USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 457 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 7 CYS SG : rot 15:sc= -2.95! USER MOD Set 1.2: A 24 CYS SG : rot 130:sc= 0.211 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.0733 (180deg=-0.213) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= -0.114 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.152 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.65 F(o=-5.7!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.130 -12.084 5.474 1.00 0.00 N ATOM 2 CA MET A 1 -8.674 -11.789 5.450 1.00 0.00 C ATOM 3 C MET A 1 -8.407 -10.305 5.675 1.00 0.00 C ATOM 4 O MET A 1 -9.328 -9.534 5.947 1.00 0.00 O ATOM 5 CB MET A 1 -8.108 -12.228 4.097 1.00 0.00 C ATOM 6 CG MET A 1 -8.522 -13.632 3.688 1.00 0.00 C ATOM 7 SD MET A 1 -8.334 -14.830 5.024 1.00 0.00 S ATOM 8 CE MET A 1 -9.756 -15.880 4.736 1.00 0.00 C ATOM 0 H1 MET A 1 -10.275 -13.113 5.506 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.559 -11.648 6.315 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.577 -11.698 4.618 1.00 0.00 H new ATOM 0 HA MET A 1 -8.186 -12.336 6.257 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.435 -11.525 3.331 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.020 -12.176 4.134 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.562 -13.619 3.361 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.923 -13.949 2.834 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.780 -16.673 5.484 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.667 -15.286 4.807 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.687 -16.321 3.742 1.00 0.00 H new ATOM 20 N TYR A 2 -7.141 -9.911 5.560 1.00 0.00 N ATOM 21 CA TYR A 2 -6.754 -8.518 5.751 1.00 0.00 C ATOM 22 C TYR A 2 -6.449 -7.847 4.415 1.00 0.00 C ATOM 23 O TYR A 2 -6.079 -8.508 3.444 1.00 0.00 O ATOM 24 CB TYR A 2 -5.534 -8.427 6.671 1.00 0.00 C ATOM 25 CG TYR A 2 -5.882 -8.166 8.118 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.402 -9.173 8.920 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.685 -6.912 8.684 1.00 0.00 C ATOM 28 CE1 TYR A 2 -6.720 -8.938 10.245 1.00 0.00 C ATOM 29 CE2 TYR A 2 -6.000 -6.669 10.007 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.517 -7.685 10.783 1.00 0.00 C ATOM 31 OH TYR A 2 -6.832 -7.447 12.102 1.00 0.00 O ATOM 0 H TYR A 2 -6.367 -10.537 5.336 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.591 -7.996 6.215 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.970 -9.357 6.604 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.880 -7.631 6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.561 -10.156 8.502 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.279 -6.114 8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.125 -9.732 10.855 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.842 -5.688 10.431 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.628 -6.515 12.324 1.00 0.00 H new ATOM 41 N ILE A 3 -6.625 -6.531 4.374 1.00 0.00 N ATOM 42 CA ILE A 3 -6.378 -5.754 3.167 1.00 0.00 C ATOM 43 C ILE A 3 -5.471 -4.567 3.462 1.00 0.00 C ATOM 44 O ILE A 3 -5.327 -4.158 4.614 1.00 0.00 O ATOM 45 CB ILE A 3 -7.695 -5.226 2.568 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.498 -4.474 3.631 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.515 -6.365 1.988 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.419 -3.419 3.060 1.00 0.00 C ATOM 0 H ILE A 3 -6.940 -5.977 5.170 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.894 -6.419 2.452 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.454 -4.534 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.089 -5.190 4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.807 -4.002 4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.441 -5.970 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.945 -6.861 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.749 -7.082 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.956 -2.927 3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.832 -2.681 2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.134 -3.888 2.384 1.00 0.00 H new ATOM 60 N ILE A 4 -4.891 -3.989 2.416 1.00 0.00 N ATOM 61 CA ILE A 4 -4.030 -2.825 2.570 1.00 0.00 C ATOM 62 C ILE A 4 -4.495 -1.698 1.645 1.00 0.00 C ATOM 63 O ILE A 4 -5.066 -1.948 0.586 1.00 0.00 O ATOM 64 CB ILE A 4 -2.549 -3.187 2.298 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.928 -3.817 3.547 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.741 -1.970 1.872 1.00 0.00 C ATOM 67 CD1 ILE A 4 -2.005 -5.327 3.568 1.00 0.00 C ATOM 0 H ILE A 4 -5.002 -4.308 1.454 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.101 -2.479 3.601 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.526 -3.904 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.883 -3.514 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.432 -3.424 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.707 -2.265 1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.165 -1.553 0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.771 -1.219 2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.545 -5.702 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.049 -5.639 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.476 -5.730 2.704 1.00 0.00 H new ATOM 79 N PHE A 5 -4.282 -0.459 2.070 1.00 0.00 N ATOM 80 CA PHE A 5 -4.709 0.699 1.292 1.00 0.00 C ATOM 81 C PHE A 5 -3.696 1.830 1.416 1.00 0.00 C ATOM 82 O PHE A 5 -2.593 1.630 1.926 1.00 0.00 O ATOM 83 CB PHE A 5 -6.085 1.180 1.762 1.00 0.00 C ATOM 84 CG PHE A 5 -6.449 0.733 3.148 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.096 -0.475 3.357 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.153 1.527 4.243 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.433 -0.883 4.632 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.497 1.128 5.518 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.130 -0.080 5.714 1.00 0.00 C ATOM 0 H PHE A 5 -3.817 -0.229 2.948 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.776 0.401 0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.110 2.269 1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.842 0.820 1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.339 -1.104 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.647 2.470 4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.933 -1.828 4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.270 1.762 6.362 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.389 -0.399 6.713 1.00 0.00 H new ATOM 99 N ARG A 6 -4.072 3.023 0.958 1.00 0.00 N ATOM 100 CA ARG A 6 -3.171 4.169 1.010 1.00 0.00 C ATOM 101 C ARG A 6 -3.907 5.446 1.394 1.00 0.00 C ATOM 102 O ARG A 6 -4.921 5.798 0.793 1.00 0.00 O ATOM 103 CB ARG A 6 -2.485 4.357 -0.346 1.00 0.00 C ATOM 104 CG ARG A 6 -1.360 3.368 -0.600 1.00 0.00 C ATOM 105 CD ARG A 6 -0.120 4.062 -1.137 1.00 0.00 C ATOM 106 NE ARG A 6 -0.319 4.568 -2.493 1.00 0.00 N ATOM 107 CZ ARG A 6 0.664 4.719 -3.375 1.00 0.00 C ATOM 108 NH1 ARG A 6 1.910 4.403 -3.048 1.00 0.00 N ATOM 109 NH2 ARG A 6 0.403 5.187 -4.588 1.00 0.00 N ATOM 0 H ARG A 6 -4.986 3.219 0.551 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.423 3.968 1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.229 4.260 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.087 5.370 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.115 2.848 0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.692 2.612 -1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.147 4.888 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.718 3.364 -1.130 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.265 4.820 -2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.117 4.042 -2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.661 4.520 -3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.553 5.432 -4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.158 5.302 -5.264 1.00 0.00 H new ATOM 123 N CYS A 7 -3.375 6.151 2.391 1.00 0.00 N ATOM 124 CA CYS A 7 -3.962 7.404 2.836 1.00 0.00 C ATOM 125 C CYS A 7 -3.615 8.521 1.860 1.00 0.00 C ATOM 126 O CYS A 7 -2.690 8.383 1.059 1.00 0.00 O ATOM 127 CB CYS A 7 -3.463 7.756 4.239 1.00 0.00 C ATOM 128 SG CYS A 7 -4.448 9.019 5.077 1.00 0.00 S ATOM 0 H CYS A 7 -2.538 5.872 2.903 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.045 7.290 2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.457 6.852 4.848 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.431 8.101 4.170 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.584 9.162 4.462 1.00 0.00 H new ATOM 134 N ASP A 8 -4.325 9.642 1.966 1.00 0.00 N ATOM 135 CA ASP A 8 -4.110 10.770 1.062 1.00 0.00 C ATOM 136 C ASP A 8 -2.700 11.325 1.211 1.00 0.00 C ATOM 137 O ASP A 8 -2.119 11.836 0.253 1.00 0.00 O ATOM 138 CB ASP A 8 -5.135 11.871 1.338 1.00 0.00 C ATOM 139 CG ASP A 8 -6.494 11.556 0.746 1.00 0.00 C ATOM 140 OD1 ASP A 8 -6.561 11.270 -0.467 1.00 0.00 O ATOM 141 OD2 ASP A 8 -7.492 11.595 1.497 1.00 0.00 O ATOM 0 H ASP A 8 -5.051 9.794 2.666 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.234 10.414 0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.234 12.010 2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.772 12.813 0.927 1.00 0.00 H new ATOM 146 N CYS A 9 -2.145 11.200 2.410 1.00 0.00 N ATOM 147 CA CYS A 9 -0.782 11.644 2.671 1.00 0.00 C ATOM 148 C CYS A 9 0.220 10.694 2.025 1.00 0.00 C ATOM 149 O CYS A 9 1.430 10.829 2.209 1.00 0.00 O ATOM 150 CB CYS A 9 -0.532 11.707 4.178 1.00 0.00 C ATOM 151 SG CYS A 9 -1.518 12.953 5.040 1.00 0.00 S ATOM 0 H CYS A 9 -2.618 10.795 3.217 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.654 12.638 2.242 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.743 10.729 4.611 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.524 11.912 4.352 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.237 12.927 6.309 1.00 0.00 H new ATOM 157 N GLY A 10 -0.299 9.721 1.281 1.00 0.00 N ATOM 158 CA GLY A 10 0.548 8.724 0.659 1.00 0.00 C ATOM 159 C GLY A 10 0.897 7.617 1.631 1.00 0.00 C ATOM 160 O GLY A 10 1.862 6.878 1.431 1.00 0.00 O ATOM 0 H GLY A 10 -1.296 9.607 1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.041 8.303 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.462 9.195 0.297 1.00 0.00 H new ATOM 164 N ARG A 11 0.141 7.555 2.723 1.00 0.00 N ATOM 165 CA ARG A 11 0.367 6.554 3.762 1.00 0.00 C ATOM 166 C ARG A 11 -0.229 5.206 3.374 1.00 0.00 C ATOM 167 O ARG A 11 -0.640 5.004 2.233 1.00 0.00 O ATOM 168 CB ARG A 11 -0.229 7.029 5.089 1.00 0.00 C ATOM 169 CG ARG A 11 0.288 8.387 5.534 1.00 0.00 C ATOM 170 CD ARG A 11 1.546 8.253 6.377 1.00 0.00 C ATOM 171 NE ARG A 11 1.355 7.343 7.503 1.00 0.00 N ATOM 172 CZ ARG A 11 2.116 7.348 8.593 1.00 0.00 C ATOM 173 NH1 ARG A 11 3.116 8.213 8.703 1.00 0.00 N ATOM 174 NH2 ARG A 11 1.880 6.486 9.572 1.00 0.00 N ATOM 0 H ARG A 11 -0.636 8.188 2.912 1.00 0.00 H new ATOM 0 HA ARG A 11 1.443 6.426 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.314 7.075 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.007 6.293 5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.498 9.002 4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.483 8.901 6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.364 7.892 5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.839 9.235 6.750 1.00 0.00 H new ATOM 0 HE ARG A 11 0.595 6.665 7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.302 8.876 7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.699 8.215 9.540 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.114 5.818 9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.465 6.491 10.408 1.00 0.00 H new ATOM 188 N ALA A 12 -0.262 4.284 4.334 1.00 0.00 N ATOM 189 CA ALA A 12 -0.817 2.954 4.108 1.00 0.00 C ATOM 190 C ALA A 12 -1.237 2.309 5.426 1.00 0.00 C ATOM 191 O ALA A 12 -0.606 2.528 6.460 1.00 0.00 O ATOM 192 CB ALA A 12 0.191 2.075 3.387 1.00 0.00 C ATOM 0 H ALA A 12 0.091 4.436 5.279 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.703 3.057 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.238 1.086 3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.442 2.523 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.093 1.985 3.992 1.00 0.00 H new ATOM 198 N LEU A 13 -2.307 1.517 5.387 1.00 0.00 N ATOM 199 CA LEU A 13 -2.794 0.836 6.585 1.00 0.00 C ATOM 200 C LEU A 13 -3.355 -0.548 6.251 1.00 0.00 C ATOM 201 O LEU A 13 -3.239 -1.019 5.121 1.00 0.00 O ATOM 202 CB LEU A 13 -3.859 1.682 7.283 1.00 0.00 C ATOM 203 CG LEU A 13 -3.328 2.635 8.357 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.131 3.926 8.370 1.00 0.00 C ATOM 205 CD2 LEU A 13 -3.363 1.968 9.723 1.00 0.00 C ATOM 0 H LEU A 13 -2.851 1.332 4.544 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.948 0.703 7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.388 2.266 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.589 1.014 7.740 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.293 2.880 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.739 4.591 9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.054 4.412 7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.176 3.702 8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.982 2.659 10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.389 1.694 9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.743 1.072 9.706 1.00 0.00 H new ATOM 217 N TYR A 14 -3.959 -1.193 7.250 1.00 0.00 N ATOM 218 CA TYR A 14 -4.531 -2.528 7.077 1.00 0.00 C ATOM 219 C TYR A 14 -5.893 -2.637 7.764 1.00 0.00 C ATOM 220 O TYR A 14 -6.104 -2.065 8.834 1.00 0.00 O ATOM 221 CB TYR A 14 -3.580 -3.585 7.644 1.00 0.00 C ATOM 222 CG TYR A 14 -3.134 -3.303 9.061 1.00 0.00 C ATOM 223 CD1 TYR A 14 -3.868 -3.768 10.146 1.00 0.00 C ATOM 224 CD2 TYR A 14 -1.979 -2.575 9.316 1.00 0.00 C ATOM 225 CE1 TYR A 14 -3.465 -3.512 11.443 1.00 0.00 C ATOM 226 CE2 TYR A 14 -1.569 -2.316 10.609 1.00 0.00 C ATOM 227 CZ TYR A 14 -2.315 -2.786 11.670 1.00 0.00 C ATOM 228 OH TYR A 14 -1.910 -2.531 12.959 1.00 0.00 O ATOM 0 H TYR A 14 -4.065 -0.811 8.190 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.670 -2.700 6.010 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.072 -4.557 7.614 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.701 -3.652 7.002 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.768 -4.339 9.973 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.391 -2.205 8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.048 -3.879 12.275 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.668 -1.748 10.789 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.081 -2.009 12.944 1.00 0.00 H new ATOM 238 N SER A 15 -6.811 -3.376 7.144 1.00 0.00 N ATOM 239 CA SER A 15 -8.149 -3.570 7.703 1.00 0.00 C ATOM 240 C SER A 15 -8.771 -4.863 7.181 1.00 0.00 C ATOM 241 O SER A 15 -8.106 -5.655 6.519 1.00 0.00 O ATOM 242 CB SER A 15 -9.049 -2.382 7.358 1.00 0.00 C ATOM 243 OG SER A 15 -10.243 -2.405 8.120 1.00 0.00 O ATOM 0 H SER A 15 -6.654 -3.850 6.255 1.00 0.00 H new ATOM 0 HA SER A 15 -8.056 -3.641 8.787 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.514 -1.451 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.292 -2.403 6.296 1.00 0.00 H new ATOM 0 HG SER A 15 -10.799 -1.634 7.881 1.00 0.00 H new ATOM 249 N ARG A 16 -10.045 -5.079 7.495 1.00 0.00 N ATOM 250 CA ARG A 16 -10.746 -6.277 7.045 1.00 0.00 C ATOM 251 C ARG A 16 -11.120 -6.173 5.570 1.00 0.00 C ATOM 252 O ARG A 16 -11.406 -5.087 5.065 1.00 0.00 O ATOM 253 CB ARG A 16 -12.000 -6.514 7.887 1.00 0.00 C ATOM 254 CG ARG A 16 -13.107 -5.503 7.639 1.00 0.00 C ATOM 255 CD ARG A 16 -14.457 -6.186 7.504 1.00 0.00 C ATOM 256 NE ARG A 16 -15.351 -5.464 6.602 1.00 0.00 N ATOM 257 CZ ARG A 16 -16.644 -5.272 6.842 1.00 0.00 C ATOM 258 NH1 ARG A 16 -17.194 -5.747 7.952 1.00 0.00 N ATOM 259 NH2 ARG A 16 -17.390 -4.606 5.971 1.00 0.00 N ATOM 0 H ARG A 16 -10.611 -4.443 8.057 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.071 -7.124 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.381 -7.514 7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.728 -6.489 8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.140 -4.787 8.460 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.890 -4.938 6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.314 -7.202 7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.922 -6.266 8.487 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.961 -5.086 5.739 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.624 -6.261 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.187 -5.598 8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.972 -4.240 5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.382 -4.459 6.156 1.00 0.00 H new ATOM 273 N GLU A 17 -11.110 -7.313 4.885 1.00 0.00 N ATOM 274 CA GLU A 17 -11.449 -7.365 3.467 1.00 0.00 C ATOM 275 C GLU A 17 -12.833 -6.777 3.206 1.00 0.00 C ATOM 276 O GLU A 17 -13.849 -7.394 3.526 1.00 0.00 O ATOM 277 CB GLU A 17 -11.399 -8.810 2.966 1.00 0.00 C ATOM 278 CG GLU A 17 -10.938 -8.940 1.523 1.00 0.00 C ATOM 279 CD GLU A 17 -11.499 -10.172 0.842 1.00 0.00 C ATOM 280 OE1 GLU A 17 -10.929 -11.267 1.032 1.00 0.00 O ATOM 281 OE2 GLU A 17 -12.509 -10.044 0.118 1.00 0.00 O ATOM 0 H GLU A 17 -10.870 -8.217 5.292 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.716 -6.767 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.729 -9.384 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.390 -9.254 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.240 -8.052 0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.849 -8.978 1.495 1.00 0.00 H new ATOM 288 N GLY A 18 -12.868 -5.587 2.611 1.00 0.00 N ATOM 289 CA GLY A 18 -14.136 -4.950 2.303 1.00 0.00 C ATOM 290 C GLY A 18 -14.109 -3.448 2.510 1.00 0.00 C ATOM 291 O GLY A 18 -15.073 -2.755 2.181 1.00 0.00 O ATOM 0 H GLY A 18 -12.042 -5.054 2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.402 -5.164 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.916 -5.384 2.929 1.00 0.00 H new ATOM 295 N ALA A 19 -13.017 -2.946 3.077 1.00 0.00 N ATOM 296 CA ALA A 19 -12.876 -1.516 3.324 1.00 0.00 C ATOM 297 C ALA A 19 -12.583 -0.765 2.031 1.00 0.00 C ATOM 298 O ALA A 19 -11.507 -0.906 1.451 1.00 0.00 O ATOM 299 CB ALA A 19 -11.780 -1.259 4.348 1.00 0.00 C ATOM 0 H ALA A 19 -12.218 -3.507 3.374 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.820 -1.147 3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.688 -0.187 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.033 -1.757 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.834 -1.649 3.974 1.00 0.00 H new ATOM 305 N LYS A 20 -13.553 0.023 1.574 1.00 0.00 N ATOM 306 CA LYS A 20 -13.391 0.805 0.355 1.00 0.00 C ATOM 307 C LYS A 20 -12.804 2.176 0.667 1.00 0.00 C ATOM 308 O LYS A 20 -12.007 2.713 -0.104 1.00 0.00 O ATOM 309 CB LYS A 20 -14.735 0.962 -0.360 1.00 0.00 C ATOM 310 CG LYS A 20 -14.997 -0.110 -1.403 1.00 0.00 C ATOM 311 CD LYS A 20 -15.598 -1.359 -0.779 1.00 0.00 C ATOM 312 CE LYS A 20 -14.774 -2.594 -1.102 1.00 0.00 C ATOM 313 NZ LYS A 20 -14.840 -2.946 -2.547 1.00 0.00 N ATOM 0 H LYS A 20 -14.458 0.136 2.030 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.701 0.273 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.535 0.941 0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.770 1.940 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.673 0.279 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.064 -0.366 -1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.659 -1.234 0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.617 -1.495 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.736 -2.422 -0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.132 -3.434 -0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.264 -3.794 -2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.827 -3.136 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.474 -2.155 -3.114 1.00 0.00 H new ATOM 327 N THR A 21 -13.205 2.739 1.801 1.00 0.00 N ATOM 328 CA THR A 21 -12.716 4.046 2.217 1.00 0.00 C ATOM 329 C THR A 21 -12.576 4.122 3.732 1.00 0.00 C ATOM 330 O THR A 21 -13.570 4.150 4.459 1.00 0.00 O ATOM 331 CB THR A 21 -13.655 5.147 1.723 1.00 0.00 C ATOM 332 OG1 THR A 21 -15.001 4.706 1.745 1.00 0.00 O ATOM 333 CG2 THR A 21 -13.345 5.608 0.317 1.00 0.00 C ATOM 0 H THR A 21 -13.867 2.310 2.448 1.00 0.00 H new ATOM 0 HA THR A 21 -11.731 4.193 1.774 1.00 0.00 H new ATOM 0 HB THR A 21 -13.504 5.984 2.405 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.586 5.425 1.427 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.047 6.390 0.027 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.329 6.001 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.435 4.767 -0.370 1.00 0.00 H new ATOM 341 N ARG A 22 -11.334 4.162 4.200 1.00 0.00 N ATOM 342 CA ARG A 22 -11.056 4.247 5.627 1.00 0.00 C ATOM 343 C ARG A 22 -10.975 5.703 6.072 1.00 0.00 C ATOM 344 O ARG A 22 -11.298 6.612 5.307 1.00 0.00 O ATOM 345 CB ARG A 22 -9.746 3.527 5.957 1.00 0.00 C ATOM 346 CG ARG A 22 -9.932 2.066 6.339 1.00 0.00 C ATOM 347 CD ARG A 22 -10.590 1.926 7.703 1.00 0.00 C ATOM 348 NE ARG A 22 -9.937 2.753 8.713 1.00 0.00 N ATOM 349 CZ ARG A 22 -9.416 2.271 9.838 1.00 0.00 C ATOM 350 NH1 ARG A 22 -9.473 0.971 10.096 1.00 0.00 N ATOM 351 NH2 ARG A 22 -8.839 3.089 10.706 1.00 0.00 N ATOM 0 H ARG A 22 -10.502 4.137 3.610 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.872 3.763 6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.082 3.586 5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.252 4.048 6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.542 1.567 5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.964 1.565 6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.641 2.206 7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.560 0.882 8.015 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.877 3.758 8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.917 0.338 9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.073 0.604 10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.794 4.089 10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.440 2.718 11.568 1.00 0.00 H new ATOM 365 N LYS A 23 -10.548 5.920 7.311 1.00 0.00 N ATOM 366 CA LYS A 23 -10.428 7.267 7.848 1.00 0.00 C ATOM 367 C LYS A 23 -9.321 7.340 8.891 1.00 0.00 C ATOM 368 O LYS A 23 -9.131 6.410 9.676 1.00 0.00 O ATOM 369 CB LYS A 23 -11.755 7.714 8.466 1.00 0.00 C ATOM 370 CG LYS A 23 -11.747 9.156 8.948 1.00 0.00 C ATOM 371 CD LYS A 23 -13.085 9.550 9.552 1.00 0.00 C ATOM 372 CE LYS A 23 -13.571 10.884 9.008 1.00 0.00 C ATOM 373 NZ LYS A 23 -13.493 11.962 10.031 1.00 0.00 N ATOM 0 H LYS A 23 -10.280 5.180 7.960 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.174 7.936 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.549 7.590 7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.994 7.061 9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.959 9.288 9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.514 9.818 8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.824 8.778 9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.992 9.610 10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.972 11.162 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.601 10.783 8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.833 12.855 9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.085 11.709 10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.507 12.077 10.340 1.00 0.00 H new ATOM 387 N CYS A 24 -8.597 8.451 8.895 1.00 0.00 N ATOM 388 CA CYS A 24 -7.517 8.653 9.848 1.00 0.00 C ATOM 389 C CYS A 24 -7.998 9.491 11.024 1.00 0.00 C ATOM 390 O CYS A 24 -8.550 10.578 10.843 1.00 0.00 O ATOM 391 CB CYS A 24 -6.326 9.332 9.170 1.00 0.00 C ATOM 392 SG CYS A 24 -4.770 8.426 9.332 1.00 0.00 S ATOM 0 H CYS A 24 -8.739 9.226 8.248 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.198 7.679 10.219 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.550 9.462 8.111 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.200 10.328 9.594 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.216 8.302 8.162 1.00 0.00 H new ATOM 398 N VAL A 25 -7.802 8.970 12.227 1.00 0.00 N ATOM 399 CA VAL A 25 -8.234 9.655 13.439 1.00 0.00 C ATOM 400 C VAL A 25 -7.414 10.917 13.673 1.00 0.00 C ATOM 401 O VAL A 25 -7.819 11.803 14.425 1.00 0.00 O ATOM 402 CB VAL A 25 -8.120 8.736 14.668 1.00 0.00 C ATOM 403 CG1 VAL A 25 -9.072 9.188 15.765 1.00 0.00 C ATOM 404 CG2 VAL A 25 -8.391 7.291 14.274 1.00 0.00 C ATOM 0 H VAL A 25 -7.345 8.073 12.391 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.280 9.929 13.300 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.104 8.800 15.057 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.976 8.526 16.625 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.826 10.207 16.063 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.096 9.155 15.394 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.307 6.652 15.153 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.396 7.209 13.861 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.664 6.976 13.526 1.00 0.00 H new ATOM 414 N CYS A 26 -6.266 10.998 13.009 1.00 0.00 N ATOM 415 CA CYS A 26 -5.395 12.159 13.130 1.00 0.00 C ATOM 416 C CYS A 26 -6.035 13.385 12.486 1.00 0.00 C ATOM 417 O CYS A 26 -5.823 14.514 12.931 1.00 0.00 O ATOM 418 CB CYS A 26 -4.040 11.878 12.479 1.00 0.00 C ATOM 419 SG CYS A 26 -2.678 12.856 13.155 1.00 0.00 S ATOM 0 H CYS A 26 -5.918 10.273 12.382 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.245 12.361 14.191 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.806 10.820 12.595 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.116 12.072 11.409 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.575 12.545 12.542 1.00 0.00 H new ATOM 425 N GLY A 27 -6.821 13.155 11.439 1.00 0.00 N ATOM 426 CA GLY A 27 -7.485 14.247 10.751 1.00 0.00 C ATOM 427 C GLY A 27 -7.375 14.140 9.242 1.00 0.00 C ATOM 428 O GLY A 27 -6.858 15.047 8.587 1.00 0.00 O ATOM 0 H GLY A 27 -7.010 12.230 11.054 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.537 14.263 11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.052 15.193 11.077 1.00 0.00 H new ATOM 432 N ARG A 28 -7.863 13.030 8.689 1.00 0.00 N ATOM 433 CA ARG A 28 -7.818 12.799 7.245 1.00 0.00 C ATOM 434 C ARG A 28 -8.641 11.572 6.863 1.00 0.00 C ATOM 435 O ARG A 28 -9.396 11.041 7.678 1.00 0.00 O ATOM 436 CB ARG A 28 -6.373 12.614 6.756 1.00 0.00 C ATOM 437 CG ARG A 28 -5.367 12.327 7.861 1.00 0.00 C ATOM 438 CD ARG A 28 -3.990 12.025 7.296 1.00 0.00 C ATOM 439 NE ARG A 28 -3.232 11.116 8.151 1.00 0.00 N ATOM 440 CZ ARG A 28 -2.375 11.521 9.083 1.00 0.00 C ATOM 441 NH1 ARG A 28 -2.166 12.816 9.280 1.00 0.00 N ATOM 442 NH2 ARG A 28 -1.725 10.630 9.820 1.00 0.00 N ATOM 0 H ARG A 28 -8.295 12.274 9.221 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.243 13.680 6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.348 11.795 6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.064 13.514 6.225 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.306 13.185 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.711 11.481 8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.094 11.586 6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.436 12.956 7.176 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.368 10.113 8.026 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.664 13.505 8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.508 13.123 9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.883 9.633 9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.068 10.942 10.535 1.00 0.00 H new ATOM 456 N THR A 29 -8.491 11.132 5.617 1.00 0.00 N ATOM 457 CA THR A 29 -9.220 9.969 5.118 1.00 0.00 C ATOM 458 C THR A 29 -8.315 9.095 4.254 1.00 0.00 C ATOM 459 O THR A 29 -7.516 9.600 3.465 1.00 0.00 O ATOM 460 CB THR A 29 -10.442 10.415 4.312 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.334 11.157 5.126 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.219 9.264 3.709 1.00 0.00 C ATOM 0 H THR A 29 -7.870 11.564 4.933 1.00 0.00 H new ATOM 0 HA THR A 29 -9.554 9.382 5.974 1.00 0.00 H new ATOM 0 HB THR A 29 -10.045 11.025 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.108 11.435 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.071 9.653 3.152 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.572 8.701 3.036 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.574 8.608 4.504 1.00 0.00 H new ATOM 470 N VAL A 30 -8.436 7.780 4.420 1.00 0.00 N ATOM 471 CA VAL A 30 -7.616 6.838 3.666 1.00 0.00 C ATOM 472 C VAL A 30 -8.394 6.209 2.516 1.00 0.00 C ATOM 473 O VAL A 30 -9.369 5.491 2.729 1.00 0.00 O ATOM 474 CB VAL A 30 -7.071 5.720 4.571 1.00 0.00 C ATOM 475 CG1 VAL A 30 -6.108 4.831 3.799 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.392 6.314 5.793 1.00 0.00 C ATOM 0 H VAL A 30 -9.092 7.345 5.068 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.783 7.411 3.259 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.907 5.106 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.732 4.046 4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.627 4.380 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.273 5.429 3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.011 5.511 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.565 6.950 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.112 6.908 6.356 1.00 0.00 H new ATOM 486 N ASN A 31 -7.953 6.491 1.295 1.00 0.00 N ATOM 487 CA ASN A 31 -8.585 5.938 0.102 1.00 0.00 C ATOM 488 C ASN A 31 -7.880 4.660 -0.347 1.00 0.00 C ATOM 489 O ASN A 31 -6.702 4.686 -0.706 1.00 0.00 O ATOM 490 CB ASN A 31 -8.568 6.966 -1.032 1.00 0.00 C ATOM 491 CG ASN A 31 -9.329 6.492 -2.255 1.00 0.00 C ATOM 492 OD1 ASN A 31 -10.543 6.292 -2.206 1.00 0.00 O ATOM 493 ND2 ASN A 31 -8.618 6.309 -3.361 1.00 0.00 N ATOM 0 H ASN A 31 -7.158 7.101 1.105 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.618 5.694 0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.002 7.901 -0.677 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.536 7.179 -1.310 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.076 5.991 -4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.614 6.487 -3.357 1.00 0.00 H new ATOM 500 N VAL A 32 -8.593 3.537 -0.307 1.00 0.00 N ATOM 501 CA VAL A 32 -8.017 2.263 -0.729 1.00 0.00 C ATOM 502 C VAL A 32 -7.693 2.277 -2.222 1.00 0.00 C ATOM 503 O VAL A 32 -7.741 3.325 -2.866 1.00 0.00 O ATOM 504 CB VAL A 32 -8.932 1.068 -0.382 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.532 1.249 1.004 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.028 0.872 -1.421 1.00 0.00 C ATOM 0 H VAL A 32 -9.561 3.483 0.010 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.088 2.134 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.317 0.168 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.175 0.400 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.732 1.311 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.120 2.166 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.649 0.022 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.644 1.770 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.576 0.684 -2.395 1.00 0.00 H new ATOM 516 N LYS A 33 -7.347 1.112 -2.765 1.00 0.00 N ATOM 517 CA LYS A 33 -7.000 0.999 -4.179 1.00 0.00 C ATOM 518 C LYS A 33 -8.136 1.492 -5.070 1.00 0.00 C ATOM 519 O LYS A 33 -9.179 1.930 -4.583 1.00 0.00 O ATOM 520 CB LYS A 33 -6.664 -0.454 -4.524 1.00 0.00 C ATOM 521 CG LYS A 33 -5.300 -0.625 -5.170 1.00 0.00 C ATOM 522 CD LYS A 33 -5.418 -1.136 -6.596 1.00 0.00 C ATOM 523 CE LYS A 33 -4.053 -1.289 -7.248 1.00 0.00 C ATOM 524 NZ LYS A 33 -3.779 -0.199 -8.226 1.00 0.00 N ATOM 0 H LYS A 33 -7.300 0.234 -2.248 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.128 1.627 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.704 -1.053 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.427 -0.845 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.773 0.329 -5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.702 -1.321 -4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.933 -2.097 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.027 -0.447 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.281 -1.289 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.998 -2.253 -7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.839 -0.340 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.501 -0.215 -8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.806 0.719 -7.739 1.00 0.00 H new ATOM 538 N ASP A 34 -7.934 1.400 -6.381 1.00 0.00 N ATOM 539 CA ASP A 34 -8.944 1.833 -7.340 1.00 0.00 C ATOM 540 C ASP A 34 -9.874 0.679 -7.685 1.00 0.00 C ATOM 541 O ASP A 34 -11.095 0.840 -7.720 1.00 0.00 O ATOM 542 CB ASP A 34 -8.279 2.368 -8.609 1.00 0.00 C ATOM 543 CG ASP A 34 -7.684 3.748 -8.413 1.00 0.00 C ATOM 544 OD1 ASP A 34 -7.076 3.986 -7.348 1.00 0.00 O ATOM 545 OD2 ASP A 34 -7.827 4.591 -9.323 1.00 0.00 O ATOM 0 H ASP A 34 -7.082 1.030 -6.803 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.530 2.633 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.495 1.679 -8.923 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.014 2.403 -9.413 1.00 0.00 H new ATOM 550 N ARG A 35 -9.290 -0.489 -7.921 1.00 0.00 N ATOM 551 CA ARG A 35 -10.066 -1.683 -8.222 1.00 0.00 C ATOM 552 C ARG A 35 -10.521 -2.351 -6.924 1.00 0.00 C ATOM 553 O ARG A 35 -11.377 -1.820 -6.216 1.00 0.00 O ATOM 554 CB ARG A 35 -9.243 -2.656 -9.072 1.00 0.00 C ATOM 555 CG ARG A 35 -10.081 -3.724 -9.756 1.00 0.00 C ATOM 556 CD ARG A 35 -10.103 -3.533 -11.264 1.00 0.00 C ATOM 557 NE ARG A 35 -11.223 -2.700 -11.694 1.00 0.00 N ATOM 558 CZ ARG A 35 -12.470 -3.148 -11.819 1.00 0.00 C ATOM 559 NH1 ARG A 35 -12.754 -4.414 -11.549 1.00 0.00 N ATOM 560 NH2 ARG A 35 -13.433 -2.327 -12.214 1.00 0.00 N ATOM 0 H ARG A 35 -8.280 -0.634 -7.910 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.948 -1.396 -8.794 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.698 -2.093 -9.830 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.499 -3.140 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.681 -4.710 -9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.100 -3.692 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.167 -3.076 -11.585 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.167 -4.506 -11.752 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.039 -1.720 -11.911 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.016 -5.048 -11.244 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.711 -4.754 -11.646 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.218 -1.352 -12.422 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.389 -2.671 -12.310 1.00 0.00 H new ATOM 574 N ARG A 36 -9.944 -3.507 -6.611 1.00 0.00 N ATOM 575 CA ARG A 36 -10.280 -4.215 -5.382 1.00 0.00 C ATOM 576 C ARG A 36 -9.609 -3.559 -4.176 1.00 0.00 C ATOM 577 O ARG A 36 -10.189 -2.690 -3.527 1.00 0.00 O ATOM 578 CB ARG A 36 -9.864 -5.686 -5.480 1.00 0.00 C ATOM 579 CG ARG A 36 -10.026 -6.279 -6.871 1.00 0.00 C ATOM 580 CD ARG A 36 -8.942 -7.304 -7.166 1.00 0.00 C ATOM 581 NE ARG A 36 -9.403 -8.339 -8.088 1.00 0.00 N ATOM 582 CZ ARG A 36 -8.645 -8.863 -9.047 1.00 0.00 C ATOM 583 NH1 ARG A 36 -7.395 -8.447 -9.211 1.00 0.00 N ATOM 584 NH2 ARG A 36 -9.137 -9.802 -9.845 1.00 0.00 N ATOM 0 H ARG A 36 -9.244 -3.972 -7.190 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.360 -4.163 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.822 -5.780 -5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.457 -6.269 -4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.006 -6.749 -6.956 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.988 -5.483 -7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.073 -6.801 -7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.618 -7.767 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.360 -8.679 -7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.014 -7.724 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.816 -8.850 -9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.098 -10.123 -9.723 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.555 -10.203 -10.580 1.00 0.00 H new ATOM 598 N ILE A 37 -8.387 -3.994 -3.880 1.00 0.00 N ATOM 599 CA ILE A 37 -7.635 -3.473 -2.745 1.00 0.00 C ATOM 600 C ILE A 37 -6.134 -3.661 -2.958 1.00 0.00 C ATOM 601 O ILE A 37 -5.710 -4.534 -3.714 1.00 0.00 O ATOM 602 CB ILE A 37 -8.081 -4.166 -1.433 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.906 -3.195 -0.581 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.892 -4.708 -0.645 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.079 -2.154 0.142 1.00 0.00 C ATOM 0 H ILE A 37 -7.895 -4.710 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.841 -2.406 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.704 -5.020 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.628 -2.689 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.475 -3.765 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.248 -5.186 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.356 -5.438 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.222 -3.888 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.736 -1.506 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.375 -2.649 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.530 -1.556 -0.585 1.00 0.00 H new ATOM 617 N PHE A 38 -5.337 -2.849 -2.271 1.00 0.00 N ATOM 618 CA PHE A 38 -3.888 -2.953 -2.358 1.00 0.00 C ATOM 619 C PHE A 38 -3.367 -3.902 -1.283 1.00 0.00 C ATOM 620 O PHE A 38 -3.916 -3.964 -0.189 1.00 0.00 O ATOM 621 CB PHE A 38 -3.243 -1.574 -2.195 1.00 0.00 C ATOM 622 CG PHE A 38 -2.087 -1.327 -3.125 1.00 0.00 C ATOM 623 CD1 PHE A 38 -1.080 -2.270 -3.273 1.00 0.00 C ATOM 624 CD2 PHE A 38 -1.999 -0.143 -3.840 1.00 0.00 C ATOM 625 CE1 PHE A 38 -0.017 -2.041 -4.125 1.00 0.00 C ATOM 626 CE2 PHE A 38 -0.937 0.092 -4.692 1.00 0.00 C ATOM 627 CZ PHE A 38 0.056 -0.858 -4.834 1.00 0.00 C ATOM 0 H PHE A 38 -5.671 -2.113 -1.649 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.625 -3.348 -3.340 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.000 -0.808 -2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.899 -1.464 -1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.128 -3.194 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.770 0.605 -3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.756 -2.787 -4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.883 1.017 -5.246 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.888 -0.676 -5.498 1.00 0.00 H new ATOM 637 N GLY A 39 -2.330 -4.660 -1.617 1.00 0.00 N ATOM 638 CA GLY A 39 -1.751 -5.599 -0.672 1.00 0.00 C ATOM 639 C GLY A 39 -2.790 -6.459 0.024 1.00 0.00 C ATOM 640 O GLY A 39 -3.355 -6.060 1.042 1.00 0.00 O ATOM 0 H GLY A 39 -1.877 -4.642 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.046 -6.244 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.183 -5.048 0.077 1.00 0.00 H new ATOM 644 N ARG A 40 -3.042 -7.643 -0.520 1.00 0.00 N ATOM 645 CA ARG A 40 -3.999 -8.563 0.078 1.00 0.00 C ATOM 646 C ARG A 40 -3.289 -9.505 1.039 1.00 0.00 C ATOM 647 O ARG A 40 -2.773 -10.549 0.638 1.00 0.00 O ATOM 648 CB ARG A 40 -4.728 -9.363 -1.001 1.00 0.00 C ATOM 649 CG ARG A 40 -6.199 -9.588 -0.694 1.00 0.00 C ATOM 650 CD ARG A 40 -6.390 -10.717 0.305 1.00 0.00 C ATOM 651 NE ARG A 40 -7.470 -11.619 -0.087 1.00 0.00 N ATOM 652 CZ ARG A 40 -7.305 -12.924 -0.288 1.00 0.00 C ATOM 653 NH1 ARG A 40 -6.108 -13.476 -0.130 1.00 0.00 N ATOM 654 NH2 ARG A 40 -8.335 -13.678 -0.645 1.00 0.00 N ATOM 0 H ARG A 40 -2.598 -7.987 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.736 -7.981 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.639 -8.840 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.237 -10.329 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.634 -8.671 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.733 -9.821 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.462 -11.281 0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.606 -10.298 1.288 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.403 -11.227 -0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.313 -12.900 0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.983 -14.477 -0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.257 -13.258 -0.766 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.206 -14.678 -0.799 1.00 0.00 H new ATOM 668 N ALA A 41 -3.236 -9.108 2.302 1.00 0.00 N ATOM 669 CA ALA A 41 -2.552 -9.890 3.322 1.00 0.00 C ATOM 670 C ALA A 41 -3.512 -10.806 4.067 1.00 0.00 C ATOM 671 O ALA A 41 -4.492 -10.351 4.654 1.00 0.00 O ATOM 672 CB ALA A 41 -1.842 -8.967 4.296 1.00 0.00 C ATOM 0 H ALA A 41 -3.660 -8.246 2.646 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.817 -10.521 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.333 -9.561 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.111 -8.363 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.571 -8.313 4.775 1.00 0.00 H new ATOM 678 N ASP A 42 -3.216 -12.100 4.050 1.00 0.00 N ATOM 679 CA ASP A 42 -4.032 -13.080 4.753 1.00 0.00 C ATOM 680 C ASP A 42 -3.622 -13.158 6.219 1.00 0.00 C ATOM 681 O ASP A 42 -4.466 -13.286 7.107 1.00 0.00 O ATOM 682 CB ASP A 42 -3.892 -14.455 4.097 1.00 0.00 C ATOM 683 CG ASP A 42 -5.106 -15.332 4.328 1.00 0.00 C ATOM 684 OD1 ASP A 42 -5.348 -15.720 5.491 1.00 0.00 O ATOM 685 OD2 ASP A 42 -5.817 -15.633 3.346 1.00 0.00 O ATOM 0 H ASP A 42 -2.416 -12.495 3.556 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.074 -12.767 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.737 -14.329 3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.007 -14.954 4.491 1.00 0.00 H new ATOM 690 N ASP A 43 -2.314 -13.116 6.459 1.00 0.00 N ATOM 691 CA ASP A 43 -1.778 -13.171 7.814 1.00 0.00 C ATOM 692 C ASP A 43 -1.662 -11.774 8.413 1.00 0.00 C ATOM 693 O ASP A 43 -1.207 -10.843 7.750 1.00 0.00 O ATOM 694 CB ASP A 43 -0.407 -13.851 7.813 1.00 0.00 C ATOM 695 CG ASP A 43 -0.476 -15.300 7.369 1.00 0.00 C ATOM 696 OD1 ASP A 43 -1.553 -15.915 7.513 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.548 -15.819 6.877 1.00 0.00 O ATOM 0 H ASP A 43 -1.605 -13.044 5.730 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.467 -13.752 8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.266 -13.304 7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.020 -13.801 8.815 1.00 0.00 H new ATOM 702 N PHE A 44 -2.070 -11.635 9.671 1.00 0.00 N ATOM 703 CA PHE A 44 -1.983 -10.354 10.362 1.00 0.00 C ATOM 704 C PHE A 44 -0.545 -9.845 10.372 1.00 0.00 C ATOM 705 O PHE A 44 -0.297 -8.647 10.244 1.00 0.00 O ATOM 706 CB PHE A 44 -2.504 -10.485 11.796 1.00 0.00 C ATOM 707 CG PHE A 44 -2.314 -9.245 12.625 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.056 -8.103 12.369 1.00 0.00 C ATOM 709 CD2 PHE A 44 -1.392 -9.224 13.660 1.00 0.00 C ATOM 710 CE1 PHE A 44 -2.881 -6.962 13.130 1.00 0.00 C ATOM 711 CE2 PHE A 44 -1.214 -8.086 14.424 1.00 0.00 C ATOM 712 CZ PHE A 44 -1.960 -6.954 14.158 1.00 0.00 C ATOM 0 H PHE A 44 -2.463 -12.392 10.231 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.602 -9.634 9.827 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.565 -10.732 11.766 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.996 -11.318 12.283 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.779 -8.104 11.566 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.806 -10.106 13.872 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.464 -6.078 12.920 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.493 -8.082 15.228 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.823 -6.064 14.754 1.00 0.00 H new ATOM 722 N GLU A 45 0.400 -10.770 10.521 1.00 0.00 N ATOM 723 CA GLU A 45 1.817 -10.422 10.536 1.00 0.00 C ATOM 724 C GLU A 45 2.256 -9.900 9.174 1.00 0.00 C ATOM 725 O GLU A 45 3.000 -8.923 9.082 1.00 0.00 O ATOM 726 CB GLU A 45 2.659 -11.640 10.926 1.00 0.00 C ATOM 727 CG GLU A 45 3.423 -11.458 12.228 1.00 0.00 C ATOM 728 CD GLU A 45 2.755 -12.153 13.399 1.00 0.00 C ATOM 729 OE1 GLU A 45 2.386 -13.337 13.254 1.00 0.00 O ATOM 730 OE2 GLU A 45 2.603 -11.513 14.460 1.00 0.00 O ATOM 0 H GLU A 45 0.209 -11.766 10.633 1.00 0.00 H new ATOM 0 HA GLU A 45 1.968 -9.635 11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.007 -12.509 11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.367 -11.854 10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.434 -11.847 12.109 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.514 -10.394 12.446 1.00 0.00 H new ATOM 737 N GLU A 46 1.783 -10.554 8.116 1.00 0.00 N ATOM 738 CA GLU A 46 2.113 -10.147 6.756 1.00 0.00 C ATOM 739 C GLU A 46 1.465 -8.806 6.427 1.00 0.00 C ATOM 740 O GLU A 46 1.957 -8.057 5.585 1.00 0.00 O ATOM 741 CB GLU A 46 1.651 -11.209 5.756 1.00 0.00 C ATOM 742 CG GLU A 46 2.663 -12.321 5.539 1.00 0.00 C ATOM 743 CD GLU A 46 2.299 -13.223 4.376 1.00 0.00 C ATOM 744 OE1 GLU A 46 2.401 -12.768 3.217 1.00 0.00 O ATOM 745 OE2 GLU A 46 1.911 -14.384 4.624 1.00 0.00 O ATOM 0 H GLU A 46 1.170 -11.367 8.176 1.00 0.00 H new ATOM 0 HA GLU A 46 3.195 -10.040 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.715 -11.644 6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.441 -10.729 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.645 -11.883 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.740 -12.919 6.447 1.00 0.00 H new ATOM 752 N ALA A 47 0.353 -8.518 7.098 1.00 0.00 N ATOM 753 CA ALA A 47 -0.365 -7.265 6.893 1.00 0.00 C ATOM 754 C ALA A 47 0.526 -6.067 7.200 1.00 0.00 C ATOM 755 O ALA A 47 0.709 -5.186 6.361 1.00 0.00 O ATOM 756 CB ALA A 47 -1.619 -7.230 7.754 1.00 0.00 C ATOM 0 H ALA A 47 -0.070 -9.137 7.789 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.657 -7.207 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.146 -6.290 7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.270 -8.062 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.341 -7.314 8.805 1.00 0.00 H new ATOM 762 N SER A 48 1.073 -6.040 8.411 1.00 0.00 N ATOM 763 CA SER A 48 1.943 -4.949 8.837 1.00 0.00 C ATOM 764 C SER A 48 3.163 -4.830 7.928 1.00 0.00 C ATOM 765 O SER A 48 3.663 -3.731 7.688 1.00 0.00 O ATOM 766 CB SER A 48 2.391 -5.166 10.284 1.00 0.00 C ATOM 767 OG SER A 48 2.227 -3.985 11.051 1.00 0.00 O ATOM 0 H SER A 48 0.929 -6.763 9.116 1.00 0.00 H new ATOM 0 HA SER A 48 1.376 -4.021 8.771 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.813 -5.976 10.729 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.437 -5.473 10.302 1.00 0.00 H new ATOM 0 HG SER A 48 2.519 -4.150 11.972 1.00 0.00 H new ATOM 773 N GLU A 49 3.641 -5.967 7.432 1.00 0.00 N ATOM 774 CA GLU A 49 4.805 -5.989 6.554 1.00 0.00 C ATOM 775 C GLU A 49 4.472 -5.387 5.192 1.00 0.00 C ATOM 776 O GLU A 49 5.285 -4.678 4.598 1.00 0.00 O ATOM 777 CB GLU A 49 5.305 -7.424 6.381 1.00 0.00 C ATOM 778 CG GLU A 49 6.449 -7.787 7.314 1.00 0.00 C ATOM 779 CD GLU A 49 7.598 -8.464 6.594 1.00 0.00 C ATOM 780 OE1 GLU A 49 7.456 -9.652 6.235 1.00 0.00 O ATOM 781 OE2 GLU A 49 8.640 -7.807 6.388 1.00 0.00 O ATOM 0 H GLU A 49 3.240 -6.885 7.623 1.00 0.00 H new ATOM 0 HA GLU A 49 5.590 -5.388 7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.476 -8.111 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.629 -7.565 5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.814 -6.884 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.078 -8.447 8.098 1.00 0.00 H new ATOM 788 N LEU A 50 3.272 -5.681 4.700 1.00 0.00 N ATOM 789 CA LEU A 50 2.824 -5.171 3.410 1.00 0.00 C ATOM 790 C LEU A 50 2.610 -3.663 3.467 1.00 0.00 C ATOM 791 O LEU A 50 2.940 -2.941 2.526 1.00 0.00 O ATOM 792 CB LEU A 50 1.527 -5.869 2.993 1.00 0.00 C ATOM 793 CG LEU A 50 1.652 -6.799 1.783 1.00 0.00 C ATOM 794 CD1 LEU A 50 2.715 -7.859 2.030 1.00 0.00 C ATOM 795 CD2 LEU A 50 0.311 -7.446 1.474 1.00 0.00 C ATOM 0 H LEU A 50 2.591 -6.272 5.178 1.00 0.00 H new ATOM 0 HA LEU A 50 3.598 -5.380 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.155 -6.447 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.778 -5.109 2.772 1.00 0.00 H new ATOM 0 HG LEU A 50 1.957 -6.206 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.789 -8.510 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.677 -7.376 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.442 -8.451 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.415 -8.104 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.020 -8.026 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.424 -6.672 1.253 1.00 0.00 H new ATOM 807 N VAL A 51 2.076 -3.195 4.589 1.00 0.00 N ATOM 808 CA VAL A 51 1.824 -1.773 4.786 1.00 0.00 C ATOM 809 C VAL A 51 3.127 -0.983 4.809 1.00 0.00 C ATOM 810 O VAL A 51 3.200 0.125 4.277 1.00 0.00 O ATOM 811 CB VAL A 51 1.071 -1.522 6.104 1.00 0.00 C ATOM 812 CG1 VAL A 51 0.898 -0.032 6.351 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.275 -2.228 6.095 1.00 0.00 C ATOM 0 H VAL A 51 1.808 -3.782 5.379 1.00 0.00 H new ATOM 0 HA VAL A 51 1.212 -1.439 3.948 1.00 0.00 H new ATOM 0 HB VAL A 51 1.665 -1.933 6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.363 0.122 7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.877 0.443 6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.329 0.409 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.792 -2.038 7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.877 -1.852 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.122 -3.301 5.975 1.00 0.00 H new ATOM 823 N ARG A 52 4.154 -1.558 5.427 1.00 0.00 N ATOM 824 CA ARG A 52 5.452 -0.901 5.514 1.00 0.00 C ATOM 825 C ARG A 52 6.015 -0.666 4.121 1.00 0.00 C ATOM 826 O ARG A 52 6.534 0.410 3.823 1.00 0.00 O ATOM 827 CB ARG A 52 6.424 -1.746 6.340 1.00 0.00 C ATOM 828 CG ARG A 52 7.761 -1.066 6.589 1.00 0.00 C ATOM 829 CD ARG A 52 7.735 -0.233 7.859 1.00 0.00 C ATOM 830 NE ARG A 52 7.930 -1.051 9.054 1.00 0.00 N ATOM 831 CZ ARG A 52 7.033 -1.160 10.029 1.00 0.00 C ATOM 832 NH1 ARG A 52 5.882 -0.504 9.955 1.00 0.00 N ATOM 833 NH2 ARG A 52 7.287 -1.925 11.082 1.00 0.00 N ATOM 0 H ARG A 52 4.112 -2.474 5.873 1.00 0.00 H new ATOM 0 HA ARG A 52 5.322 0.062 6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.962 -1.983 7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.597 -2.692 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.545 -1.819 6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.010 -0.429 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.514 0.528 7.809 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.782 0.291 7.930 1.00 0.00 H new ATOM 0 HE ARG A 52 8.805 -1.568 9.145 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.683 0.087 9.148 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.197 -0.591 10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.171 -2.430 11.144 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.598 -2.008 11.830 1.00 0.00 H new ATOM 847 N LYS A 53 5.888 -1.670 3.264 1.00 0.00 N ATOM 848 CA LYS A 53 6.332 -1.548 1.884 1.00 0.00 C ATOM 849 C LYS A 53 5.445 -0.554 1.146 1.00 0.00 C ATOM 850 O LYS A 53 5.913 0.210 0.302 1.00 0.00 O ATOM 851 CB LYS A 53 6.291 -2.908 1.185 1.00 0.00 C ATOM 852 CG LYS A 53 7.666 -3.466 0.858 1.00 0.00 C ATOM 853 CD LYS A 53 7.575 -4.874 0.291 1.00 0.00 C ATOM 854 CE LYS A 53 7.686 -5.924 1.385 1.00 0.00 C ATOM 855 NZ LYS A 53 6.887 -7.140 1.069 1.00 0.00 N ATOM 0 H LYS A 53 5.482 -2.575 3.500 1.00 0.00 H new ATOM 0 HA LYS A 53 7.361 -1.188 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.762 -3.618 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.717 -2.816 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.163 -2.814 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.280 -3.474 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.628 -4.995 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.369 -5.025 -0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.732 -6.201 1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.346 -5.501 2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.989 -7.832 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.885 -6.880 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.228 -7.558 0.180 1.00 0.00 H new ATOM 869 N LEU A 54 4.154 -0.582 1.471 1.00 0.00 N ATOM 870 CA LEU A 54 3.189 0.326 0.866 1.00 0.00 C ATOM 871 C LEU A 54 3.430 1.762 1.319 1.00 0.00 C ATOM 872 O LEU A 54 2.952 2.709 0.696 1.00 0.00 O ATOM 873 CB LEU A 54 1.765 -0.102 1.230 1.00 0.00 C ATOM 874 CG LEU A 54 0.907 -0.588 0.059 1.00 0.00 C ATOM 875 CD1 LEU A 54 0.741 0.514 -0.977 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.513 -1.832 -0.572 1.00 0.00 C ATOM 0 H LEU A 54 3.754 -1.227 2.152 1.00 0.00 H new ATOM 0 HA LEU A 54 3.314 0.282 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.821 -0.898 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.260 0.740 1.704 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.079 -0.848 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.128 0.149 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.256 1.375 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.720 0.808 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.887 -2.161 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.513 -1.603 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.573 -2.625 0.173 1.00 0.00 H new ATOM 888 N GLN A 55 4.167 1.914 2.417 1.00 0.00 N ATOM 889 CA GLN A 55 4.454 3.232 2.972 1.00 0.00 C ATOM 890 C GLN A 55 5.354 4.039 2.041 1.00 0.00 C ATOM 891 O GLN A 55 5.610 3.640 0.905 1.00 0.00 O ATOM 892 CB GLN A 55 5.116 3.100 4.345 1.00 0.00 C ATOM 893 CG GLN A 55 4.130 3.133 5.502 1.00 0.00 C ATOM 894 CD GLN A 55 4.810 2.998 6.851 1.00 0.00 C ATOM 895 OE1 GLN A 55 5.752 2.067 6.949 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 4.493 3.723 7.793 1.00 0.00 N flip ATOM 0 H GLN A 55 4.576 1.139 2.939 1.00 0.00 H new ATOM 0 HA GLN A 55 3.507 3.761 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.675 2.165 4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.838 3.907 4.470 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.572 4.069 5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.407 2.327 5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.763 4.426 7.673 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.960 3.622 8.694 1.00 0.00 H new