3.873 1.00 0.00 C ATOM 1332 O VAL A 79 -6.596 -8.691 -3.660 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.867 -6.824 -2.946 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -4.998 -5.798 -2.852 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -2.821 -6.529 -1.868 1.00 0.00 C ATOM 0 H VAL A 79 -2.525 -8.893 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.004 -8.310 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.399 -6.764 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.594 -4.796 -2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.742 -6.005 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.465 -5.861 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.417 -5.528 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.286 -6.589 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.015 -7.259 -1.934 1.00 0.00 H new