USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -124:sc= 0.104 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0467 USER MOD Single : A 32 SER OG : rot -49:sc= 0.021 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0604 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0789 X(o=-0.079,f=-0.2) USER MOD Single : A 59 SER OG : rot -75:sc= 0.491 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.690 -12.687 -3.502 1.00 0.00 N ATOM 2 CA ALA A 1 -14.050 -14.021 -3.617 1.00 0.00 C ATOM 3 C ALA A 1 -12.600 -13.884 -4.114 1.00 0.00 C ATOM 4 O ALA A 1 -12.054 -12.776 -4.136 1.00 0.00 O ATOM 5 CB ALA A 1 -14.897 -14.964 -4.498 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.045 -12.554 -2.533 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.992 -11.947 -3.719 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.482 -12.623 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.004 -14.478 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.407 -15.935 -4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.885 -15.087 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.998 -14.537 -5.496 1.00 0.00 H new ATOM 13 N GLY A 2 -11.949 -14.986 -4.508 1.00 0.00 N ATOM 14 CA GLY A 2 -10.541 -14.994 -4.934 1.00 0.00 C ATOM 15 C GLY A 2 -9.550 -14.907 -3.764 1.00 0.00 C ATOM 16 O GLY A 2 -9.922 -15.047 -2.596 1.00 0.00 O ATOM 0 H GLY A 2 -12.388 -15.906 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.345 -15.905 -5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.369 -14.156 -5.610 1.00 0.00 H new ATOM 20 N HIS A 3 -8.264 -14.722 -4.090 1.00 0.00 N ATOM 21 CA HIS A 3 -7.135 -14.712 -3.137 1.00 0.00 C ATOM 22 C HIS A 3 -5.992 -13.748 -3.524 1.00 0.00 C ATOM 23 O HIS A 3 -4.864 -13.898 -3.053 1.00 0.00 O ATOM 24 CB HIS A 3 -6.653 -16.164 -2.928 1.00 0.00 C ATOM 25 CG HIS A 3 -6.252 -16.875 -4.199 1.00 0.00 C ATOM 26 ND1 HIS A 3 -7.095 -17.604 -5.018 1.00 0.00 N ATOM 27 CD2 HIS A 3 -4.997 -16.904 -4.740 1.00 0.00 C ATOM 28 CE1 HIS A 3 -6.362 -18.062 -6.054 1.00 0.00 C ATOM 29 NE2 HIS A 3 -5.083 -17.652 -5.903 1.00 0.00 N ATOM 0 H HIS A 3 -7.966 -14.570 -5.054 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.494 -14.310 -2.190 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.803 -16.158 -2.246 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.447 -16.732 -2.443 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.111 -16.435 -4.339 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.737 -18.660 -6.872 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.312 -17.858 -6.538 1.00 0.00 H new ATOM 38 N MET A 4 -6.271 -12.757 -4.383 1.00 0.00 N ATOM 39 CA MET A 4 -5.282 -11.819 -4.948 1.00 0.00 C ATOM 40 C MET A 4 -5.274 -10.425 -4.283 1.00 0.00 C ATOM 41 O MET A 4 -4.635 -9.500 -4.793 1.00 0.00 O ATOM 42 CB MET A 4 -5.478 -11.717 -6.477 1.00 0.00 C ATOM 43 CG MET A 4 -4.143 -11.851 -7.222 1.00 0.00 C ATOM 44 SD MET A 4 -3.787 -13.547 -7.771 1.00 0.00 S ATOM 45 CE MET A 4 -1.990 -13.459 -7.996 1.00 0.00 C ATOM 0 H MET A 4 -7.219 -12.578 -4.716 1.00 0.00 H new ATOM 0 HA MET A 4 -4.298 -12.233 -4.729 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.163 -12.497 -6.811 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.940 -10.761 -6.723 1.00 0.00 H new ATOM 0 HG2 MET A 4 -4.152 -11.191 -8.089 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.337 -11.511 -6.571 1.00 0.00 H new ATOM 0 HE1 MET A 4 -1.618 -14.426 -8.333 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.753 -12.700 -8.741 1.00 0.00 H new ATOM 0 HE3 MET A 4 -1.517 -13.198 -7.049 1.00 0.00 H new ATOM 55 N LYS A 5 -5.983 -10.256 -3.157 1.00 0.00 N ATOM 56 CA LYS A 5 -6.151 -8.987 -2.421 1.00 0.00 C ATOM 57 C LYS A 5 -5.783 -9.153 -0.942 1.00 0.00 C ATOM 58 O LYS A 5 -6.016 -10.213 -0.358 1.00 0.00 O ATOM 59 CB LYS A 5 -7.602 -8.497 -2.620 1.00 0.00 C ATOM 60 CG LYS A 5 -7.763 -6.964 -2.529 1.00 0.00 C ATOM 61 CD LYS A 5 -8.711 -6.422 -3.616 1.00 0.00 C ATOM 62 CE LYS A 5 -10.166 -6.861 -3.378 1.00 0.00 C ATOM 63 NZ LYS A 5 -10.830 -7.338 -4.625 1.00 0.00 N ATOM 0 H LYS A 5 -6.477 -11.030 -2.713 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.470 -8.231 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.958 -8.833 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.239 -8.965 -1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.148 -6.697 -1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.787 -6.490 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.658 -5.333 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.381 -6.773 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.185 -7.657 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.731 -6.025 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.807 -7.622 -4.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.838 -6.572 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.308 -8.153 -5.006 1.00 0.00 H new ATOM 77 N GLU A 6 -5.223 -8.107 -0.338 1.00 0.00 N ATOM 78 CA GLU A 6 -4.812 -8.086 1.076 1.00 0.00 C ATOM 79 C GLU A 6 -5.098 -6.716 1.713 1.00 0.00 C ATOM 80 O GLU A 6 -5.935 -6.609 2.612 1.00 0.00 O ATOM 81 CB GLU A 6 -3.323 -8.487 1.216 1.00 0.00 C ATOM 82 CG GLU A 6 -3.129 -9.567 2.289 1.00 0.00 C ATOM 83 CD GLU A 6 -1.651 -9.739 2.704 1.00 0.00 C ATOM 84 OE1 GLU A 6 -0.754 -9.752 1.827 1.00 0.00 O ATOM 85 OE2 GLU A 6 -1.380 -9.888 3.921 1.00 0.00 O ATOM 0 H GLU A 6 -5.036 -7.229 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.404 -8.823 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.952 -8.853 0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.731 -7.608 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.721 -9.310 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.510 -10.517 1.915 1.00 0.00 H new ATOM 92 N PHE A 7 -4.430 -5.662 1.230 1.00 0.00 N ATOM 93 CA PHE A 7 -4.640 -4.282 1.669 1.00 0.00 C ATOM 94 C PHE A 7 -5.840 -3.628 0.964 1.00 0.00 C ATOM 95 O PHE A 7 -5.895 -3.544 -0.266 1.00 0.00 O ATOM 96 CB PHE A 7 -3.347 -3.471 1.478 1.00 0.00 C ATOM 97 CG PHE A 7 -2.361 -3.641 2.621 1.00 0.00 C ATOM 98 CD1 PHE A 7 -2.759 -3.301 3.929 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.056 -4.129 2.403 1.00 0.00 C ATOM 100 CE1 PHE A 7 -1.876 -3.470 5.006 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.178 -4.301 3.492 1.00 0.00 C ATOM 102 CZ PHE A 7 -0.586 -3.968 4.791 1.00 0.00 C ATOM 0 H PHE A 7 -3.714 -5.749 0.508 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.885 -4.293 2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.869 -3.774 0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.599 -2.415 1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.750 -2.908 4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.730 -4.371 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.193 -3.214 6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.815 -4.692 3.325 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.092 -4.095 5.622 1.00 0.00 H new ATOM 112 N ARG A 8 -6.814 -3.171 1.763 1.00 0.00 N ATOM 113 CA ARG A 8 -8.031 -2.462 1.327 1.00 0.00 C ATOM 114 C ARG A 8 -7.835 -0.943 1.224 1.00 0.00 C ATOM 115 O ARG A 8 -6.945 -0.399 1.881 1.00 0.00 O ATOM 116 CB ARG A 8 -9.169 -2.802 2.309 1.00 0.00 C ATOM 117 CG ARG A 8 -9.879 -4.072 1.831 1.00 0.00 C ATOM 118 CD ARG A 8 -10.904 -4.563 2.859 1.00 0.00 C ATOM 119 NE ARG A 8 -11.405 -5.903 2.500 1.00 0.00 N ATOM 120 CZ ARG A 8 -12.304 -6.622 3.150 1.00 0.00 C ATOM 121 NH1 ARG A 8 -12.937 -6.162 4.192 1.00 0.00 N ATOM 122 NH2 ARG A 8 -12.583 -7.832 2.760 1.00 0.00 N ATOM 0 H ARG A 8 -6.776 -3.289 2.775 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.281 -2.797 0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.769 -2.950 3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.876 -1.975 2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.379 -3.876 0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.143 -4.855 1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.448 -4.593 3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.736 -3.861 2.913 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.014 -6.322 1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.745 -5.219 4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.625 -6.745 4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.107 -8.229 1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.277 -8.383 3.265 1.00 0.00 H new ATOM 136 N PRO A 9 -8.680 -0.233 0.453 1.00 0.00 N ATOM 137 CA PRO A 9 -8.615 1.221 0.337 1.00 0.00 C ATOM 138 C PRO A 9 -9.073 1.894 1.643 1.00 0.00 C ATOM 139 O PRO A 9 -10.089 1.508 2.227 1.00 0.00 O ATOM 140 CB PRO A 9 -9.514 1.569 -0.851 1.00 0.00 C ATOM 141 CG PRO A 9 -10.561 0.455 -0.849 1.00 0.00 C ATOM 142 CD PRO A 9 -9.792 -0.761 -0.332 1.00 0.00 C ATOM 0 HA PRO A 9 -7.600 1.582 0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.973 2.551 -0.732 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.953 1.590 -1.785 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.405 0.699 -0.204 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.963 0.281 -1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.433 -1.397 0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.430 -1.373 -1.158 1.00 0.00 H new ATOM 150 N GLY A 10 -8.311 2.875 2.133 1.00 0.00 N ATOM 151 CA GLY A 10 -8.615 3.598 3.376 1.00 0.00 C ATOM 152 C GLY A 10 -8.116 2.912 4.655 1.00 0.00 C ATOM 153 O GLY A 10 -8.224 3.494 5.736 1.00 0.00 O ATOM 0 H GLY A 10 -7.457 3.195 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.175 4.593 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.694 3.731 3.449 1.00 0.00 H new ATOM 157 N ASP A 11 -7.586 1.687 4.565 1.00 0.00 N ATOM 158 CA ASP A 11 -7.069 0.927 5.709 1.00 0.00 C ATOM 159 C ASP A 11 -5.898 1.673 6.378 1.00 0.00 C ATOM 160 O ASP A 11 -4.970 2.120 5.694 1.00 0.00 O ATOM 161 CB ASP A 11 -6.639 -0.481 5.256 1.00 0.00 C ATOM 162 CG ASP A 11 -6.892 -1.526 6.354 1.00 0.00 C ATOM 163 OD1 ASP A 11 -6.003 -1.731 7.210 1.00 0.00 O ATOM 164 OD2 ASP A 11 -7.988 -2.135 6.362 1.00 0.00 O ATOM 0 H ASP A 11 -7.503 1.187 3.680 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.863 0.825 6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.187 -0.758 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.581 -0.474 4.996 1.00 0.00 H new ATOM 169 N LYS A 12 -5.942 1.832 7.706 1.00 0.00 N ATOM 170 CA LYS A 12 -4.852 2.427 8.497 1.00 0.00 C ATOM 171 C LYS A 12 -3.606 1.537 8.433 1.00 0.00 C ATOM 172 O LYS A 12 -3.552 0.484 9.071 1.00 0.00 O ATOM 173 CB LYS A 12 -5.290 2.665 9.960 1.00 0.00 C ATOM 174 CG LYS A 12 -5.830 4.086 10.237 1.00 0.00 C ATOM 175 CD LYS A 12 -5.168 4.705 11.483 1.00 0.00 C ATOM 176 CE LYS A 12 -3.734 5.154 11.150 1.00 0.00 C ATOM 177 NZ LYS A 12 -2.799 4.983 12.297 1.00 0.00 N ATOM 0 H LYS A 12 -6.743 1.549 8.270 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.606 3.398 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.060 1.939 10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.441 2.477 10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.646 4.722 9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.910 4.045 10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.753 5.557 11.830 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.151 3.978 12.295 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.367 4.582 10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.746 6.202 10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.848 5.300 12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.131 5.549 13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.764 3.980 12.570 1.00 0.00 H new ATOM 191 N VAL A 13 -2.586 1.970 7.693 1.00 0.00 N ATOM 192 CA VAL A 13 -1.295 1.274 7.564 1.00 0.00 C ATOM 193 C VAL A 13 -0.133 2.170 7.996 1.00 0.00 C ATOM 194 O VAL A 13 -0.232 3.396 7.949 1.00 0.00 O ATOM 195 CB VAL A 13 -1.096 0.701 6.144 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.206 -0.296 5.804 1.00 0.00 C ATOM 197 CG2 VAL A 13 -1.061 1.744 5.022 1.00 0.00 C ATOM 0 H VAL A 13 -2.630 2.834 7.152 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.309 0.423 8.245 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.115 0.229 6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.048 -0.688 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.190 -1.117 6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.172 0.206 5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.917 1.244 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.002 2.294 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.238 2.438 5.196 1.00 0.00 H new ATOM 207 N VAL A 14 0.975 1.571 8.428 1.00 0.00 N ATOM 208 CA VAL A 14 2.222 2.272 8.782 1.00 0.00 C ATOM 209 C VAL A 14 3.219 2.176 7.630 1.00 0.00 C ATOM 210 O VAL A 14 3.485 1.091 7.109 1.00 0.00 O ATOM 211 CB VAL A 14 2.830 1.761 10.107 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.866 0.233 10.209 1.00 0.00 C ATOM 213 CG2 VAL A 14 4.245 2.302 10.361 1.00 0.00 C ATOM 0 H VAL A 14 1.039 0.560 8.547 1.00 0.00 H new ATOM 0 HA VAL A 14 1.980 3.322 8.948 1.00 0.00 H new ATOM 0 HB VAL A 14 2.156 2.146 10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.305 -0.058 11.164 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.852 -0.160 10.141 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.467 -0.172 9.395 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.621 1.909 11.306 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.904 1.991 9.551 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.216 3.391 10.407 1.00 0.00 H new ATOM 223 N LEU A 15 3.771 3.325 7.233 1.00 0.00 N ATOM 224 CA LEU A 15 4.818 3.420 6.222 1.00 0.00 C ATOM 225 C LEU A 15 5.804 4.555 6.566 1.00 0.00 C ATOM 226 O LEU A 15 5.472 5.725 6.361 1.00 0.00 O ATOM 227 CB LEU A 15 4.155 3.602 4.850 1.00 0.00 C ATOM 228 CG LEU A 15 5.118 3.536 3.649 1.00 0.00 C ATOM 229 CD1 LEU A 15 6.163 2.420 3.736 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.318 3.271 2.377 1.00 0.00 C ATOM 0 H LEU A 15 3.495 4.230 7.614 1.00 0.00 H new ATOM 0 HA LEU A 15 5.410 2.505 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.391 2.834 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.644 4.565 4.835 1.00 0.00 H new ATOM 0 HG LEU A 15 5.638 4.494 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.798 2.446 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.775 2.563 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.660 1.455 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.995 3.224 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.787 2.324 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.599 4.076 2.225 1.00 0.00 H new ATOM 242 N PRO A 16 6.981 4.265 7.145 1.00 0.00 N ATOM 243 CA PRO A 16 7.988 5.289 7.435 1.00 0.00 C ATOM 244 C PRO A 16 8.632 5.863 6.149 1.00 0.00 C ATOM 245 O PRO A 16 8.582 5.219 5.094 1.00 0.00 O ATOM 246 CB PRO A 16 9.003 4.599 8.352 1.00 0.00 C ATOM 247 CG PRO A 16 8.900 3.124 7.972 1.00 0.00 C ATOM 248 CD PRO A 16 7.430 2.954 7.597 1.00 0.00 C ATOM 0 HA PRO A 16 7.549 6.163 7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.011 4.983 8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.764 4.758 9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.558 2.877 7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.180 2.475 8.802 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.311 2.208 6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.845 2.614 8.452 1.00 0.00 H new ATOM 256 N PRO A 17 9.255 7.061 6.212 1.00 0.00 N ATOM 257 CA PRO A 17 9.402 7.918 7.397 1.00 0.00 C ATOM 258 C PRO A 17 8.123 8.686 7.790 1.00 0.00 C ATOM 259 O PRO A 17 8.073 9.270 8.874 1.00 0.00 O ATOM 260 CB PRO A 17 10.536 8.883 7.037 1.00 0.00 C ATOM 261 CG PRO A 17 10.374 9.060 5.528 1.00 0.00 C ATOM 262 CD PRO A 17 9.935 7.668 5.073 1.00 0.00 C ATOM 0 HA PRO A 17 9.613 7.309 8.276 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.442 9.831 7.567 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.512 8.471 7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.629 9.819 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.306 9.366 5.054 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.270 7.732 4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.794 7.070 4.769 1.00 0.00 H new ATOM 270 N TYR A 18 7.074 8.658 6.957 1.00 0.00 N ATOM 271 CA TYR A 18 5.771 9.291 7.215 1.00 0.00 C ATOM 272 C TYR A 18 5.103 8.763 8.501 1.00 0.00 C ATOM 273 O TYR A 18 4.510 9.524 9.267 1.00 0.00 O ATOM 274 CB TYR A 18 4.842 9.073 6.005 1.00 0.00 C ATOM 275 CG TYR A 18 5.502 9.241 4.645 1.00 0.00 C ATOM 276 CD1 TYR A 18 5.873 10.523 4.198 1.00 0.00 C ATOM 277 CD2 TYR A 18 5.755 8.115 3.834 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.487 10.682 2.939 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.353 8.270 2.566 1.00 0.00 C ATOM 280 CZ TYR A 18 6.723 9.555 2.119 1.00 0.00 C ATOM 281 OH TYR A 18 7.310 9.702 0.900 1.00 0.00 O ATOM 0 H TYR A 18 7.109 8.180 6.057 1.00 0.00 H new ATOM 0 HA TYR A 18 5.946 10.357 7.363 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.422 8.069 6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.009 9.772 6.076 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.687 11.386 4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.489 7.129 4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.777 11.666 2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.527 7.407 1.940 1.00 0.00 H new ATOM 0 HH TYR A 18 7.397 8.825 0.471 1.00 0.00 H new ATOM 291 N GLY A 19 5.207 7.450 8.739 1.00 0.00 N ATOM 292 CA GLY A 19 4.736 6.733 9.932 1.00 0.00 C ATOM 293 C GLY A 19 3.286 6.248 9.838 1.00 0.00 C ATOM 294 O GLY A 19 2.905 5.302 10.524 1.00 0.00 O ATOM 0 H GLY A 19 5.647 6.823 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.384 5.874 10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.834 7.387 10.798 1.00 0.00 H new ATOM 298 N VAL A 20 2.474 6.866 8.979 1.00 0.00 N ATOM 299 CA VAL A 20 1.088 6.480 8.673 1.00 0.00 C ATOM 300 C VAL A 20 0.810 6.769 7.199 1.00 0.00 C ATOM 301 O VAL A 20 1.038 7.888 6.741 1.00 0.00 O ATOM 302 CB VAL A 20 0.066 7.261 9.532 1.00 0.00 C ATOM 303 CG1 VAL A 20 -1.362 6.772 9.255 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.314 7.130 11.040 1.00 0.00 C ATOM 0 H VAL A 20 2.774 7.686 8.452 1.00 0.00 H new ATOM 0 HA VAL A 20 0.978 5.419 8.897 1.00 0.00 H new ATOM 0 HB VAL A 20 0.190 8.306 9.248 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.065 7.335 9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.600 6.922 8.202 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.437 5.712 9.497 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.438 7.702 11.583 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.251 6.081 11.329 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.305 7.514 11.280 1.00 0.00 H new ATOM 314 N GLY A 21 0.310 5.775 6.465 1.00 0.00 N ATOM 315 CA GLY A 21 -0.119 5.877 5.071 1.00 0.00 C ATOM 316 C GLY A 21 -1.562 5.401 4.890 1.00 0.00 C ATOM 317 O GLY A 21 -2.127 4.731 5.759 1.00 0.00 O ATOM 0 H GLY A 21 0.188 4.836 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.032 6.911 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.543 5.282 4.441 1.00 0.00 H new ATOM 321 N VAL A 22 -2.154 5.732 3.743 1.00 0.00 N ATOM 322 CA VAL A 22 -3.510 5.325 3.343 1.00 0.00 C ATOM 323 C VAL A 22 -3.478 4.762 1.927 1.00 0.00 C ATOM 324 O VAL A 22 -3.088 5.453 0.987 1.00 0.00 O ATOM 325 CB VAL A 22 -4.496 6.506 3.434 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.861 6.138 2.841 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.742 6.919 4.890 1.00 0.00 C ATOM 0 H VAL A 22 -1.692 6.309 3.040 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.857 4.552 4.029 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.040 7.323 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.534 6.992 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.741 5.867 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.280 5.294 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.442 7.754 4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.160 6.077 5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.799 7.220 5.347 1.00 0.00 H new ATOM 337 N VAL A 23 -3.879 3.501 1.765 1.00 0.00 N ATOM 338 CA VAL A 23 -4.006 2.853 0.449 1.00 0.00 C ATOM 339 C VAL A 23 -5.164 3.481 -0.343 1.00 0.00 C ATOM 340 O VAL A 23 -6.283 3.565 0.167 1.00 0.00 O ATOM 341 CB VAL A 23 -4.227 1.335 0.600 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.164 0.655 -0.773 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.215 0.688 1.567 1.00 0.00 C ATOM 0 H VAL A 23 -4.128 2.892 2.545 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.076 3.009 -0.098 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.218 1.192 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.321 -0.417 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.939 1.067 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.186 0.831 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.413 -0.381 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.203 0.845 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.313 1.142 2.553 1.00 0.00 H new ATOM 353 N ALA A 24 -4.914 3.913 -1.581 1.00 0.00 N ATOM 354 CA ALA A 24 -5.918 4.442 -2.509 1.00 0.00 C ATOM 355 C ALA A 24 -6.498 3.353 -3.435 1.00 0.00 C ATOM 356 O ALA A 24 -7.718 3.203 -3.528 1.00 0.00 O ATOM 357 CB ALA A 24 -5.285 5.584 -3.316 1.00 0.00 C ATOM 0 H ALA A 24 -3.975 3.904 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.762 4.820 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.020 5.989 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.956 6.371 -2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.428 5.205 -3.873 1.00 0.00 H new ATOM 363 N GLY A 25 -5.636 2.589 -4.119 1.00 0.00 N ATOM 364 CA GLY A 25 -6.027 1.524 -5.051 1.00 0.00 C ATOM 365 C GLY A 25 -4.835 0.780 -5.663 1.00 0.00 C ATOM 366 O GLY A 25 -3.679 1.088 -5.365 1.00 0.00 O ATOM 0 H GLY A 25 -4.625 2.697 -4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.662 0.809 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.626 1.955 -5.853 1.00 0.00 H new ATOM 370 N ILE A 26 -5.119 -0.216 -6.505 1.00 0.00 N ATOM 371 CA ILE A 26 -4.119 -1.021 -7.222 1.00 0.00 C ATOM 372 C ILE A 26 -3.798 -0.372 -8.581 1.00 0.00 C ATOM 373 O ILE A 26 -4.695 -0.114 -9.386 1.00 0.00 O ATOM 374 CB ILE A 26 -4.593 -2.488 -7.414 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.759 -3.284 -6.098 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.544 -3.255 -8.236 1.00 0.00 C ATOM 377 CD1 ILE A 26 -6.011 -2.954 -5.283 1.00 0.00 C ATOM 0 H ILE A 26 -6.077 -0.495 -6.715 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.213 -1.050 -6.617 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.566 -2.412 -7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.771 -4.348 -6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.883 -3.107 -5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.872 -4.285 -8.374 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.425 -2.779 -9.209 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.590 -3.245 -7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.030 -3.567 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.997 -1.900 -5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.899 -3.160 -5.881 1.00 0.00 H new ATOM 389 N ALA A 27 -2.508 -0.168 -8.849 1.00 0.00 N ATOM 390 CA ALA A 27 -1.950 0.335 -10.108 1.00 0.00 C ATOM 391 C ALA A 27 -0.991 -0.686 -10.739 1.00 0.00 C ATOM 392 O ALA A 27 0.040 -1.016 -10.150 1.00 0.00 O ATOM 393 CB ALA A 27 -1.232 1.670 -9.863 1.00 0.00 C ATOM 0 H ALA A 27 -1.784 -0.359 -8.157 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.770 0.494 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.819 2.039 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.941 2.397 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.425 1.523 -9.145 1.00 0.00 H new ATOM 399 N GLN A 28 -1.329 -1.212 -11.920 1.00 0.00 N ATOM 400 CA GLN A 28 -0.449 -2.113 -12.669 1.00 0.00 C ATOM 401 C GLN A 28 0.597 -1.319 -13.481 1.00 0.00 C ATOM 402 O GLN A 28 0.255 -0.623 -14.442 1.00 0.00 O ATOM 403 CB GLN A 28 -1.261 -3.073 -13.552 1.00 0.00 C ATOM 404 CG GLN A 28 -2.242 -3.932 -12.734 1.00 0.00 C ATOM 405 CD GLN A 28 -2.503 -5.292 -13.379 1.00 0.00 C ATOM 406 OE1 GLN A 28 -3.510 -5.525 -14.034 1.00 0.00 O ATOM 407 NE2 GLN A 28 -1.608 -6.247 -13.217 1.00 0.00 N ATOM 0 H GLN A 28 -2.219 -1.026 -12.383 1.00 0.00 H new ATOM 0 HA GLN A 28 0.099 -2.725 -11.953 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.816 -2.499 -14.294 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.579 -3.725 -14.098 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.842 -4.080 -11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.186 -3.397 -12.626 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.764 -6.068 -12.674 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.760 -7.165 -13.635 1.00 0.00 H new ATOM 416 N ARG A 29 1.879 -1.435 -13.108 1.00 0.00 N ATOM 417 CA ARG A 29 3.057 -0.823 -13.759 1.00 0.00 C ATOM 418 C ARG A 29 3.780 -1.840 -14.642 1.00 0.00 C ATOM 419 O ARG A 29 4.235 -2.871 -14.150 1.00 0.00 O ATOM 420 CB ARG A 29 4.012 -0.270 -12.679 1.00 0.00 C ATOM 421 CG ARG A 29 3.725 1.198 -12.319 1.00 0.00 C ATOM 422 CD ARG A 29 4.566 2.192 -13.146 1.00 0.00 C ATOM 423 NE ARG A 29 5.529 2.925 -12.297 1.00 0.00 N ATOM 424 CZ ARG A 29 6.358 3.889 -12.658 1.00 0.00 C ATOM 425 NH1 ARG A 29 6.467 4.287 -13.894 1.00 0.00 N ATOM 426 NH2 ARG A 29 7.102 4.483 -11.769 1.00 0.00 N ATOM 0 H ARG A 29 2.143 -1.991 -12.295 1.00 0.00 H new ATOM 0 HA ARG A 29 2.723 -0.005 -14.397 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.929 -0.882 -11.781 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.040 -0.358 -13.031 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.667 1.406 -12.477 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.926 1.353 -11.259 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.104 1.654 -13.926 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.906 2.901 -13.645 1.00 0.00 H new ATOM 0 HE ARG A 29 5.557 2.654 -11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.901 3.851 -14.622 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.118 5.034 -14.134 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.046 4.205 -10.789 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.740 5.226 -12.053 1.00 0.00 H new ATOM 440 N SER A 30 3.867 -1.564 -15.941 1.00 0.00 N ATOM 441 CA SER A 30 4.603 -2.344 -16.950 1.00 0.00 C ATOM 442 C SER A 30 6.118 -2.363 -16.679 1.00 0.00 C ATOM 443 O SER A 30 6.818 -1.381 -16.935 1.00 0.00 O ATOM 444 CB SER A 30 4.271 -1.821 -18.361 1.00 0.00 C ATOM 445 OG SER A 30 4.186 -0.401 -18.423 1.00 0.00 O ATOM 0 H SER A 30 3.405 -0.750 -16.346 1.00 0.00 H new ATOM 0 HA SER A 30 4.277 -3.382 -16.884 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.035 -2.164 -19.059 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.324 -2.251 -18.688 1.00 0.00 H new ATOM 0 HG SER A 30 3.975 -0.126 -19.340 1.00 0.00 H new ATOM 451 N VAL A 31 6.627 -3.481 -16.144 1.00 0.00 N ATOM 452 CA VAL A 31 8.037 -3.699 -15.759 1.00 0.00 C ATOM 453 C VAL A 31 8.539 -5.020 -16.351 1.00 0.00 C ATOM 454 O VAL A 31 7.910 -6.059 -16.175 1.00 0.00 O ATOM 455 CB VAL A 31 8.194 -3.698 -14.220 1.00 0.00 C ATOM 456 CG1 VAL A 31 9.650 -3.957 -13.805 1.00 0.00 C ATOM 457 CG2 VAL A 31 7.770 -2.358 -13.603 1.00 0.00 C ATOM 0 H VAL A 31 6.045 -4.298 -15.957 1.00 0.00 H new ATOM 0 HA VAL A 31 8.638 -2.882 -16.157 1.00 0.00 H new ATOM 0 HB VAL A 31 7.548 -4.496 -13.854 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.725 -3.950 -12.718 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.969 -4.928 -14.184 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.290 -3.178 -14.218 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.896 -2.400 -12.521 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.389 -1.558 -14.010 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.724 -2.163 -13.839 1.00 0.00 H new ATOM 467 N SER A 32 9.665 -5.009 -17.075 1.00 0.00 N ATOM 468 CA SER A 32 10.223 -6.201 -17.754 1.00 0.00 C ATOM 469 C SER A 32 9.235 -6.873 -18.742 1.00 0.00 C ATOM 470 O SER A 32 9.298 -8.075 -19.015 1.00 0.00 O ATOM 471 CB SER A 32 10.765 -7.176 -16.692 1.00 0.00 C ATOM 472 OG SER A 32 11.730 -8.065 -17.237 1.00 0.00 O ATOM 0 H SER A 32 10.225 -4.168 -17.212 1.00 0.00 H new ATOM 0 HA SER A 32 11.047 -5.876 -18.389 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.212 -6.611 -15.874 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.940 -7.749 -16.270 1.00 0.00 H new ATOM 0 HG SER A 32 11.383 -8.457 -18.065 1.00 0.00 H new ATOM 478 N GLY A 33 8.279 -6.099 -19.271 1.00 0.00 N ATOM 479 CA GLY A 33 7.202 -6.557 -20.162 1.00 0.00 C ATOM 480 C GLY A 33 5.963 -7.135 -19.456 1.00 0.00 C ATOM 481 O GLY A 33 4.979 -7.444 -20.131 1.00 0.00 O ATOM 0 H GLY A 33 8.231 -5.097 -19.084 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.887 -5.719 -20.784 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.606 -7.317 -20.831 1.00 0.00 H new ATOM 485 N VAL A 34 5.972 -7.259 -18.122 1.00 0.00 N ATOM 486 CA VAL A 34 4.848 -7.737 -17.296 1.00 0.00 C ATOM 487 C VAL A 34 4.337 -6.624 -16.379 1.00 0.00 C ATOM 488 O VAL A 34 5.084 -6.023 -15.608 1.00 0.00 O ATOM 489 CB VAL A 34 5.204 -9.035 -16.534 1.00 0.00 C ATOM 490 CG1 VAL A 34 6.423 -8.943 -15.608 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.013 -9.544 -15.713 1.00 0.00 C ATOM 0 H VAL A 34 6.792 -7.021 -17.565 1.00 0.00 H new ATOM 0 HA VAL A 34 4.026 -8.002 -17.960 1.00 0.00 H new ATOM 0 HB VAL A 34 5.465 -9.733 -17.330 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.585 -9.906 -15.123 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.304 -8.678 -16.192 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.247 -8.180 -14.850 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.296 -10.457 -15.190 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.721 -8.785 -14.987 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.175 -9.752 -16.378 1.00 0.00 H new ATOM 501 N SER A 35 3.048 -6.299 -16.476 1.00 0.00 N ATOM 502 CA SER A 35 2.423 -5.323 -15.582 1.00 0.00 C ATOM 503 C SER A 35 2.330 -5.913 -14.170 1.00 0.00 C ATOM 504 O SER A 35 1.651 -6.924 -13.965 1.00 0.00 O ATOM 505 CB SER A 35 1.030 -4.899 -16.093 1.00 0.00 C ATOM 506 OG SER A 35 0.787 -5.289 -17.441 1.00 0.00 O ATOM 0 H SER A 35 2.414 -6.699 -17.167 1.00 0.00 H new ATOM 0 HA SER A 35 3.042 -4.426 -15.558 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.265 -5.336 -15.451 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.934 -3.816 -16.011 1.00 0.00 H new ATOM 0 HG SER A 35 -0.109 -4.996 -17.710 1.00 0.00 H new ATOM 512 N ARG A 36 2.960 -5.272 -13.177 1.00 0.00 N ATOM 513 CA ARG A 36 2.883 -5.687 -11.765 1.00 0.00 C ATOM 514 C ARG A 36 1.991 -4.728 -11.007 1.00 0.00 C ATOM 515 O ARG A 36 2.123 -3.515 -11.152 1.00 0.00 O ATOM 516 CB ARG A 36 4.276 -5.740 -11.115 1.00 0.00 C ATOM 517 CG ARG A 36 5.264 -6.560 -11.952 1.00 0.00 C ATOM 518 CD ARG A 36 6.308 -7.302 -11.100 1.00 0.00 C ATOM 519 NE ARG A 36 6.683 -8.592 -11.715 1.00 0.00 N ATOM 520 CZ ARG A 36 5.955 -9.698 -11.751 1.00 0.00 C ATOM 521 NH1 ARG A 36 4.780 -9.778 -11.191 1.00 0.00 N ATOM 522 NH2 ARG A 36 6.390 -10.759 -12.367 1.00 0.00 N ATOM 0 H ARG A 36 3.541 -4.447 -13.328 1.00 0.00 H new ATOM 0 HA ARG A 36 2.463 -6.692 -11.726 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.658 -4.727 -10.991 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.196 -6.174 -10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.711 -7.284 -12.550 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.777 -5.898 -12.649 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.196 -6.680 -10.985 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.909 -7.475 -10.101 1.00 0.00 H new ATOM 0 HE ARG A 36 7.600 -8.636 -12.159 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.391 -8.971 -10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.250 -10.648 -11.240 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.300 -10.744 -12.828 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.821 -11.605 -12.389 1.00 0.00 H new ATOM 536 N ALA A 37 1.092 -5.269 -10.197 1.00 0.00 N ATOM 537 CA ALA A 37 0.215 -4.481 -9.347 1.00 0.00 C ATOM 538 C ALA A 37 0.989 -3.896 -8.153 1.00 0.00 C ATOM 539 O ALA A 37 1.832 -4.559 -7.541 1.00 0.00 O ATOM 540 CB ALA A 37 -0.966 -5.364 -8.933 1.00 0.00 C ATOM 0 H ALA A 37 0.951 -6.276 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.177 -3.618 -9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.640 -4.794 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.503 -5.694 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.597 -6.233 -8.388 1.00 0.00 H new ATOM 546 N TYR A 38 0.658 -2.653 -7.817 1.00 0.00 N ATOM 547 CA TYR A 38 1.234 -1.887 -6.721 1.00 0.00 C ATOM 548 C TYR A 38 0.160 -1.069 -5.999 1.00 0.00 C ATOM 549 O TYR A 38 -0.614 -0.354 -6.641 1.00 0.00 O ATOM 550 CB TYR A 38 2.311 -0.951 -7.281 1.00 0.00 C ATOM 551 CG TYR A 38 3.609 -1.635 -7.673 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.528 -1.987 -6.670 1.00 0.00 C ATOM 553 CD2 TYR A 38 3.918 -1.903 -9.020 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.749 -2.600 -6.998 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.151 -2.493 -9.360 1.00 0.00 C ATOM 556 CZ TYR A 38 6.066 -2.855 -8.348 1.00 0.00 C ATOM 557 OH TYR A 38 7.250 -3.451 -8.659 1.00 0.00 O ATOM 0 H TYR A 38 -0.053 -2.129 -8.327 1.00 0.00 H new ATOM 0 HA TYR A 38 1.674 -2.577 -6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.908 -0.439 -8.155 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.530 -0.186 -6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.293 -1.784 -5.636 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.208 -1.656 -9.795 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.443 -2.875 -6.218 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.397 -2.669 -10.397 1.00 0.00 H new ATOM 0 HH TYR A 38 7.317 -3.558 -9.631 1.00 0.00 H new ATOM 567 N TYR A 39 0.091 -1.179 -4.672 1.00 0.00 N ATOM 568 CA TYR A 39 -0.813 -0.376 -3.849 1.00 0.00 C ATOM 569 C TYR A 39 -0.325 1.075 -3.831 1.00 0.00 C ATOM 570 O TYR A 39 0.759 1.361 -3.320 1.00 0.00 O ATOM 571 CB TYR A 39 -0.887 -0.932 -2.422 1.00 0.00 C ATOM 572 CG TYR A 39 -1.292 -2.386 -2.315 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.412 -2.864 -3.022 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.541 -3.265 -1.513 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.776 -4.221 -2.939 1.00 0.00 C ATOM 576 CE2 TYR A 39 -0.913 -4.617 -1.414 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.043 -5.099 -2.111 1.00 0.00 C ATOM 578 OH TYR A 39 -2.411 -6.405 -2.013 1.00 0.00 O ATOM 0 H TYR A 39 0.663 -1.831 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.815 -0.417 -4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.088 -0.808 -1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.596 -0.331 -1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.994 -2.187 -3.630 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.321 -2.901 -0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.616 -4.591 -3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.332 -5.291 -0.802 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.802 -6.872 -1.404 1.00 0.00 H new ATOM 588 N GLN A 40 -1.106 1.981 -4.416 1.00 0.00 N ATOM 589 CA GLN A 40 -0.859 3.420 -4.410 1.00 0.00 C ATOM 590 C GLN A 40 -1.140 3.967 -3.002 1.00 0.00 C ATOM 591 O GLN A 40 -2.301 4.119 -2.622 1.00 0.00 O ATOM 592 CB GLN A 40 -1.782 4.104 -5.438 1.00 0.00 C ATOM 593 CG GLN A 40 -1.678 3.540 -6.863 1.00 0.00 C ATOM 594 CD GLN A 40 -2.731 4.156 -7.782 1.00 0.00 C ATOM 595 OE1 GLN A 40 -3.652 3.507 -8.259 1.00 0.00 O ATOM 596 NE2 GLN A 40 -2.648 5.440 -8.050 1.00 0.00 N ATOM 0 H GLN A 40 -1.954 1.725 -4.922 1.00 0.00 H new ATOM 0 HA GLN A 40 0.178 3.623 -4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.814 4.012 -5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.549 5.169 -5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.683 3.737 -7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.803 2.457 -6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.886 5.994 -7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.346 5.882 -8.648 1.00 0.00 H new ATOM 605 N VAL A 41 -0.106 4.239 -2.205 1.00 0.00 N ATOM 606 CA VAL A 41 -0.274 4.854 -0.874 1.00 0.00 C ATOM 607 C VAL A 41 -0.292 6.382 -0.997 1.00 0.00 C ATOM 608 O VAL A 41 0.377 6.937 -1.861 1.00 0.00 O ATOM 609 CB VAL A 41 0.835 4.404 0.096 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.516 4.830 1.536 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.988 2.877 0.115 1.00 0.00 C ATOM 0 H VAL A 41 0.864 4.045 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.228 4.520 -0.465 1.00 0.00 H new ATOM 0 HB VAL A 41 1.752 4.875 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.316 4.499 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.431 5.916 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.425 4.378 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.780 2.599 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.050 2.421 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.243 2.524 -0.884 1.00 0.00 H new ATOM 621 N ASP A 42 -1.023 7.072 -0.126 1.00 0.00 N ATOM 622 CA ASP A 42 -1.081 8.534 -0.023 1.00 0.00 C ATOM 623 C ASP A 42 -0.864 8.966 1.440 1.00 0.00 C ATOM 624 O ASP A 42 -1.296 8.275 2.372 1.00 0.00 O ATOM 625 CB ASP A 42 -2.434 9.031 -0.577 1.00 0.00 C ATOM 626 CG ASP A 42 -2.256 10.139 -1.627 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.768 11.235 -1.268 1.00 0.00 O ATOM 628 OD2 ASP A 42 -2.629 9.925 -2.807 1.00 0.00 O ATOM 0 H ASP A 42 -1.620 6.610 0.560 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.286 8.985 -0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.973 8.194 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.046 9.405 0.244 1.00 0.00 H new ATOM 633 N PHE A 43 -0.199 10.107 1.648 1.00 0.00 N ATOM 634 CA PHE A 43 0.162 10.650 2.967 1.00 0.00 C ATOM 635 C PHE A 43 -0.261 12.126 3.082 1.00 0.00 C ATOM 636 O PHE A 43 -0.163 12.858 2.091 1.00 0.00 O ATOM 637 CB PHE A 43 1.680 10.528 3.207 1.00 0.00 C ATOM 638 CG PHE A 43 2.311 9.246 2.702 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.269 8.081 3.482 1.00 0.00 C ATOM 640 CD2 PHE A 43 2.906 9.210 1.430 1.00 0.00 C ATOM 641 CE1 PHE A 43 2.799 6.880 2.986 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.440 8.013 0.928 1.00 0.00 C ATOM 643 CZ PHE A 43 3.382 6.846 1.707 1.00 0.00 C ATOM 0 H PHE A 43 0.114 10.700 0.879 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.366 10.070 3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.177 11.372 2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.871 10.611 4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.827 8.108 4.467 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.953 10.110 0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.759 5.983 3.586 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.893 7.990 -0.052 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.786 5.921 1.323 1.00 0.00 H new ATOM 653 N PRO A 44 -0.695 12.608 4.263 1.00 0.00 N ATOM 654 CA PRO A 44 -1.067 14.011 4.452 1.00 0.00 C ATOM 655 C PRO A 44 0.148 14.959 4.395 1.00 0.00 C ATOM 656 O PRO A 44 1.303 14.545 4.522 1.00 0.00 O ATOM 657 CB PRO A 44 -1.783 14.052 5.806 1.00 0.00 C ATOM 658 CG PRO A 44 -1.152 12.896 6.580 1.00 0.00 C ATOM 659 CD PRO A 44 -0.886 11.855 5.495 1.00 0.00 C ATOM 0 HA PRO A 44 -1.711 14.366 3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.629 15.005 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.859 13.920 5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.233 13.200 7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.822 12.513 7.350 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.003 11.261 5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.722 11.162 5.404 1.00 0.00 H new ATOM 667 N GLY A 45 -0.120 16.254 4.201 1.00 0.00 N ATOM 668 CA GLY A 45 0.877 17.335 4.107 1.00 0.00 C ATOM 669 C GLY A 45 1.506 17.530 2.717 1.00 0.00 C ATOM 670 O GLY A 45 1.993 18.624 2.417 1.00 0.00 O ATOM 0 H GLY A 45 -1.076 16.596 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.404 18.270 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.674 17.135 4.823 1.00 0.00 H new ATOM 674 N SER A 46 1.468 16.503 1.861 1.00 0.00 N ATOM 675 CA SER A 46 2.061 16.458 0.511 1.00 0.00 C ATOM 676 C SER A 46 1.223 15.580 -0.441 1.00 0.00 C ATOM 677 O SER A 46 0.155 15.088 -0.069 1.00 0.00 O ATOM 678 CB SER A 46 3.498 15.894 0.585 1.00 0.00 C ATOM 679 OG SER A 46 4.301 16.547 1.558 1.00 0.00 O ATOM 0 H SER A 46 0.998 15.630 2.101 1.00 0.00 H new ATOM 0 HA SER A 46 2.078 17.476 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.453 14.829 0.814 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.971 15.990 -0.392 1.00 0.00 H new ATOM 0 HG SER A 46 5.197 16.150 1.563 1.00 0.00 H new ATOM 685 N ARG A 47 1.704 15.371 -1.677 1.00 0.00 N ATOM 686 CA ARG A 47 1.109 14.478 -2.701 1.00 0.00 C ATOM 687 C ARG A 47 1.964 13.236 -2.988 1.00 0.00 C ATOM 688 O ARG A 47 1.681 12.490 -3.927 1.00 0.00 O ATOM 689 CB ARG A 47 0.764 15.274 -3.975 1.00 0.00 C ATOM 690 CG ARG A 47 1.977 15.762 -4.793 1.00 0.00 C ATOM 691 CD ARG A 47 2.220 14.938 -6.068 1.00 0.00 C ATOM 692 NE ARG A 47 3.176 15.617 -6.963 1.00 0.00 N ATOM 693 CZ ARG A 47 3.687 15.158 -8.092 1.00 0.00 C ATOM 694 NH1 ARG A 47 3.458 13.949 -8.519 1.00 0.00 N ATOM 695 NH2 ARG A 47 4.447 15.921 -8.825 1.00 0.00 N ATOM 0 H ARG A 47 2.550 15.834 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 47 0.178 14.086 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.141 14.650 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.165 16.139 -3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.826 16.806 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.869 15.722 -4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.603 13.953 -5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.276 14.782 -6.590 1.00 0.00 H new ATOM 0 HE ARG A 47 3.478 16.549 -6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.866 13.320 -7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.871 13.631 -9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.649 16.876 -8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.840 15.564 -9.696 1.00 0.00 H new ATOM 709 N SER A 48 3.024 13.030 -2.199 1.00 0.00 N ATOM 710 CA SER A 48 3.922 11.871 -2.296 1.00 0.00 C ATOM 711 C SER A 48 3.134 10.564 -2.211 1.00 0.00 C ATOM 712 O SER A 48 2.149 10.456 -1.475 1.00 0.00 O ATOM 713 CB SER A 48 4.987 11.897 -1.190 1.00 0.00 C ATOM 714 OG SER A 48 5.910 12.954 -1.406 1.00 0.00 O ATOM 0 H SER A 48 3.289 13.679 -1.458 1.00 0.00 H new ATOM 0 HA SER A 48 4.420 11.928 -3.264 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.507 12.020 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.517 10.945 -1.166 1.00 0.00 H new ATOM 0 HG SER A 48 6.579 12.955 -0.690 1.00 0.00 H new ATOM 720 N LYS A 49 3.591 9.565 -2.967 1.00 0.00 N ATOM 721 CA LYS A 49 2.998 8.230 -3.037 1.00 0.00 C ATOM 722 C LYS A 49 4.078 7.162 -3.111 1.00 0.00 C ATOM 723 O LYS A 49 5.094 7.339 -3.785 1.00 0.00 O ATOM 724 CB LYS A 49 1.990 8.156 -4.202 1.00 0.00 C ATOM 725 CG LYS A 49 2.589 8.394 -5.602 1.00 0.00 C ATOM 726 CD LYS A 49 1.577 9.040 -6.562 1.00 0.00 C ATOM 727 CE LYS A 49 0.432 8.108 -6.982 1.00 0.00 C ATOM 728 NZ LYS A 49 -0.714 8.888 -7.524 1.00 0.00 N ATOM 0 H LYS A 49 4.410 9.666 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 49 2.439 8.033 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.515 7.175 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.205 8.892 -4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.467 9.035 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.927 7.445 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.155 9.926 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.103 9.378 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.787 7.405 -7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.104 7.519 -6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.476 8.237 -7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.065 9.542 -6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.403 9.431 -8.355 1.00 0.00 H new ATOM 742 N ALA A 50 3.842 6.058 -2.414 1.00 0.00 N ATOM 743 CA ALA A 50 4.716 4.896 -2.394 1.00 0.00 C ATOM 744 C ALA A 50 3.978 3.713 -3.027 1.00 0.00 C ATOM 745 O ALA A 50 2.814 3.469 -2.704 1.00 0.00 O ATOM 746 CB ALA A 50 5.138 4.615 -0.952 1.00 0.00 C ATOM 0 H ALA A 50 3.013 5.945 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 50 5.622 5.073 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.794 3.745 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.668 5.480 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.254 4.420 -0.346 1.00 0.00 H new ATOM 752 N TYR A 51 4.627 3.014 -3.957 1.00 0.00 N ATOM 753 CA TYR A 51 4.052 1.874 -4.673 1.00 0.00 C ATOM 754 C TYR A 51 4.479 0.575 -3.979 1.00 0.00 C ATOM 755 O TYR A 51 5.598 0.094 -4.175 1.00 0.00 O ATOM 756 CB TYR A 51 4.485 1.936 -6.154 1.00 0.00 C ATOM 757 CG TYR A 51 3.568 2.748 -7.060 1.00 0.00 C ATOM 758 CD1 TYR A 51 3.077 4.002 -6.645 1.00 0.00 C ATOM 759 CD2 TYR A 51 3.191 2.242 -8.322 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.187 4.721 -7.456 1.00 0.00 C ATOM 761 CE2 TYR A 51 2.296 2.961 -9.141 1.00 0.00 C ATOM 762 CZ TYR A 51 1.783 4.202 -8.704 1.00 0.00 C ATOM 763 OH TYR A 51 0.901 4.902 -9.469 1.00 0.00 O ATOM 0 H TYR A 51 5.584 3.227 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 51 2.963 1.906 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.489 2.358 -6.206 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.546 0.919 -6.542 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.388 4.412 -5.696 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.590 1.298 -8.663 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.809 5.677 -7.124 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.003 2.563 -10.101 1.00 0.00 H new ATOM 0 HH TYR A 51 0.725 4.410 -10.298 1.00 0.00 H new ATOM 773 N VAL A 52 3.601 0.013 -3.142 1.00 0.00 N ATOM 774 CA VAL A 52 3.890 -1.218 -2.380 1.00 0.00 C ATOM 775 C VAL A 52 3.587 -2.466 -3.223 1.00 0.00 C ATOM 776 O VAL A 52 2.466 -2.580 -3.725 1.00 0.00 O ATOM 777 CB VAL A 52 3.102 -1.272 -1.059 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.373 -2.574 -0.299 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.450 -0.069 -0.169 1.00 0.00 C ATOM 0 H VAL A 52 2.670 0.393 -2.970 1.00 0.00 H new ATOM 0 HA VAL A 52 4.953 -1.202 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 52 2.042 -1.235 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.801 -2.579 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.075 -3.423 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.436 -2.647 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.882 -0.127 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.516 -0.080 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.199 0.854 -0.691 1.00 0.00 H new ATOM 789 N PRO A 53 4.537 -3.410 -3.390 1.00 0.00 N ATOM 790 CA PRO A 53 4.333 -4.624 -4.183 1.00 0.00 C ATOM 791 C PRO A 53 3.279 -5.544 -3.558 1.00 0.00 C ATOM 792 O PRO A 53 3.394 -5.924 -2.395 1.00 0.00 O ATOM 793 CB PRO A 53 5.703 -5.312 -4.245 1.00 0.00 C ATOM 794 CG PRO A 53 6.416 -4.814 -2.989 1.00 0.00 C ATOM 795 CD PRO A 53 5.885 -3.394 -2.833 1.00 0.00 C ATOM 0 HA PRO A 53 3.956 -4.384 -5.177 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.606 -6.398 -4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.247 -5.039 -5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.182 -5.430 -2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.499 -4.829 -3.107 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.871 -3.095 -1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.518 -2.680 -3.360 1.00 0.00 H new ATOM 803 N VAL A 54 2.276 -5.955 -4.338 1.00 0.00 N ATOM 804 CA VAL A 54 1.228 -6.895 -3.884 1.00 0.00 C ATOM 805 C VAL A 54 1.744 -8.305 -3.557 1.00 0.00 C ATOM 806 O VAL A 54 1.109 -9.033 -2.796 1.00 0.00 O ATOM 807 CB VAL A 54 0.087 -7.012 -4.911 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.551 -5.650 -5.197 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.553 -7.632 -6.234 1.00 0.00 C ATOM 0 H VAL A 54 2.161 -5.650 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 54 0.858 -6.458 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.653 -7.673 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.352 -5.770 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.959 -5.238 -4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.203 -4.971 -5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.289 -7.692 -6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.336 -7.012 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.943 -8.633 -6.049 1.00 0.00 H new ATOM 819 N GLU A 55 2.889 -8.704 -4.124 1.00 0.00 N ATOM 820 CA GLU A 55 3.494 -10.032 -3.925 1.00 0.00 C ATOM 821 C GLU A 55 4.097 -10.185 -2.524 1.00 0.00 C ATOM 822 O GLU A 55 3.880 -11.195 -1.850 1.00 0.00 O ATOM 823 CB GLU A 55 4.601 -10.275 -4.964 1.00 0.00 C ATOM 824 CG GLU A 55 4.097 -10.239 -6.415 1.00 0.00 C ATOM 825 CD GLU A 55 4.383 -11.559 -7.159 1.00 0.00 C ATOM 826 OE1 GLU A 55 5.570 -11.863 -7.435 1.00 0.00 O ATOM 827 OE2 GLU A 55 3.422 -12.299 -7.480 1.00 0.00 O ATOM 0 H GLU A 55 3.432 -8.105 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 55 2.695 -10.764 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.378 -9.521 -4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.063 -11.244 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.025 -10.044 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.574 -9.414 -6.944 1.00 0.00 H new ATOM 834 N ALA A 56 4.851 -9.172 -2.089 1.00 0.00 N ATOM 835 CA ALA A 56 5.480 -9.105 -0.772 1.00 0.00 C ATOM 836 C ALA A 56 5.317 -7.699 -0.155 1.00 0.00 C ATOM 837 O ALA A 56 6.300 -6.973 0.010 1.00 0.00 O ATOM 838 CB ALA A 56 6.946 -9.542 -0.928 1.00 0.00 C ATOM 0 H ALA A 56 5.045 -8.352 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 56 4.994 -9.781 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.443 -9.502 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.983 -10.561 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.453 -8.873 -1.623 1.00 0.00 H new ATOM 844 N PRO A 57 4.100 -7.302 0.264 1.00 0.00 N ATOM 845 CA PRO A 57 3.862 -5.952 0.775 1.00 0.00 C ATOM 846 C PRO A 57 4.530 -5.732 2.136 1.00 0.00 C ATOM 847 O PRO A 57 4.951 -4.626 2.454 1.00 0.00 O ATOM 848 CB PRO A 57 2.339 -5.804 0.823 1.00 0.00 C ATOM 849 CG PRO A 57 1.837 -7.236 0.995 1.00 0.00 C ATOM 850 CD PRO A 57 2.852 -8.049 0.191 1.00 0.00 C ATOM 0 HA PRO A 57 4.305 -5.188 0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.025 -5.168 1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.952 -5.352 -0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.818 -7.535 2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.825 -7.359 0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.970 -9.050 0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.527 -8.169 -0.843 1.00 0.00 H new ATOM 858 N HIS A 58 4.701 -6.799 2.924 1.00 0.00 N ATOM 859 CA HIS A 58 5.411 -6.778 4.204 1.00 0.00 C ATOM 860 C HIS A 58 6.941 -6.665 4.072 1.00 0.00 C ATOM 861 O HIS A 58 7.584 -6.235 5.029 1.00 0.00 O ATOM 862 CB HIS A 58 5.003 -8.016 5.022 1.00 0.00 C ATOM 863 CG HIS A 58 5.409 -9.332 4.398 1.00 0.00 C ATOM 864 ND1 HIS A 58 4.636 -10.117 3.557 1.00 0.00 N ATOM 865 CD2 HIS A 58 6.615 -9.952 4.570 1.00 0.00 C ATOM 866 CE1 HIS A 58 5.380 -11.185 3.200 1.00 0.00 C ATOM 867 NE2 HIS A 58 6.584 -11.107 3.808 1.00 0.00 N ATOM 0 H HIS A 58 4.340 -7.722 2.682 1.00 0.00 H new ATOM 0 HA HIS A 58 5.114 -5.869 4.727 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.448 -7.945 6.015 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.921 -8.009 5.156 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.435 -9.607 5.183 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.064 -11.975 2.535 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.342 -11.784 3.720 1.00 0.00 H new ATOM 876 N SER A 59 7.546 -7.007 2.922 1.00 0.00 N ATOM 877 CA SER A 59 9.018 -7.008 2.760 1.00 0.00 C ATOM 878 C SER A 59 9.630 -5.600 2.845 1.00 0.00 C ATOM 879 O SER A 59 10.710 -5.422 3.411 1.00 0.00 O ATOM 880 CB SER A 59 9.452 -7.704 1.461 1.00 0.00 C ATOM 881 OG SER A 59 9.265 -6.876 0.326 1.00 0.00 O ATOM 0 H SER A 59 7.038 -7.289 2.083 1.00 0.00 H new ATOM 0 HA SER A 59 9.406 -7.581 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.502 -7.986 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.882 -8.625 1.336 1.00 0.00 H new ATOM 0 HG SER A 59 8.312 -6.838 0.102 1.00 0.00 H new ATOM 887 N VAL A 60 8.911 -4.586 2.343 1.00 0.00 N ATOM 888 CA VAL A 60 9.270 -3.154 2.420 1.00 0.00 C ATOM 889 C VAL A 60 9.048 -2.556 3.824 1.00 0.00 C ATOM 890 O VAL A 60 9.533 -1.464 4.122 1.00 0.00 O ATOM 891 CB VAL A 60 8.486 -2.376 1.339 1.00 0.00 C ATOM 892 CG1 VAL A 60 6.994 -2.228 1.662 1.00 0.00 C ATOM 893 CG2 VAL A 60 9.063 -0.991 1.031 1.00 0.00 C ATOM 0 H VAL A 60 8.030 -4.741 1.853 1.00 0.00 H new ATOM 0 HA VAL A 60 10.339 -3.061 2.230 1.00 0.00 H new ATOM 0 HB VAL A 60 8.597 -2.999 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.502 -1.673 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.541 -3.216 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.877 -1.691 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.459 -0.508 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.054 -0.384 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.088 -1.095 0.674 1.00 0.00 H new ATOM 903 N GLY A 61 8.328 -3.270 4.700 1.00 0.00 N ATOM 904 CA GLY A 61 7.956 -2.847 6.055 1.00 0.00 C ATOM 905 C GLY A 61 6.529 -2.293 6.200 1.00 0.00 C ATOM 906 O GLY A 61 6.178 -1.826 7.285 1.00 0.00 O ATOM 0 H GLY A 61 7.974 -4.199 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.068 -3.698 6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.660 -2.084 6.386 1.00 0.00 H new ATOM 910 N LEU A 62 5.693 -2.331 5.149 1.00 0.00 N ATOM 911 CA LEU A 62 4.281 -1.926 5.216 1.00 0.00 C ATOM 912 C LEU A 62 3.447 -2.964 5.992 1.00 0.00 C ATOM 913 O LEU A 62 3.312 -4.111 5.554 1.00 0.00 O ATOM 914 CB LEU A 62 3.696 -1.708 3.802 1.00 0.00 C ATOM 915 CG LEU A 62 2.276 -1.100 3.875 1.00 0.00 C ATOM 916 CD1 LEU A 62 2.336 0.418 3.998 1.00 0.00 C ATOM 917 CD2 LEU A 62 1.395 -1.456 2.680 1.00 0.00 C ATOM 0 H LEU A 62 5.981 -2.646 4.223 1.00 0.00 H new ATOM 0 HA LEU A 62 4.233 -0.978 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.349 -1.047 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.661 -2.658 3.269 1.00 0.00 H new ATOM 0 HG LEU A 62 1.824 -1.539 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.324 0.819 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.878 0.688 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.849 0.833 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.415 -0.995 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.858 -1.089 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.282 -2.539 2.621 1.00 0.00 H new ATOM 929 N ARG A 63 2.853 -2.553 7.118 1.00 0.00 N ATOM 930 CA ARG A 63 1.928 -3.349 7.954 1.00 0.00 C ATOM 931 C ARG A 63 0.709 -2.526 8.391 1.00 0.00 C ATOM 932 O ARG A 63 0.696 -1.300 8.286 1.00 0.00 O ATOM 933 CB ARG A 63 2.704 -3.935 9.159 1.00 0.00 C ATOM 934 CG ARG A 63 3.364 -5.290 8.831 1.00 0.00 C ATOM 935 CD ARG A 63 2.443 -6.473 9.173 1.00 0.00 C ATOM 936 NE ARG A 63 2.755 -7.697 8.402 1.00 0.00 N ATOM 937 CZ ARG A 63 3.781 -8.520 8.529 1.00 0.00 C ATOM 938 NH1 ARG A 63 4.752 -8.306 9.371 1.00 0.00 N ATOM 939 NH2 ARG A 63 3.853 -9.592 7.795 1.00 0.00 N ATOM 0 H ARG A 63 3.006 -1.617 7.493 1.00 0.00 H new ATOM 0 HA ARG A 63 1.534 -4.176 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.471 -3.227 9.473 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.022 -4.060 10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.619 -5.323 7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.297 -5.384 9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.524 -6.692 10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.409 -6.186 8.984 1.00 0.00 H new ATOM 0 HE ARG A 63 2.085 -7.939 7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.739 -7.477 9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.525 -8.968 9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.117 -9.798 7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.646 -10.226 7.895 1.00 0.00 H new ATOM 953 N LYS A 64 -0.327 -3.209 8.885 1.00 0.00 N ATOM 954 CA LYS A 64 -1.565 -2.625 9.437 1.00 0.00 C ATOM 955 C LYS A 64 -1.263 -1.908 10.758 1.00 0.00 C ATOM 956 O LYS A 64 -0.735 -2.520 11.689 1.00 0.00 O ATOM 957 CB LYS A 64 -2.613 -3.736 9.645 1.00 0.00 C ATOM 958 CG LYS A 64 -3.027 -4.415 8.326 1.00 0.00 C ATOM 959 CD LYS A 64 -3.732 -5.766 8.532 1.00 0.00 C ATOM 960 CE LYS A 64 -5.116 -5.796 7.874 1.00 0.00 C ATOM 961 NZ LYS A 64 -5.695 -7.167 7.896 1.00 0.00 N ATOM 0 H LYS A 64 -0.332 -4.229 8.915 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.966 -1.894 8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.211 -4.487 10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.496 -3.312 10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.689 -3.748 7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.141 -4.566 7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.116 -6.564 8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.833 -5.963 9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.783 -5.109 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.039 -5.448 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.631 -7.156 7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.069 -7.817 7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.790 -7.488 8.881 1.00 0.00 H new ATOM 975 N ALA A 65 -1.578 -0.618 10.849 1.00 0.00 N ATOM 976 CA ALA A 65 -1.431 0.181 12.066 1.00 0.00 C ATOM 977 C ALA A 65 -2.623 -0.060 13.015 1.00 0.00 C ATOM 978 O ALA A 65 -3.582 0.716 13.039 1.00 0.00 O ATOM 979 CB ALA A 65 -1.252 1.656 11.674 1.00 0.00 C ATOM 0 H ALA A 65 -1.951 -0.086 10.062 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.542 -0.122 12.620 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.141 2.261 12.574 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.362 1.762 11.054 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.125 1.993 11.116 1.00 0.00 H new ATOM 985 N LEU A 66 -2.573 -1.163 13.774 1.00 0.00 N ATOM 986 CA LEU A 66 -3.599 -1.601 14.730 1.00 0.00 C ATOM 987 C LEU A 66 -3.858 -0.527 15.811 1.00 0.00 C ATOM 988 O LEU A 66 -3.056 -0.352 16.734 1.00 0.00 O ATOM 989 CB LEU A 66 -3.186 -2.963 15.341 1.00 0.00 C ATOM 990 CG LEU A 66 -4.380 -3.918 15.537 1.00 0.00 C ATOM 991 CD1 LEU A 66 -4.688 -4.666 14.236 1.00 0.00 C ATOM 992 CD2 LEU A 66 -4.082 -4.951 16.623 1.00 0.00 C ATOM 0 H LEU A 66 -1.780 -1.803 13.737 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.544 -1.736 14.205 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.450 -3.438 14.693 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.702 -2.793 16.302 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.236 -3.311 15.833 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.534 -5.336 14.393 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.934 -3.948 13.453 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.816 -5.247 13.935 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.940 -5.612 16.741 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.209 -5.537 16.338 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.884 -4.441 17.566 1.00 0.00 H new ATOM 1004 N ALA A 67 -4.943 0.237 15.671 1.00 0.00 N ATOM 1005 CA ALA A 67 -5.285 1.345 16.568 1.00 0.00 C ATOM 1006 C ALA A 67 -6.059 0.861 17.824 1.00 0.00 C ATOM 1007 O ALA A 67 -6.565 -0.268 17.839 1.00 0.00 O ATOM 1008 CB ALA A 67 -6.081 2.378 15.752 1.00 0.00 C ATOM 0 H ALA A 67 -5.620 0.102 14.920 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.376 1.805 16.955 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.351 3.217 16.393 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.470 2.736 14.923 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.986 1.914 15.361 1.00 0.00 H new ATOM 1014 N PRO A 68 -6.189 1.689 18.881 1.00 0.00 N ATOM 1015 CA PRO A 68 -6.993 1.350 20.059 1.00 0.00 C ATOM 1016 C PRO A 68 -8.509 1.449 19.799 1.00 0.00 C ATOM 1017 O PRO A 68 -9.272 0.618 20.295 1.00 0.00 O ATOM 1018 CB PRO A 68 -6.531 2.317 21.153 1.00 0.00 C ATOM 1019 CG PRO A 68 -6.049 3.543 20.379 1.00 0.00 C ATOM 1020 CD PRO A 68 -5.481 2.947 19.092 1.00 0.00 C ATOM 0 HA PRO A 68 -6.843 0.310 20.348 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.344 2.568 21.834 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.732 1.886 21.756 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.865 4.236 20.175 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.292 4.097 20.934 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.630 3.624 18.251 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.408 2.780 19.181 1.00 0.00 H new ATOM 1028 N GLU A 69 -8.958 2.445 19.022 1.00 0.00 N ATOM 1029 CA GLU A 69 -10.373 2.636 18.653 1.00 0.00 C ATOM 1030 C GLU A 69 -10.752 1.951 17.325 1.00 0.00 C ATOM 1031 O GLU A 69 -11.776 1.268 17.254 1.00 0.00 O ATOM 1032 CB GLU A 69 -10.716 4.136 18.585 1.00 0.00 C ATOM 1033 CG GLU A 69 -10.757 4.789 19.975 1.00 0.00 C ATOM 1034 CD GLU A 69 -11.576 6.096 19.957 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -12.830 6.030 19.942 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -10.978 7.201 19.973 1.00 0.00 O ATOM 0 H GLU A 69 -8.341 3.153 18.625 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.960 2.158 19.437 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.978 4.648 17.968 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.683 4.264 18.098 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.193 4.094 20.693 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.741 4.998 20.311 1.00 0.00 H new ATOM 1043 N GLU A 70 -9.952 2.145 16.268 1.00 0.00 N ATOM 1044 CA GLU A 70 -10.152 1.584 14.912 1.00 0.00 C ATOM 1045 C GLU A 70 -9.902 0.060 14.839 1.00 0.00 C ATOM 1046 O GLU A 70 -8.786 -0.396 15.183 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.288 2.364 13.893 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.062 2.845 12.653 1.00 0.00 C ATOM 1049 CD GLU A 70 -10.451 1.735 11.646 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -9.639 0.817 11.368 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -11.563 1.813 11.063 1.00 0.00 O ATOM 1052 OXT GLU A 70 -10.838 -0.677 14.452 1.00 0.00 O ATOM 0 H GLU A 70 -9.112 2.720 16.330 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.204 1.710 14.654 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.848 3.228 14.391 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.464 1.728 13.570 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.971 3.347 12.984 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.458 3.589 12.134 1.00 0.00 H new TER 1059 GLU A 70