USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 489 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 42 THR OG1 : rot 32:sc= 0.217 USER MOD Set 1.2: A 45 LYS NZ :NH3+ 175:sc= 0.21 (180deg=0.199) USER MOD Single : A 1 ARG N :NH3+ -179:sc= -7.61! (180deg=-7.61!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.469 (180deg=-0.526) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot -78:sc= -0.705 USER MOD Single : A 27 SER OG : rot -64:sc= 1.16 USER MOD Single : A 32 ASN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0145 K(o=-0.014,f=-1.2) USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= -0.0956 (180deg=-0.599) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -131:sc= -0.0345 (180deg=-1.45!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 22.004 -3.804 14.961 1.00 99.99 N ATOM 2 CA ARG A 1 21.589 -5.041 15.591 1.00 0.00 C ATOM 3 C ARG A 1 20.652 -4.746 16.759 1.00 0.00 C ATOM 4 O ARG A 1 19.574 -5.331 16.867 1.00 0.00 O ATOM 5 CB ARG A 1 20.791 -5.182 14.292 1.00 0.00 C ATOM 6 CG ARG A 1 21.035 -4.053 13.302 1.00 0.00 C ATOM 7 CD ARG A 1 21.967 -4.482 12.180 1.00 0.00 C ATOM 8 NE ARG A 1 21.361 -4.292 10.864 1.00 0.00 N ATOM 9 CZ ARG A 1 21.789 -4.896 9.756 1.00 0.00 C ATOM 10 NH1 ARG A 1 22.823 -5.726 9.802 1.00 0.00 N ATOM 11 NH2 ARG A 1 21.180 -4.668 8.601 1.00 0.00 N ATOM 0 H1 ARG A 1 22.628 -4.016 14.157 1.00 99.99 H new ATOM 0 H2 ARG A 1 21.166 -3.289 14.623 1.00 99.99 H new ATOM 0 H3 ARG A 1 22.516 -3.218 15.651 1.00 99.99 H new ATOM 0 HA ARG A 1 22.260 -5.796 16.001 1.00 0.00 H new ATOM 0 HB2 ARG A 1 21.047 -6.130 13.819 1.00 0.00 H new ATOM 0 HB3 ARG A 1 19.728 -5.221 14.531 1.00 0.00 H new ATOM 0 HG2 ARG A 1 20.084 -3.726 12.881 1.00 0.00 H new ATOM 0 HG3 ARG A 1 21.463 -3.197 13.824 1.00 0.00 H new ATOM 0 HD2 ARG A 1 22.893 -3.910 12.239 1.00 0.00 H new ATOM 0 HD3 ARG A 1 22.232 -5.531 12.309 1.00 0.00 H new ATOM 0 HE ARG A 1 20.564 -3.660 10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 1 23.295 -5.905 10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 1 23.146 -6.186 8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 1 20.385 -4.031 8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 1 21.507 -5.130 7.752 1.00 0.00 H new ATOM 27 N ARG A 2 21.071 -3.836 17.632 1.00 0.00 N ATOM 28 CA ARG A 2 20.270 -3.462 18.791 1.00 0.00 C ATOM 29 C ARG A 2 20.581 -2.034 19.228 1.00 0.00 C ATOM 30 O ARG A 2 19.676 -1.221 19.416 1.00 0.00 O ATOM 31 CB ARG A 2 20.528 -4.433 19.948 1.00 0.00 C ATOM 32 CG ARG A 2 19.362 -5.368 20.228 1.00 0.00 C ATOM 33 CD ARG A 2 19.664 -6.302 21.387 1.00 0.00 C ATOM 34 NE ARG A 2 18.880 -7.532 21.318 1.00 0.00 N ATOM 35 CZ ARG A 2 19.038 -8.462 20.379 1.00 0.00 C ATOM 36 NH1 ARG A 2 19.950 -8.305 19.427 1.00 0.00 N ATOM 37 NH2 ARG A 2 18.282 -9.551 20.390 1.00 0.00 N ATOM 0 H ARG A 2 21.961 -3.344 17.558 1.00 0.00 H new ATOM 0 HA ARG A 2 19.218 -3.514 18.510 1.00 0.00 H new ATOM 0 HB2 ARG A 2 21.414 -5.027 19.722 1.00 0.00 H new ATOM 0 HB3 ARG A 2 20.749 -3.861 20.849 1.00 0.00 H new ATOM 0 HG2 ARG A 2 18.471 -4.782 20.454 1.00 0.00 H new ATOM 0 HG3 ARG A 2 19.141 -5.953 19.335 1.00 0.00 H new ATOM 0 HD2 ARG A 2 20.726 -6.549 21.387 1.00 0.00 H new ATOM 0 HD3 ARG A 2 19.456 -5.792 22.327 1.00 0.00 H new ATOM 0 HE ARG A 2 18.169 -7.688 22.032 1.00 0.00 H new ATOM 0 HH11 ARG A 2 20.534 -7.469 19.413 1.00 0.00 H new ATOM 0 HH12 ARG A 2 20.067 -9.021 18.710 1.00 0.00 H new ATOM 0 HH21 ARG A 2 17.579 -9.676 21.118 1.00 0.00 H new ATOM 0 HH22 ARG A 2 18.403 -10.263 19.670 1.00 0.00 H new ATOM 51 N ARG A 3 21.866 -1.735 19.387 1.00 0.00 N ATOM 52 CA ARG A 3 22.297 -0.406 19.801 1.00 0.00 C ATOM 53 C ARG A 3 22.150 0.594 18.658 1.00 0.00 C ATOM 54 O ARG A 3 22.433 0.277 17.503 1.00 0.00 O ATOM 55 CB ARG A 3 23.749 -0.442 20.278 1.00 0.00 C ATOM 56 CG ARG A 3 23.911 -0.967 21.694 1.00 0.00 C ATOM 57 CD ARG A 3 23.796 0.150 22.719 1.00 0.00 C ATOM 58 NE ARG A 3 22.449 0.714 22.765 1.00 0.00 N ATOM 59 CZ ARG A 3 21.426 0.141 23.394 1.00 0.00 C ATOM 60 NH1 ARG A 3 21.592 -1.010 24.034 1.00 0.00 N ATOM 61 NH2 ARG A 3 20.233 0.720 23.386 1.00 0.00 N ATOM 0 H ARG A 3 22.627 -2.396 19.235 1.00 0.00 H new ATOM 0 HA ARG A 3 21.660 -0.086 20.625 1.00 0.00 H new ATOM 0 HB2 ARG A 3 24.330 -1.066 19.599 1.00 0.00 H new ATOM 0 HB3 ARG A 3 24.166 0.564 20.222 1.00 0.00 H new ATOM 0 HG2 ARG A 3 23.151 -1.723 21.892 1.00 0.00 H new ATOM 0 HG3 ARG A 3 24.880 -1.455 21.793 1.00 0.00 H new ATOM 0 HD2 ARG A 3 24.062 -0.233 23.704 1.00 0.00 H new ATOM 0 HD3 ARG A 3 24.511 0.937 22.479 1.00 0.00 H new ATOM 0 HE ARG A 3 22.283 1.599 22.287 1.00 0.00 H new ATOM 0 HH11 ARG A 3 22.507 -1.460 24.045 1.00 0.00 H new ATOM 0 HH12 ARG A 3 20.804 -1.445 24.514 1.00 0.00 H new ATOM 0 HH21 ARG A 3 20.099 1.605 22.897 1.00 0.00 H new ATOM 0 HH22 ARG A 3 19.449 0.280 23.868 1.00 0.00 H new ATOM 75 N HIS A 4 21.705 1.803 18.989 1.00 0.00 N ATOM 76 CA HIS A 4 21.522 2.849 17.989 1.00 0.00 C ATOM 77 C HIS A 4 22.866 3.345 17.468 1.00 0.00 C ATOM 78 O HIS A 4 23.401 4.342 17.952 1.00 0.00 O ATOM 79 CB HIS A 4 20.727 4.015 18.582 1.00 0.00 C ATOM 80 CG HIS A 4 19.257 3.936 18.308 1.00 0.00 C ATOM 81 ND1 HIS A 4 18.334 3.552 19.258 1.00 0.00 N ATOM 82 CD2 HIS A 4 18.549 4.197 17.183 1.00 0.00 C ATOM 83 CE1 HIS A 4 17.123 3.579 18.729 1.00 0.00 C ATOM 84 NE2 HIS A 4 17.227 3.968 17.472 1.00 0.00 N ATOM 0 H HIS A 4 21.465 2.082 19.940 1.00 0.00 H new ATOM 0 HA HIS A 4 20.964 2.426 17.153 1.00 0.00 H new ATOM 0 HB2 HIS A 4 20.887 4.042 19.660 1.00 0.00 H new ATOM 0 HB3 HIS A 4 21.114 4.951 18.179 1.00 0.00 H new ATOM 0 HD2 HIS A 4 18.950 4.524 16.235 1.00 0.00 H new ATOM 0 HE1 HIS A 4 16.205 3.326 19.238 1.00 0.00 H new ATOM 0 HE2 HIS A 4 16.450 4.080 16.821 1.00 0.00 H new ATOM 93 N ILE A 5 23.406 2.643 16.478 1.00 0.00 N ATOM 94 CA ILE A 5 24.688 3.013 15.890 1.00 0.00 C ATOM 95 C ILE A 5 24.631 2.957 14.368 1.00 0.00 C ATOM 96 O ILE A 5 24.811 3.969 13.691 1.00 0.00 O ATOM 97 CB ILE A 5 25.820 2.092 16.384 1.00 0.00 C ATOM 98 CG1 ILE A 5 25.778 1.969 17.909 1.00 0.00 C ATOM 99 CG2 ILE A 5 27.171 2.619 15.926 1.00 0.00 C ATOM 100 CD1 ILE A 5 26.573 0.797 18.443 1.00 0.00 C ATOM 0 H ILE A 5 22.976 1.815 16.066 1.00 0.00 H new ATOM 0 HA ILE A 5 24.897 4.035 16.206 1.00 0.00 H new ATOM 0 HB ILE A 5 25.675 1.101 15.954 1.00 0.00 H new ATOM 0 HG12 ILE A 5 26.161 2.889 18.350 1.00 0.00 H new ATOM 0 HG13 ILE A 5 24.741 1.870 18.229 1.00 0.00 H new ATOM 0 HG21 ILE A 5 27.960 1.957 16.283 1.00 0.00 H new ATOM 0 HG22 ILE A 5 27.196 2.659 14.837 1.00 0.00 H new ATOM 0 HG23 ILE A 5 27.327 3.620 16.329 1.00 0.00 H new ATOM 0 HD11 ILE A 5 26.498 0.772 19.530 1.00 0.00 H new ATOM 0 HD12 ILE A 5 26.176 -0.130 18.030 1.00 0.00 H new ATOM 0 HD13 ILE A 5 27.618 0.904 18.154 1.00 0.00 H new ATOM 112 N VAL A 6 24.376 1.766 13.834 1.00 0.00 N ATOM 113 CA VAL A 6 24.293 1.577 12.392 1.00 0.00 C ATOM 114 C VAL A 6 22.845 1.423 11.941 1.00 0.00 C ATOM 115 O VAL A 6 22.208 0.402 12.204 1.00 0.00 O ATOM 116 CB VAL A 6 25.095 0.341 11.940 1.00 0.00 C ATOM 117 CG1 VAL A 6 25.144 0.259 10.421 1.00 0.00 C ATOM 118 CG2 VAL A 6 26.498 0.373 12.526 1.00 0.00 C ATOM 0 H VAL A 6 24.223 0.918 14.380 1.00 0.00 H new ATOM 0 HA VAL A 6 24.722 2.467 11.931 1.00 0.00 H new ATOM 0 HB VAL A 6 24.591 -0.552 12.311 1.00 0.00 H new ATOM 0 HG11 VAL A 6 25.715 -0.620 10.122 1.00 0.00 H new ATOM 0 HG12 VAL A 6 24.130 0.184 10.028 1.00 0.00 H new ATOM 0 HG13 VAL A 6 25.622 1.154 10.024 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.050 -0.507 12.196 1.00 0.00 H new ATOM 0 HG22 VAL A 6 27.013 1.272 12.188 1.00 0.00 H new ATOM 0 HG23 VAL A 6 26.438 0.377 13.614 1.00 0.00 H new ATOM 128 N ARG A 7 22.329 2.443 11.264 1.00 0.00 N ATOM 129 CA ARG A 7 20.954 2.420 10.778 1.00 0.00 C ATOM 130 C ARG A 7 20.816 3.240 9.498 1.00 0.00 C ATOM 131 O ARG A 7 20.468 2.709 8.444 1.00 0.00 O ATOM 132 CB ARG A 7 20.005 2.962 11.849 1.00 0.00 C ATOM 133 CG ARG A 7 18.539 2.690 11.557 1.00 0.00 C ATOM 134 CD ARG A 7 18.270 1.204 11.385 1.00 0.00 C ATOM 135 NE ARG A 7 16.853 0.882 11.539 1.00 0.00 N ATOM 136 CZ ARG A 7 16.389 -0.350 11.731 1.00 0.00 C ATOM 137 NH1 ARG A 7 17.224 -1.380 11.791 1.00 0.00 N ATOM 138 NH2 ARG A 7 15.085 -0.553 11.861 1.00 0.00 N ATOM 0 H ARG A 7 22.842 3.296 11.039 1.00 0.00 H new ATOM 0 HA ARG A 7 20.689 1.386 10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 7 20.264 2.518 12.810 1.00 0.00 H new ATOM 0 HB3 ARG A 7 20.154 4.038 11.944 1.00 0.00 H new ATOM 0 HG2 ARG A 7 17.927 3.080 12.370 1.00 0.00 H new ATOM 0 HG3 ARG A 7 18.243 3.221 10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 7 18.609 0.886 10.399 1.00 0.00 H new ATOM 0 HD3 ARG A 7 18.851 0.643 12.118 1.00 0.00 H new ATOM 0 HE ARG A 7 16.180 1.647 11.497 1.00 0.00 H new ATOM 0 HH11 ARG A 7 18.228 -1.229 11.690 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.862 -2.322 11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.439 0.235 11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.728 -1.497 12.008 1.00 0.00 H new ATOM 152 N LYS A 8 21.092 4.535 9.597 1.00 0.00 N ATOM 153 CA LYS A 8 20.999 5.431 8.447 1.00 0.00 C ATOM 154 C LYS A 8 21.779 4.880 7.254 1.00 0.00 C ATOM 155 O LYS A 8 21.303 4.915 6.119 1.00 0.00 O ATOM 156 CB LYS A 8 21.523 6.821 8.816 1.00 0.00 C ATOM 157 CG LYS A 8 20.436 7.778 9.278 1.00 0.00 C ATOM 158 CD LYS A 8 20.188 8.878 8.258 1.00 0.00 C ATOM 159 CE LYS A 8 19.722 8.310 6.927 1.00 0.00 C ATOM 160 NZ LYS A 8 18.246 8.418 6.763 1.00 0.00 N ATOM 0 H LYS A 8 21.383 4.990 10.462 1.00 0.00 H new ATOM 0 HA LYS A 8 19.949 5.506 8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.268 6.722 9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.030 7.250 7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.512 7.225 9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.723 8.223 10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.438 9.569 8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.103 9.451 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.217 8.839 6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.020 7.264 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.997 8.279 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.778 7.690 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.931 9.360 7.071 1.00 0.00 H new ATOM 174 N ARG A 9 22.982 4.378 7.519 1.00 0.00 N ATOM 175 CA ARG A 9 23.830 3.826 6.468 1.00 0.00 C ATOM 176 C ARG A 9 23.301 2.483 5.970 1.00 0.00 C ATOM 177 O ARG A 9 23.616 2.059 4.858 1.00 0.00 O ATOM 178 CB ARG A 9 25.264 3.664 6.977 1.00 0.00 C ATOM 179 CG ARG A 9 25.369 2.831 8.245 1.00 0.00 C ATOM 180 CD ARG A 9 25.507 3.708 9.481 1.00 0.00 C ATOM 181 NE ARG A 9 26.591 3.260 10.352 1.00 0.00 N ATOM 182 CZ ARG A 9 27.106 3.998 11.332 1.00 0.00 C ATOM 183 NH1 ARG A 9 26.641 5.217 11.570 1.00 0.00 N ATOM 184 NH2 ARG A 9 28.091 3.515 12.078 1.00 0.00 N ATOM 0 H ARG A 9 23.391 4.342 8.453 1.00 0.00 H new ATOM 0 HA ARG A 9 23.819 4.525 5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 9 25.868 3.200 6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 9 25.688 4.651 7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 9 24.485 2.201 8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 9 26.228 2.164 8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 9 25.690 4.738 9.176 1.00 0.00 H new ATOM 0 HD3 ARG A 9 24.569 3.701 10.037 1.00 0.00 H new ATOM 0 HE ARG A 9 26.975 2.327 10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 9 25.884 5.594 11.000 1.00 0.00 H new ATOM 0 HH12 ARG A 9 27.041 5.777 12.323 1.00 0.00 H new ATOM 0 HH21 ARG A 9 28.453 2.578 11.900 1.00 0.00 H new ATOM 0 HH22 ARG A 9 28.486 4.080 12.829 1.00 0.00 H new ATOM 198 N THR A 10 22.498 1.815 6.793 1.00 0.00 N ATOM 199 CA THR A 10 21.934 0.521 6.425 1.00 0.00 C ATOM 200 C THR A 10 20.616 0.700 5.676 1.00 0.00 C ATOM 201 O THR A 10 20.413 0.122 4.608 1.00 0.00 O ATOM 202 CB THR A 10 21.735 -0.348 7.676 1.00 0.00 C ATOM 203 OG1 THR A 10 22.173 -1.674 7.436 1.00 0.00 O ATOM 204 CG2 THR A 10 20.298 -0.423 8.157 1.00 0.00 C ATOM 0 H THR A 10 22.224 2.148 7.717 1.00 0.00 H new ATOM 0 HA THR A 10 22.634 0.015 5.760 1.00 0.00 H new ATOM 0 HB THR A 10 22.326 0.140 8.451 1.00 0.00 H new ATOM 0 HG1 THR A 10 22.041 -2.213 8.243 1.00 0.00 H new ATOM 0 HG21 THR A 10 20.244 -1.055 9.043 1.00 0.00 H new ATOM 0 HG22 THR A 10 19.944 0.578 8.403 1.00 0.00 H new ATOM 0 HG23 THR A 10 19.673 -0.846 7.371 1.00 0.00 H new ATOM 212 N LEU A 11 19.724 1.506 6.246 1.00 0.00 N ATOM 213 CA LEU A 11 18.427 1.763 5.635 1.00 0.00 C ATOM 214 C LEU A 11 18.592 2.433 4.275 1.00 0.00 C ATOM 215 O LEU A 11 17.653 2.478 3.479 1.00 0.00 O ATOM 216 CB LEU A 11 17.571 2.641 6.550 1.00 0.00 C ATOM 217 CG LEU A 11 18.188 3.991 6.916 1.00 0.00 C ATOM 218 CD1 LEU A 11 17.819 5.046 5.884 1.00 0.00 C ATOM 219 CD2 LEU A 11 17.740 4.422 8.307 1.00 0.00 C ATOM 0 H LEU A 11 19.877 1.991 7.130 1.00 0.00 H new ATOM 0 HA LEU A 11 17.925 0.806 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.611 2.817 6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.367 2.091 7.469 1.00 0.00 H new ATOM 0 HG LEU A 11 19.273 3.883 6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.268 6.000 6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.190 4.743 4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.735 5.153 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.188 5.385 8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.654 4.512 8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.057 3.678 9.038 1.00 0.00 H new ATOM 231 N ARG A 12 19.790 2.945 4.008 1.00 0.00 N ATOM 232 CA ARG A 12 20.065 3.599 2.741 1.00 0.00 C ATOM 233 C ARG A 12 20.185 2.577 1.613 1.00 0.00 C ATOM 234 O ARG A 12 20.211 2.939 0.437 1.00 0.00 O ATOM 235 CB ARG A 12 21.348 4.430 2.842 1.00 0.00 C ATOM 236 CG ARG A 12 21.132 5.913 2.586 1.00 0.00 C ATOM 237 CD ARG A 12 22.296 6.522 1.821 1.00 0.00 C ATOM 238 NE ARG A 12 21.999 7.874 1.357 1.00 0.00 N ATOM 239 CZ ARG A 12 22.675 8.491 0.390 1.00 0.00 C ATOM 240 NH1 ARG A 12 23.686 7.881 -0.215 1.00 0.00 N ATOM 241 NH2 ARG A 12 22.338 9.721 0.026 1.00 0.00 N ATOM 0 H ARG A 12 20.581 2.918 4.652 1.00 0.00 H new ATOM 0 HA ARG A 12 19.231 4.262 2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.779 4.300 3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 12 22.076 4.048 2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.210 6.055 2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 12 21.008 6.433 3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 12 23.178 6.544 2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 12 22.538 5.890 0.966 1.00 0.00 H new ATOM 0 HE ARG A 12 21.229 8.375 1.799 1.00 0.00 H new ATOM 0 HH11 ARG A 12 23.949 6.935 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 12 24.200 8.358 -0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 12 21.561 10.194 0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 12 22.856 10.194 -0.715 1.00 0.00 H new ATOM 255 N ARG A 13 20.249 1.298 1.976 1.00 0.00 N ATOM 256 CA ARG A 13 20.355 0.229 0.992 1.00 0.00 C ATOM 257 C ARG A 13 18.976 -0.120 0.439 1.00 0.00 C ATOM 258 O ARG A 13 18.829 -0.434 -0.742 1.00 0.00 O ATOM 259 CB ARG A 13 21.011 -1.007 1.618 1.00 0.00 C ATOM 260 CG ARG A 13 20.109 -1.764 2.581 1.00 0.00 C ATOM 261 CD ARG A 13 20.910 -2.423 3.692 1.00 0.00 C ATOM 262 NE ARG A 13 20.073 -2.773 4.836 1.00 0.00 N ATOM 263 CZ ARG A 13 19.296 -3.853 4.885 1.00 0.00 C ATOM 264 NH1 ARG A 13 19.247 -4.692 3.857 1.00 0.00 N ATOM 265 NH2 ARG A 13 18.565 -4.096 5.965 1.00 0.00 N ATOM 0 H ARG A 13 20.229 0.979 2.945 1.00 0.00 H new ATOM 0 HA ARG A 13 20.981 0.573 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 13 21.324 -1.683 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 13 21.913 -0.699 2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 13 19.380 -1.079 3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.548 -2.523 2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 13 21.392 -3.322 3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 13 21.703 -1.749 4.016 1.00 0.00 H new ATOM 0 HE ARG A 13 20.084 -2.153 5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.807 -4.511 3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.650 -5.518 3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.598 -3.455 6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.970 -4.923 6.002 1.00 0.00 H new ATOM 279 N LEU A 14 17.970 -0.053 1.305 1.00 0.00 N ATOM 280 CA LEU A 14 16.599 -0.351 0.909 1.00 0.00 C ATOM 281 C LEU A 14 16.067 0.721 -0.037 1.00 0.00 C ATOM 282 O LEU A 14 15.555 0.416 -1.114 1.00 0.00 O ATOM 283 CB LEU A 14 15.699 -0.454 2.143 1.00 0.00 C ATOM 284 CG LEU A 14 15.679 -1.830 2.816 1.00 0.00 C ATOM 285 CD1 LEU A 14 16.475 -1.804 4.111 1.00 0.00 C ATOM 286 CD2 LEU A 14 14.248 -2.278 3.077 1.00 0.00 C ATOM 0 H LEU A 14 18.079 0.205 2.286 1.00 0.00 H new ATOM 0 HA LEU A 14 16.595 -1.308 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.024 0.287 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.681 -0.192 1.855 1.00 0.00 H new ATOM 0 HG LEU A 14 16.145 -2.548 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.449 -2.790 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.508 -1.531 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.039 -1.072 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.255 -3.257 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.755 -1.558 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.708 -2.340 2.132 1.00 0.00 H new ATOM 298 N LEU A 15 16.195 1.981 0.373 1.00 0.00 N ATOM 299 CA LEU A 15 15.730 3.100 -0.437 1.00 0.00 C ATOM 300 C LEU A 15 16.461 3.145 -1.774 1.00 0.00 C ATOM 301 O LEU A 15 15.854 3.385 -2.818 1.00 0.00 O ATOM 302 CB LEU A 15 15.933 4.417 0.314 1.00 0.00 C ATOM 303 CG LEU A 15 15.347 4.454 1.727 1.00 0.00 C ATOM 304 CD1 LEU A 15 16.008 5.549 2.549 1.00 0.00 C ATOM 305 CD2 LEU A 15 13.841 4.661 1.671 1.00 0.00 C ATOM 0 H LEU A 15 16.617 2.251 1.262 1.00 0.00 H new ATOM 0 HA LEU A 15 14.667 2.960 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.002 4.622 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.487 5.223 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 15 15.545 3.497 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.579 5.561 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.079 5.358 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.840 6.514 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.439 4.685 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.622 5.604 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.381 3.842 1.118 1.00 0.00 H new ATOM 317 N GLN A 16 17.770 2.914 -1.735 1.00 0.00 N ATOM 318 CA GLN A 16 18.588 2.931 -2.943 1.00 0.00 C ATOM 319 C GLN A 16 18.389 1.658 -3.764 1.00 0.00 C ATOM 320 O GLN A 16 18.709 1.621 -4.952 1.00 0.00 O ATOM 321 CB GLN A 16 20.064 3.089 -2.580 1.00 0.00 C ATOM 322 CG GLN A 16 20.448 4.510 -2.202 1.00 0.00 C ATOM 323 CD GLN A 16 21.921 4.794 -2.425 1.00 0.00 C ATOM 324 OE1 GLN A 16 22.292 5.529 -3.340 1.00 0.00 O ATOM 325 NE2 GLN A 16 22.770 4.211 -1.586 1.00 0.00 N ATOM 0 H GLN A 16 18.287 2.713 -0.879 1.00 0.00 H new ATOM 0 HA GLN A 16 18.273 3.781 -3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.298 2.425 -1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.674 2.769 -3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 16 19.854 5.211 -2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 16 20.203 4.682 -1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 16 22.419 3.609 -0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 16 23.773 4.365 -1.686 1.00 0.00 H new ATOM 334 N GLU A 17 17.859 0.617 -3.128 1.00 0.00 N ATOM 335 CA GLU A 17 17.622 -0.651 -3.808 1.00 0.00 C ATOM 336 C GLU A 17 16.486 -0.518 -4.818 1.00 0.00 C ATOM 337 O GLU A 17 16.479 -1.187 -5.852 1.00 0.00 O ATOM 338 CB GLU A 17 17.295 -1.747 -2.791 1.00 0.00 C ATOM 339 CG GLU A 17 18.444 -2.712 -2.548 1.00 0.00 C ATOM 340 CD GLU A 17 18.012 -4.165 -2.613 1.00 0.00 C ATOM 341 OE1 GLU A 17 16.926 -4.485 -2.086 1.00 0.00 O ATOM 342 OE2 GLU A 17 18.759 -4.981 -3.193 1.00 0.00 O ATOM 0 H GLU A 17 17.586 0.627 -2.145 1.00 0.00 H new ATOM 0 HA GLU A 17 18.531 -0.926 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 17 17.015 -1.282 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.428 -2.308 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 17 19.224 -2.536 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 17 18.882 -2.511 -1.570 1.00 0.00 H new ATOM 349 N ARG A 18 15.530 0.350 -4.510 1.00 0.00 N ATOM 350 CA ARG A 18 14.387 0.575 -5.387 1.00 0.00 C ATOM 351 C ARG A 18 14.829 1.140 -6.736 1.00 0.00 C ATOM 352 O ARG A 18 14.105 1.038 -7.727 1.00 0.00 O ATOM 353 CB ARG A 18 13.395 1.531 -4.724 1.00 0.00 C ATOM 354 CG ARG A 18 13.076 1.171 -3.282 1.00 0.00 C ATOM 355 CD ARG A 18 11.631 1.488 -2.935 1.00 0.00 C ATOM 356 NE ARG A 18 10.697 0.584 -3.604 1.00 0.00 N ATOM 357 CZ ARG A 18 9.439 0.397 -3.214 1.00 0.00 C ATOM 358 NH1 ARG A 18 8.958 1.048 -2.162 1.00 0.00 N ATOM 359 NH2 ARG A 18 8.658 -0.445 -3.878 1.00 0.00 N ATOM 0 H ARG A 18 15.524 0.911 -3.658 1.00 0.00 H new ATOM 0 HA ARG A 18 13.902 -0.386 -5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.800 2.542 -4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.470 1.540 -5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.266 0.110 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.740 1.719 -2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.493 1.418 -1.856 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.407 2.516 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 18 11.029 0.066 -4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.554 1.696 -1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.992 0.900 -1.868 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.022 -0.948 -4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.693 -0.589 -3.580 1.00 0.00 H new ATOM 373 N GLU A 19 16.018 1.736 -6.768 1.00 0.00 N ATOM 374 CA GLU A 19 16.553 2.317 -7.996 1.00 0.00 C ATOM 375 C GLU A 19 16.517 1.311 -9.144 1.00 0.00 C ATOM 376 O GLU A 19 16.396 1.689 -10.309 1.00 0.00 O ATOM 377 CB GLU A 19 17.986 2.798 -7.773 1.00 0.00 C ATOM 378 CG GLU A 19 18.102 3.914 -6.747 1.00 0.00 C ATOM 379 CD GLU A 19 18.577 5.220 -7.353 1.00 0.00 C ATOM 380 OE1 GLU A 19 17.852 5.780 -8.200 1.00 0.00 O ATOM 381 OE2 GLU A 19 19.676 5.681 -6.980 1.00 0.00 O ATOM 0 H GLU A 19 16.630 1.829 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 19 15.926 3.167 -8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.597 1.955 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.396 3.144 -8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.132 4.069 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.794 3.610 -5.962 1.00 0.00 H new ATOM 388 N LEU A 20 16.627 0.031 -8.807 1.00 0.00 N ATOM 389 CA LEU A 20 16.609 -1.027 -9.811 1.00 0.00 C ATOM 390 C LEU A 20 15.200 -1.586 -9.991 1.00 0.00 C ATOM 391 O LEU A 20 14.998 -2.799 -10.003 1.00 0.00 O ATOM 392 CB LEU A 20 17.571 -2.150 -9.413 1.00 0.00 C ATOM 393 CG LEU A 20 17.177 -2.923 -8.152 1.00 0.00 C ATOM 394 CD1 LEU A 20 16.785 -4.351 -8.497 1.00 0.00 C ATOM 395 CD2 LEU A 20 18.314 -2.911 -7.140 1.00 0.00 C ATOM 0 H LEU A 20 16.729 -0.299 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 20 16.932 -0.599 -10.760 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.648 -2.853 -10.243 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.563 -1.723 -9.264 1.00 0.00 H new ATOM 0 HG LEU A 20 16.313 -2.430 -7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.509 -4.883 -7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.937 -4.340 -9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.628 -4.855 -8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.015 -3.465 -6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.196 -3.377 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.546 -1.882 -6.865 1.00 0.00 H new ATOM 407 N VAL A 21 14.228 -0.690 -10.131 1.00 0.00 N ATOM 408 CA VAL A 21 12.838 -1.094 -10.312 1.00 0.00 C ATOM 409 C VAL A 21 12.122 -0.175 -11.297 1.00 0.00 C ATOM 410 O VAL A 21 11.750 -0.594 -12.393 1.00 0.00 O ATOM 411 CB VAL A 21 12.074 -1.092 -8.975 1.00 0.00 C ATOM 412 CG1 VAL A 21 10.690 -1.697 -9.150 1.00 0.00 C ATOM 413 CG2 VAL A 21 12.861 -1.841 -7.910 1.00 0.00 C ATOM 0 H VAL A 21 14.377 0.319 -10.123 1.00 0.00 H new ATOM 0 HA VAL A 21 12.853 -2.108 -10.711 1.00 0.00 H new ATOM 0 HB VAL A 21 11.954 -0.059 -8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.165 -1.687 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.128 -1.114 -9.879 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.784 -2.724 -9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.306 -1.829 -6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.014 -2.872 -8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.828 -1.359 -7.766 1.00 0.00 H new ATOM 423 N GLU A 22 11.931 1.079 -10.899 1.00 0.00 N ATOM 424 CA GLU A 22 11.259 2.055 -11.748 1.00 0.00 C ATOM 425 C GLU A 22 11.831 3.457 -11.524 1.00 0.00 C ATOM 426 O GLU A 22 11.695 4.021 -10.439 1.00 0.00 O ATOM 427 CB GLU A 22 9.755 2.057 -11.468 1.00 0.00 C ATOM 428 CG GLU A 22 9.104 0.694 -11.644 1.00 0.00 C ATOM 429 CD GLU A 22 7.620 0.791 -11.938 1.00 0.00 C ATOM 430 OE1 GLU A 22 6.932 1.589 -11.267 1.00 0.00 O ATOM 431 OE2 GLU A 22 7.145 0.068 -12.840 1.00 0.00 O ATOM 0 H GLU A 22 12.232 1.442 -9.995 1.00 0.00 H new ATOM 0 HA GLU A 22 11.428 1.773 -12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.584 2.404 -10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.270 2.771 -12.134 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.598 0.162 -12.457 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.254 0.104 -10.740 1.00 0.00 H new ATOM 438 N PRO A 23 12.483 4.037 -12.548 1.00 0.00 N ATOM 439 CA PRO A 23 13.077 5.375 -12.448 1.00 0.00 C ATOM 440 C PRO A 23 12.069 6.434 -12.010 1.00 0.00 C ATOM 441 O PRO A 23 12.450 7.490 -11.503 1.00 0.00 O ATOM 442 CB PRO A 23 13.562 5.662 -13.872 1.00 0.00 C ATOM 443 CG PRO A 23 13.749 4.321 -14.489 1.00 0.00 C ATOM 444 CD PRO A 23 12.699 3.437 -13.879 1.00 0.00 C ATOM 0 HA PRO A 23 13.867 5.407 -11.698 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.833 6.254 -14.426 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.494 6.228 -13.866 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.637 4.370 -15.572 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.749 3.935 -14.289 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.784 3.431 -14.471 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.037 2.403 -13.805 1.00 0.00 H new ATOM 452 N LEU A 24 10.785 6.150 -12.206 1.00 0.00 N ATOM 453 CA LEU A 24 9.734 7.089 -11.827 1.00 0.00 C ATOM 454 C LEU A 24 9.023 6.637 -10.554 1.00 0.00 C ATOM 455 O LEU A 24 8.737 7.449 -9.675 1.00 0.00 O ATOM 456 CB LEU A 24 8.725 7.262 -12.969 1.00 0.00 C ATOM 457 CG LEU A 24 7.956 6.002 -13.373 1.00 0.00 C ATOM 458 CD1 LEU A 24 6.632 6.372 -14.025 1.00 0.00 C ATOM 459 CD2 LEU A 24 8.791 5.142 -14.311 1.00 0.00 C ATOM 0 H LEU A 24 10.448 5.282 -12.623 1.00 0.00 H new ATOM 0 HA LEU A 24 10.204 8.052 -11.628 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.005 8.028 -12.680 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.256 7.638 -13.844 1.00 0.00 H new ATOM 0 HG LEU A 24 7.747 5.424 -12.473 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.098 5.464 -14.306 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.028 6.945 -13.322 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.820 6.972 -14.915 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.227 4.251 -14.587 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.032 5.711 -15.209 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.713 4.847 -13.810 1.00 0.00 H new ATOM 471 N THR A 25 8.745 5.337 -10.461 1.00 0.00 N ATOM 472 CA THR A 25 8.069 4.770 -9.293 1.00 0.00 C ATOM 473 C THR A 25 6.930 5.672 -8.812 1.00 0.00 C ATOM 474 O THR A 25 7.133 6.541 -7.964 1.00 0.00 O ATOM 475 CB THR A 25 9.072 4.546 -8.160 1.00 0.00 C ATOM 476 OG1 THR A 25 10.208 5.377 -8.324 1.00 0.00 O ATOM 477 CG2 THR A 25 9.560 3.116 -8.069 1.00 0.00 C ATOM 0 H THR A 25 8.978 4.654 -11.182 1.00 0.00 H new ATOM 0 HA THR A 25 7.639 3.813 -9.589 1.00 0.00 H new ATOM 0 HB THR A 25 8.533 4.790 -7.244 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.794 4.998 -9.011 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.268 3.025 -7.246 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.713 2.453 -7.894 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.051 2.839 -9.002 1.00 0.00 H new ATOM 485 N PRO A 26 5.714 5.477 -9.351 1.00 0.00 N ATOM 486 CA PRO A 26 4.545 6.280 -8.974 1.00 0.00 C ATOM 487 C PRO A 26 4.076 5.997 -7.550 1.00 0.00 C ATOM 488 O PRO A 26 3.409 6.826 -6.931 1.00 0.00 O ATOM 489 CB PRO A 26 3.477 5.853 -9.983 1.00 0.00 C ATOM 490 CG PRO A 26 3.881 4.483 -10.406 1.00 0.00 C ATOM 491 CD PRO A 26 5.384 4.465 -10.371 1.00 0.00 C ATOM 0 HA PRO A 26 4.765 7.347 -8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.485 5.851 -9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.440 6.535 -10.833 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.466 3.730 -9.736 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.511 4.259 -11.407 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.768 3.481 -10.100 1.00 0.00 H new ATOM 0 HD3 PRO A 26 5.812 4.718 -11.341 1.00 0.00 H new ATOM 499 N SER A 27 4.423 4.821 -7.035 1.00 0.00 N ATOM 500 CA SER A 27 4.030 4.434 -5.684 1.00 0.00 C ATOM 501 C SER A 27 5.051 3.475 -5.072 1.00 0.00 C ATOM 502 O SER A 27 4.695 2.399 -4.592 1.00 0.00 O ATOM 503 CB SER A 27 2.647 3.779 -5.705 1.00 0.00 C ATOM 504 OG SER A 27 2.338 3.199 -4.450 1.00 0.00 O ATOM 0 H SER A 27 4.974 4.121 -7.531 1.00 0.00 H new ATOM 0 HA SER A 27 3.992 5.334 -5.070 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.893 4.523 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.615 3.014 -6.480 1.00 0.00 H new ATOM 0 HG SER A 27 2.971 2.476 -4.259 1.00 0.00 H new ATOM 510 N GLY A 28 6.323 3.870 -5.092 1.00 0.00 N ATOM 511 CA GLY A 28 7.365 3.028 -4.537 1.00 0.00 C ATOM 512 C GLY A 28 8.715 3.716 -4.514 1.00 0.00 C ATOM 513 O GLY A 28 9.738 3.106 -4.825 1.00 0.00 O ATOM 0 H GLY A 28 6.647 4.755 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.091 2.737 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.438 2.111 -5.122 1.00 0.00 H new ATOM 517 N GLU A 29 8.718 4.991 -4.146 1.00 0.00 N ATOM 518 CA GLU A 29 9.950 5.767 -4.085 1.00 0.00 C ATOM 519 C GLU A 29 9.764 7.021 -3.238 1.00 0.00 C ATOM 520 O GLU A 29 10.591 7.330 -2.379 1.00 0.00 O ATOM 521 CB GLU A 29 10.406 6.152 -5.493 1.00 0.00 C ATOM 522 CG GLU A 29 11.769 6.824 -5.529 1.00 0.00 C ATOM 523 CD GLU A 29 11.774 8.094 -6.356 1.00 0.00 C ATOM 524 OE1 GLU A 29 10.906 8.961 -6.117 1.00 0.00 O ATOM 525 OE2 GLU A 29 12.643 8.222 -7.244 1.00 0.00 O ATOM 0 H GLU A 29 7.880 5.510 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 29 10.716 5.147 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.435 5.257 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.668 6.822 -5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.081 7.057 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.502 6.128 -5.936 1.00 0.00 H new ATOM 532 N ALA A 30 8.675 7.741 -3.484 1.00 0.00 N ATOM 533 CA ALA A 30 8.383 8.961 -2.743 1.00 0.00 C ATOM 534 C ALA A 30 7.040 8.855 -2.024 1.00 0.00 C ATOM 535 O ALA A 30 5.985 8.955 -2.650 1.00 0.00 O ATOM 536 CB ALA A 30 8.387 10.159 -3.680 1.00 0.00 C ATOM 0 H ALA A 30 7.980 7.500 -4.191 1.00 0.00 H new ATOM 0 HA ALA A 30 9.161 9.098 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.167 11.064 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.367 10.252 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.629 10.020 -4.451 1.00 0.00 H new ATOM 542 N PRO A 31 7.057 8.651 -0.693 1.00 0.00 N ATOM 543 CA PRO A 31 5.831 8.534 0.101 1.00 0.00 C ATOM 544 C PRO A 31 4.807 9.606 -0.257 1.00 0.00 C ATOM 545 O PRO A 31 3.601 9.363 -0.226 1.00 0.00 O ATOM 546 CB PRO A 31 6.326 8.720 1.533 1.00 0.00 C ATOM 547 CG PRO A 31 7.727 8.210 1.514 1.00 0.00 C ATOM 548 CD PRO A 31 8.268 8.519 0.142 1.00 0.00 C ATOM 0 HA PRO A 31 5.319 7.587 -0.068 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.289 9.767 1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.711 8.164 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.327 8.691 2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.754 7.138 1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.856 9.437 0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.919 7.723 -0.220 1.00 0.00 H new ATOM 556 N ASN A 32 5.299 10.796 -0.592 1.00 0.00 N ATOM 557 CA ASN A 32 4.432 11.914 -0.955 1.00 0.00 C ATOM 558 C ASN A 32 3.378 11.489 -1.975 1.00 0.00 C ATOM 559 O ASN A 32 2.241 11.958 -1.935 1.00 0.00 O ATOM 560 CB ASN A 32 5.264 13.068 -1.514 1.00 0.00 C ATOM 561 CG ASN A 32 4.781 14.420 -1.028 1.00 0.00 C ATOM 562 OD1 ASN A 32 5.579 15.295 -0.695 1.00 0.00 O ATOM 563 ND2 ASN A 32 3.465 14.597 -0.984 1.00 0.00 N ATOM 0 H ASN A 32 6.296 11.011 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 32 3.918 12.246 -0.053 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.307 12.933 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.229 13.043 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.080 15.486 -0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.839 13.844 -1.270 1.00 0.00 H new ATOM 570 N GLN A 33 3.762 10.600 -2.887 1.00 0.00 N ATOM 571 CA GLN A 33 2.841 10.118 -3.911 1.00 0.00 C ATOM 572 C GLN A 33 1.773 9.219 -3.303 1.00 0.00 C ATOM 573 O GLN A 33 0.666 9.113 -3.831 1.00 0.00 O ATOM 574 CB GLN A 33 3.585 9.365 -5.008 1.00 0.00 C ATOM 575 CG GLN A 33 4.846 10.067 -5.487 1.00 0.00 C ATOM 576 CD GLN A 33 4.559 11.414 -6.122 1.00 0.00 C ATOM 577 OE1 GLN A 33 3.433 11.689 -6.538 1.00 0.00 O ATOM 578 NE2 GLN A 33 5.578 12.261 -6.201 1.00 0.00 N ATOM 0 H GLN A 33 4.699 10.201 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 33 2.358 10.990 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.850 8.374 -4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.915 9.222 -5.856 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.523 10.204 -4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.359 9.431 -6.209 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.494 11.991 -5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.445 13.182 -6.619 1.00 0.00 H new ATOM 587 N ALA A 34 2.096 8.593 -2.176 1.00 0.00 N ATOM 588 CA ALA A 34 1.143 7.733 -1.493 1.00 0.00 C ATOM 589 C ALA A 34 -0.009 8.578 -0.980 1.00 0.00 C ATOM 590 O ALA A 34 -1.167 8.349 -1.315 1.00 0.00 O ATOM 591 CB ALA A 34 1.817 6.988 -0.349 1.00 0.00 C ATOM 0 H ALA A 34 3.006 8.666 -1.720 1.00 0.00 H new ATOM 0 HA ALA A 34 0.760 6.990 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.087 6.350 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.627 6.374 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.219 7.706 0.366 1.00 0.00 H new ATOM 597 N LEU A 35 0.332 9.597 -0.206 1.00 0.00 N ATOM 598 CA LEU A 35 -0.668 10.515 0.313 1.00 0.00 C ATOM 599 C LEU A 35 -1.358 11.207 -0.857 1.00 0.00 C ATOM 600 O LEU A 35 -2.544 11.530 -0.801 1.00 0.00 O ATOM 601 CB LEU A 35 -0.026 11.552 1.237 1.00 0.00 C ATOM 602 CG LEU A 35 0.952 10.985 2.267 1.00 0.00 C ATOM 603 CD1 LEU A 35 2.193 11.860 2.365 1.00 0.00 C ATOM 604 CD2 LEU A 35 0.281 10.857 3.627 1.00 0.00 C ATOM 0 H LEU A 35 1.290 9.808 0.075 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.400 9.956 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.499 12.285 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.817 12.085 1.765 1.00 0.00 H new ATOM 0 HG LEU A 35 1.257 9.991 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.877 11.440 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.687 11.901 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.905 12.867 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.992 10.452 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.054 11.839 3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.576 10.188 3.548 1.00 0.00 H new ATOM 616 N LEU A 36 -0.586 11.428 -1.919 1.00 0.00 N ATOM 617 CA LEU A 36 -1.086 12.081 -3.119 1.00 0.00 C ATOM 618 C LEU A 36 -2.213 11.280 -3.771 1.00 0.00 C ATOM 619 O LEU A 36 -3.225 11.841 -4.179 1.00 0.00 O ATOM 620 CB LEU A 36 0.055 12.301 -4.118 1.00 0.00 C ATOM 621 CG LEU A 36 0.375 13.765 -4.429 1.00 0.00 C ATOM 622 CD1 LEU A 36 -0.710 14.376 -5.304 1.00 0.00 C ATOM 623 CD2 LEU A 36 0.540 14.561 -3.142 1.00 0.00 C ATOM 0 H LEU A 36 0.397 11.160 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.495 13.047 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.954 11.824 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.197 11.795 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 36 1.316 13.802 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.465 15.417 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.777 13.823 -6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.667 14.327 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.767 15.599 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.384 14.516 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.355 14.138 -2.555 1.00 0.00 H new ATOM 635 N ARG A 37 -2.030 9.973 -3.905 1.00 0.00 N ATOM 636 CA ARG A 37 -3.035 9.134 -4.547 1.00 0.00 C ATOM 637 C ARG A 37 -4.043 8.561 -3.557 1.00 0.00 C ATOM 638 O ARG A 37 -5.184 8.298 -3.916 1.00 0.00 O ATOM 639 CB ARG A 37 -2.337 7.995 -5.297 1.00 0.00 C ATOM 640 CG ARG A 37 -3.071 7.527 -6.541 1.00 0.00 C ATOM 641 CD ARG A 37 -2.103 7.164 -7.654 1.00 0.00 C ATOM 642 NE ARG A 37 -1.281 6.006 -7.306 1.00 0.00 N ATOM 643 CZ ARG A 37 -0.635 5.259 -8.198 1.00 0.00 C ATOM 644 NH1 ARG A 37 -0.708 5.546 -9.493 1.00 0.00 N ATOM 645 NH2 ARG A 37 0.088 4.223 -7.795 1.00 0.00 N ATOM 0 H ARG A 37 -1.202 9.473 -3.581 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.594 9.762 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.336 8.321 -5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.217 7.149 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.688 6.662 -6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.744 8.312 -6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.661 6.952 -8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.458 8.016 -7.866 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.198 5.756 -6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.261 6.343 -9.808 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.211 4.970 -10.172 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.149 3.999 -6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.583 3.650 -8.478 1.00 0.00 H new ATOM 659 N ILE A 38 -3.644 8.383 -2.314 1.00 0.00 N ATOM 660 CA ILE A 38 -4.559 7.844 -1.318 1.00 0.00 C ATOM 661 C ILE A 38 -5.610 8.871 -0.926 1.00 0.00 C ATOM 662 O ILE A 38 -6.797 8.555 -0.833 1.00 0.00 O ATOM 663 CB ILE A 38 -3.808 7.368 -0.063 1.00 0.00 C ATOM 664 CG1 ILE A 38 -2.719 6.371 -0.467 1.00 0.00 C ATOM 665 CG2 ILE A 38 -4.776 6.750 0.937 1.00 0.00 C ATOM 666 CD1 ILE A 38 -3.203 4.941 -0.599 1.00 0.00 C ATOM 0 H ILE A 38 -2.709 8.598 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.055 6.986 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.336 8.223 0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.288 6.686 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.919 6.405 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.227 6.419 1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.519 7.492 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.276 5.896 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.370 4.300 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.606 4.604 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.981 4.889 -1.360 1.00 0.00 H new ATOM 678 N LEU A 39 -5.169 10.097 -0.683 1.00 0.00 N ATOM 679 CA LEU A 39 -6.072 11.166 -0.286 1.00 0.00 C ATOM 680 C LEU A 39 -6.954 11.632 -1.444 1.00 0.00 C ATOM 681 O LEU A 39 -8.054 12.142 -1.225 1.00 0.00 O ATOM 682 CB LEU A 39 -5.267 12.350 0.260 1.00 0.00 C ATOM 683 CG LEU A 39 -6.099 13.549 0.728 1.00 0.00 C ATOM 684 CD1 LEU A 39 -5.911 13.786 2.218 1.00 0.00 C ATOM 685 CD2 LEU A 39 -5.730 14.797 -0.060 1.00 0.00 C ATOM 0 H LEU A 39 -4.190 10.376 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.727 10.771 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.661 12.001 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.578 12.687 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.150 13.325 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.511 14.642 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.228 12.901 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.860 13.985 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.331 15.637 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.674 15.021 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.920 14.628 -1.120 1.00 0.00 H new ATOM 697 N LYS A 40 -6.458 11.500 -2.671 1.00 0.00 N ATOM 698 CA LYS A 40 -7.207 11.960 -3.838 1.00 0.00 C ATOM 699 C LYS A 40 -7.965 10.846 -4.556 1.00 0.00 C ATOM 700 O LYS A 40 -8.940 11.118 -5.259 1.00 0.00 O ATOM 701 CB LYS A 40 -6.264 12.649 -4.820 1.00 0.00 C ATOM 702 CG LYS A 40 -5.809 14.018 -4.351 1.00 0.00 C ATOM 703 CD LYS A 40 -4.756 13.912 -3.259 1.00 0.00 C ATOM 704 CE LYS A 40 -3.421 14.464 -3.727 1.00 0.00 C ATOM 705 NZ LYS A 40 -3.518 15.895 -4.124 1.00 0.00 N ATOM 0 H LYS A 40 -5.551 11.083 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.955 12.660 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.390 12.017 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.763 12.750 -5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.404 14.577 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.666 14.579 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.088 14.457 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.638 12.869 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.685 14.358 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.062 13.877 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.613 16.371 -3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.735 15.960 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.274 16.356 -3.579 1.00 0.00 H new ATOM 719 N GLU A 41 -7.510 9.605 -4.426 1.00 0.00 N ATOM 720 CA GLU A 41 -8.168 8.503 -5.128 1.00 0.00 C ATOM 721 C GLU A 41 -8.563 7.345 -4.218 1.00 0.00 C ATOM 722 O GLU A 41 -8.745 6.224 -4.695 1.00 0.00 O ATOM 723 CB GLU A 41 -7.250 7.995 -6.234 1.00 0.00 C ATOM 724 CG GLU A 41 -6.233 6.970 -5.767 1.00 0.00 C ATOM 725 CD GLU A 41 -6.141 5.770 -6.689 1.00 0.00 C ATOM 726 OE1 GLU A 41 -6.089 5.969 -7.921 1.00 0.00 O ATOM 727 OE2 GLU A 41 -6.121 4.630 -6.179 1.00 0.00 O ATOM 0 H GLU A 41 -6.708 9.337 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.096 8.900 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.858 7.555 -7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.722 8.842 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.254 7.443 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.498 6.633 -4.765 1.00 0.00 H new ATOM 734 N THR A 42 -8.690 7.591 -2.927 1.00 0.00 N ATOM 735 CA THR A 42 -9.056 6.517 -2.016 1.00 0.00 C ATOM 736 C THR A 42 -9.815 7.035 -0.807 1.00 0.00 C ATOM 737 O THR A 42 -11.014 6.816 -0.670 1.00 0.00 O ATOM 738 CB THR A 42 -7.804 5.759 -1.559 1.00 0.00 C ATOM 739 OG1 THR A 42 -7.560 4.645 -2.399 1.00 0.00 O ATOM 740 CG2 THR A 42 -7.889 5.249 -0.133 1.00 0.00 C ATOM 0 H THR A 42 -8.549 8.502 -2.491 1.00 0.00 H new ATOM 0 HA THR A 42 -9.715 5.839 -2.559 1.00 0.00 H new ATOM 0 HB THR A 42 -6.994 6.486 -1.616 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.862 4.849 -3.309 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.969 4.723 0.121 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.026 6.090 0.547 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.734 4.567 -0.040 1.00 0.00 H new ATOM 748 N GLU A 43 -9.095 7.697 0.080 1.00 0.00 N ATOM 749 CA GLU A 43 -9.682 8.220 1.306 1.00 0.00 C ATOM 750 C GLU A 43 -11.070 8.796 1.053 1.00 0.00 C ATOM 751 O GLU A 43 -12.035 8.438 1.727 1.00 0.00 O ATOM 752 CB GLU A 43 -8.775 9.288 1.915 1.00 0.00 C ATOM 753 CG GLU A 43 -8.978 10.670 1.317 1.00 0.00 C ATOM 754 CD GLU A 43 -8.234 11.749 2.078 1.00 0.00 C ATOM 755 OE1 GLU A 43 -7.190 11.434 2.684 1.00 0.00 O ATOM 756 OE2 GLU A 43 -8.700 12.908 2.070 1.00 0.00 O ATOM 0 H GLU A 43 -8.098 7.887 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.781 7.392 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.954 9.336 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.735 8.991 1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.643 10.666 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.042 10.905 1.308 1.00 0.00 H new ATOM 763 N PHE A 44 -11.150 9.714 0.099 1.00 0.00 N ATOM 764 CA PHE A 44 -12.397 10.371 -0.219 1.00 0.00 C ATOM 765 C PHE A 44 -13.503 9.363 -0.445 1.00 0.00 C ATOM 766 O PHE A 44 -14.669 9.627 -0.151 1.00 0.00 O ATOM 767 CB PHE A 44 -12.233 11.269 -1.447 1.00 0.00 C ATOM 768 CG PHE A 44 -12.375 12.733 -1.143 1.00 0.00 C ATOM 769 CD1 PHE A 44 -11.281 13.478 -0.732 1.00 0.00 C ATOM 770 CD2 PHE A 44 -13.602 13.364 -1.270 1.00 0.00 C ATOM 771 CE1 PHE A 44 -11.409 14.825 -0.452 1.00 0.00 C ATOM 772 CE2 PHE A 44 -13.736 14.712 -0.992 1.00 0.00 C ATOM 773 CZ PHE A 44 -12.638 15.443 -0.583 1.00 0.00 C ATOM 0 H PHE A 44 -10.358 10.017 -0.467 1.00 0.00 H new ATOM 0 HA PHE A 44 -12.676 10.992 0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -11.252 11.091 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -12.975 10.988 -2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.318 13.000 -0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -14.464 12.797 -1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -10.549 15.394 -0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.698 15.192 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 44 -12.740 16.496 -0.366 1.00 0.00 H new ATOM 783 N LYS A 45 -13.142 8.218 -0.998 1.00 0.00 N ATOM 784 CA LYS A 45 -14.115 7.193 -1.291 1.00 0.00 C ATOM 785 C LYS A 45 -14.412 6.307 -0.078 1.00 0.00 C ATOM 786 O LYS A 45 -15.574 6.077 0.257 1.00 0.00 O ATOM 787 CB LYS A 45 -13.638 6.369 -2.494 1.00 0.00 C ATOM 788 CG LYS A 45 -12.751 5.175 -2.160 1.00 0.00 C ATOM 789 CD LYS A 45 -11.863 4.799 -3.332 1.00 0.00 C ATOM 790 CE LYS A 45 -10.877 3.705 -2.951 1.00 0.00 C ATOM 791 NZ LYS A 45 -9.965 3.361 -4.077 1.00 0.00 N ATOM 0 H LYS A 45 -12.183 7.980 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.059 7.677 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.513 6.010 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.092 7.027 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.132 5.410 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.373 4.323 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.480 4.461 -4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.318 5.679 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.288 4.030 -2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.425 2.814 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.255 2.674 -3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.516 2.947 -4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.486 4.221 -4.411 1.00 0.00 H new ATOM 805 N LYS A 46 -13.369 5.793 0.562 1.00 0.00 N ATOM 806 CA LYS A 46 -13.544 4.916 1.713 1.00 0.00 C ATOM 807 C LYS A 46 -14.092 5.666 2.927 1.00 0.00 C ATOM 808 O LYS A 46 -14.757 5.076 3.777 1.00 0.00 O ATOM 809 CB LYS A 46 -12.219 4.240 2.071 1.00 0.00 C ATOM 810 CG LYS A 46 -11.166 5.201 2.597 1.00 0.00 C ATOM 811 CD LYS A 46 -9.764 4.647 2.404 1.00 0.00 C ATOM 812 CE LYS A 46 -9.276 3.919 3.646 1.00 0.00 C ATOM 813 NZ LYS A 46 -8.611 2.630 3.309 1.00 0.00 N ATOM 0 H LYS A 46 -12.397 5.967 0.305 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.276 4.158 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.404 3.472 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.828 3.735 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.255 6.158 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.341 5.391 3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.755 3.965 1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.080 5.461 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.578 4.556 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.119 3.730 4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.293 2.165 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.284 2.012 2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.791 2.812 2.696 1.00 0.00 H new ATOM 827 N ILE A 47 -13.802 6.961 3.014 1.00 0.00 N ATOM 828 CA ILE A 47 -14.265 7.766 4.143 1.00 0.00 C ATOM 829 C ILE A 47 -15.785 7.716 4.286 1.00 0.00 C ATOM 830 O ILE A 47 -16.302 7.439 5.369 1.00 0.00 O ATOM 831 CB ILE A 47 -13.817 9.237 4.027 1.00 0.00 C ATOM 832 CG1 ILE A 47 -14.186 9.810 2.658 1.00 0.00 C ATOM 833 CG2 ILE A 47 -12.321 9.356 4.274 1.00 0.00 C ATOM 834 CD1 ILE A 47 -15.474 10.602 2.661 1.00 0.00 C ATOM 0 H ILE A 47 -13.253 7.473 2.323 1.00 0.00 H new ATOM 0 HA ILE A 47 -13.808 7.330 5.031 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.340 9.817 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.376 10.451 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.274 8.992 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.020 10.400 4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.087 8.992 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.782 8.762 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.672 10.978 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.296 9.959 2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.384 11.441 3.351 1.00 0.00 H new ATOM 846 N LYS A 48 -16.498 7.988 3.198 1.00 0.00 N ATOM 847 CA LYS A 48 -17.957 7.973 3.225 1.00 0.00 C ATOM 848 C LYS A 48 -18.482 6.597 3.624 1.00 0.00 C ATOM 849 O LYS A 48 -19.580 6.472 4.165 1.00 0.00 O ATOM 850 CB LYS A 48 -18.525 8.379 1.861 1.00 0.00 C ATOM 851 CG LYS A 48 -18.316 7.337 0.774 1.00 0.00 C ATOM 852 CD LYS A 48 -17.909 7.978 -0.543 1.00 0.00 C ATOM 853 CE LYS A 48 -18.024 6.997 -1.699 1.00 0.00 C ATOM 854 NZ LYS A 48 -17.331 7.491 -2.920 1.00 0.00 N ATOM 0 H LYS A 48 -16.093 8.220 2.291 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.286 8.696 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.593 8.572 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.061 9.314 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.548 6.631 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -19.234 6.767 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.540 8.846 -0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.883 8.339 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.599 6.038 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.076 6.824 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -17.966 7.405 -3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.068 8.489 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.474 6.925 -3.086 1.00 0.00 H new ATOM 868 N VAL A 49 -17.683 5.568 3.362 1.00 0.00 N ATOM 869 CA VAL A 49 -18.060 4.204 3.702 1.00 0.00 C ATOM 870 C VAL A 49 -17.746 3.906 5.163 1.00 0.00 C ATOM 871 O VAL A 49 -18.533 3.267 5.862 1.00 0.00 O ATOM 872 CB VAL A 49 -17.328 3.182 2.812 1.00 0.00 C ATOM 873 CG1 VAL A 49 -17.852 1.777 3.066 1.00 0.00 C ATOM 874 CG2 VAL A 49 -17.469 3.554 1.344 1.00 0.00 C ATOM 0 H VAL A 49 -16.770 5.654 2.915 1.00 0.00 H new ATOM 0 HA VAL A 49 -19.133 4.115 3.534 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.269 3.200 3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -17.322 1.070 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -17.692 1.512 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -18.918 1.740 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.945 2.821 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -18.524 3.567 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.038 4.541 1.176 1.00 0.00 H new ATOM 884 N LEU A 50 -16.588 4.375 5.616 1.00 0.00 N ATOM 885 CA LEU A 50 -16.162 4.161 6.995 1.00 0.00 C ATOM 886 C LEU A 50 -16.965 5.035 7.952 1.00 0.00 C ATOM 887 O LEU A 50 -17.188 4.666 9.106 1.00 0.00 O ATOM 888 CB LEU A 50 -14.669 4.463 7.141 1.00 0.00 C ATOM 889 CG LEU A 50 -13.747 3.605 6.273 1.00 0.00 C ATOM 890 CD1 LEU A 50 -12.376 4.254 6.150 1.00 0.00 C ATOM 891 CD2 LEU A 50 -13.625 2.203 6.849 1.00 0.00 C ATOM 0 H LEU A 50 -15.927 4.906 5.048 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.341 3.116 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.500 5.512 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.387 4.330 8.186 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.183 3.530 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.733 3.630 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.479 5.238 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.933 4.359 7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.965 1.607 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.212 2.258 7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.610 1.738 6.886 1.00 0.00 H new ATOM 903 N GLY A 51 -17.398 6.194 7.467 1.00 0.00 N ATOM 904 CA GLY A 51 -18.174 7.100 8.293 1.00 0.00 C ATOM 905 C GLY A 51 -19.661 7.004 8.017 1.00 0.00 C ATOM 906 O GLY A 51 -20.395 7.978 8.182 1.00 0.00 O ATOM 0 H GLY A 51 -17.225 6.522 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.987 6.879 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.840 8.123 8.118 1.00 0.00 H new ATOM 910 N SER A 52 -20.105 5.826 7.594 1.00 0.00 N ATOM 911 CA SER A 52 -21.513 5.603 7.292 1.00 0.00 C ATOM 912 C SER A 52 -22.346 5.577 8.569 1.00 0.00 C ATOM 913 O SER A 52 -23.463 6.092 8.605 1.00 0.00 O ATOM 914 CB SER A 52 -21.692 4.289 6.528 1.00 0.00 C ATOM 915 OG SER A 52 -22.704 4.405 5.543 1.00 0.00 O ATOM 0 H SER A 52 -19.509 5.010 7.452 1.00 0.00 H new ATOM 0 HA SER A 52 -21.859 6.428 6.669 1.00 0.00 H new ATOM 0 HB2 SER A 52 -20.751 4.009 6.055 1.00 0.00 H new ATOM 0 HB3 SER A 52 -21.949 3.491 7.225 1.00 0.00 H new ATOM 0 HG SER A 52 -22.797 3.553 5.068 1.00 0.00 H new ATOM 921 N GLY A 53 -21.794 4.975 9.618 1.00 0.00 N ATOM 922 CA GLY A 53 -22.498 4.893 10.884 1.00 0.00 C ATOM 923 C GLY A 53 -22.697 3.463 11.346 1.00 0.00 C ATOM 924 O GLY A 53 -21.691 2.737 11.482 1.00 0.00 O ATOM 925 OXT GLY A 53 -23.861 3.068 11.572 1.00 0.00 O ATOM 0 H GLY A 53 -20.870 4.542 9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.940 5.442 11.642 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.469 5.379 10.788 1.00 0.00 H new TER 929 GLY A 53