USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.453 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 4 MET CE :methyl -132:sc= -1.34 (180deg=-2.63!) USER MOD Single : A 18 THR OG1 : rot 87:sc= 0.0992 USER MOD Single : A 27 THR OG1 : rot 116:sc= 1.04 USER MOD Single : A 28 SER OG : rot 180:sc= -0.177 USER MOD Single : A 29 THR OG1 : rot 90:sc= 0.298 USER MOD Single : A 31 THR OG1 : rot 93:sc= 0.99 USER MOD Single : A 35 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.644 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : A 65 ASN : amide:sc= -3.46! C(o=-3.5!,f=-3.3!) USER MOD Single : A 68 THR OG1 : rot -150:sc= -0.197 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -11.4! C(o=-11!,f=-14!) USER MOD Single : A 82 ASN : amide:sc= -7.04! C(o=-7!,f=-14!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.156 0.117 11.893 1.00 0.00 N ATOM 2 CA GLY A 1 8.199 1.051 10.781 1.00 0.00 C ATOM 3 C GLY A 1 9.311 2.084 10.976 1.00 0.00 C ATOM 4 O GLY A 1 10.446 1.867 10.555 1.00 0.00 O ATOM 0 H1 GLY A 1 7.394 -0.573 11.737 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.066 -0.382 11.963 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.977 0.637 12.776 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.362 0.507 9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.238 1.558 10.690 1.00 0.00 H new ATOM 8 N SER A 2 8.945 3.186 11.614 1.00 0.00 N ATOM 9 CA SER A 2 9.897 4.253 11.870 1.00 0.00 C ATOM 10 C SER A 2 9.452 5.071 13.085 1.00 0.00 C ATOM 11 O SER A 2 8.257 5.260 13.306 1.00 0.00 O ATOM 12 CB SER A 2 10.050 5.160 10.647 1.00 0.00 C ATOM 13 OG SER A 2 10.959 4.619 9.693 1.00 0.00 O ATOM 0 H SER A 2 8.002 3.363 11.961 1.00 0.00 H new ATOM 0 HA SER A 2 10.868 3.803 12.078 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.076 5.305 10.179 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.400 6.142 10.965 1.00 0.00 H new ATOM 0 HG SER A 2 11.039 3.652 9.829 1.00 0.00 H new ATOM 19 N HIS A 3 10.438 5.534 13.840 1.00 0.00 N ATOM 20 CA HIS A 3 10.163 6.327 15.026 1.00 0.00 C ATOM 21 C HIS A 3 9.169 7.438 14.682 1.00 0.00 C ATOM 22 O HIS A 3 9.308 8.105 13.657 1.00 0.00 O ATOM 23 CB HIS A 3 11.461 6.860 15.635 1.00 0.00 C ATOM 24 CG HIS A 3 11.893 6.138 16.889 1.00 0.00 C ATOM 25 ND1 HIS A 3 11.932 4.758 16.983 1.00 0.00 N ATOM 26 CD2 HIS A 3 12.305 6.618 18.097 1.00 0.00 C ATOM 27 CE1 HIS A 3 12.349 4.433 18.198 1.00 0.00 C ATOM 28 NE2 HIS A 3 12.579 5.588 18.887 1.00 0.00 N ATOM 0 H HIS A 3 11.428 5.375 13.653 1.00 0.00 H new ATOM 0 HA HIS A 3 9.702 5.699 15.789 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.256 6.785 14.893 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.336 7.919 15.862 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.393 7.660 18.365 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.483 3.430 18.576 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.907 5.649 19.851 1.00 0.00 H new ATOM 36 N MET A 4 8.188 7.602 15.557 1.00 0.00 N ATOM 37 CA MET A 4 7.171 8.621 15.358 1.00 0.00 C ATOM 38 C MET A 4 7.746 10.021 15.583 1.00 0.00 C ATOM 39 O MET A 4 7.330 10.727 16.500 1.00 0.00 O ATOM 40 CB MET A 4 6.013 8.382 16.330 1.00 0.00 C ATOM 41 CG MET A 4 6.491 8.455 17.781 1.00 0.00 C ATOM 42 SD MET A 4 6.640 6.810 18.458 1.00 0.00 S ATOM 43 CE MET A 4 8.410 6.726 18.679 1.00 0.00 C ATOM 0 H MET A 4 8.076 7.047 16.405 1.00 0.00 H new ATOM 0 HA MET A 4 6.814 8.556 14.330 1.00 0.00 H new ATOM 0 HB2 MET A 4 5.234 9.125 16.162 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.569 7.405 16.139 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.453 8.966 17.831 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.788 9.039 18.375 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.784 5.788 18.269 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.881 7.562 18.162 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.647 6.777 19.742 1.00 0.00 H new ATOM 53 N LEU A 5 8.694 10.380 14.730 1.00 0.00 N ATOM 54 CA LEU A 5 9.331 11.683 14.824 1.00 0.00 C ATOM 55 C LEU A 5 8.279 12.776 14.622 1.00 0.00 C ATOM 56 O LEU A 5 7.138 12.632 15.060 1.00 0.00 O ATOM 57 CB LEU A 5 10.508 11.776 13.852 1.00 0.00 C ATOM 58 CG LEU A 5 10.161 11.664 12.366 1.00 0.00 C ATOM 59 CD1 LEU A 5 10.439 12.980 11.637 1.00 0.00 C ATOM 60 CD2 LEU A 5 10.891 10.485 11.719 1.00 0.00 C ATOM 0 H LEU A 5 9.037 9.792 13.971 1.00 0.00 H new ATOM 0 HA LEU A 5 9.756 11.828 15.817 1.00 0.00 H new ATOM 0 HB2 LEU A 5 11.015 12.727 14.016 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.220 10.989 14.099 1.00 0.00 H new ATOM 0 HG LEU A 5 9.092 11.467 12.279 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.184 12.873 10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.836 13.774 12.077 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.495 13.232 11.731 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.626 10.428 10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 5 11.967 10.626 11.816 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.600 9.560 12.216 1.00 0.00 H new ATOM 72 N ARG A 6 8.700 13.843 13.960 1.00 0.00 N ATOM 73 CA ARG A 6 7.808 14.959 13.695 1.00 0.00 C ATOM 74 C ARG A 6 7.050 14.733 12.385 1.00 0.00 C ATOM 75 O ARG A 6 6.529 15.678 11.794 1.00 0.00 O ATOM 76 CB ARG A 6 8.584 16.275 13.606 1.00 0.00 C ATOM 77 CG ARG A 6 9.271 16.416 12.247 1.00 0.00 C ATOM 78 CD ARG A 6 10.526 17.285 12.354 1.00 0.00 C ATOM 79 NE ARG A 6 10.771 17.980 11.071 1.00 0.00 N ATOM 80 CZ ARG A 6 10.201 19.154 10.724 1.00 0.00 C ATOM 81 NH1 ARG A 6 9.346 19.775 11.565 1.00 0.00 N ATOM 82 NH2 ARG A 6 10.492 19.685 9.552 1.00 0.00 N ATOM 0 H ARG A 6 9.647 13.959 13.599 1.00 0.00 H new ATOM 0 HA ARG A 6 7.101 15.022 14.522 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.905 17.113 13.763 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.329 16.316 14.400 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.538 15.430 11.867 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.579 16.857 11.530 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.406 18.014 13.155 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.386 16.667 12.612 1.00 0.00 H new ATOM 0 HE ARG A 6 11.411 17.545 10.407 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.127 19.357 12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.919 20.662 11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.139 19.209 8.923 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.070 20.571 9.275 1.00 0.00 H new ATOM 95 N ASP A 7 7.011 13.475 11.970 1.00 0.00 N ATOM 96 CA ASP A 7 6.325 13.114 10.741 1.00 0.00 C ATOM 97 C ASP A 7 4.866 12.779 11.057 1.00 0.00 C ATOM 98 O ASP A 7 4.092 12.453 10.158 1.00 0.00 O ATOM 99 CB ASP A 7 6.964 11.882 10.096 1.00 0.00 C ATOM 100 CG ASP A 7 7.682 12.145 8.771 1.00 0.00 C ATOM 101 OD1 ASP A 7 7.245 12.978 7.963 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.747 11.443 8.579 1.00 0.00 O ATOM 0 H ASP A 7 7.443 12.694 12.463 1.00 0.00 H new ATOM 0 HA ASP A 7 6.395 13.958 10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.677 11.451 10.799 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.189 11.134 9.930 1.00 0.00 H new ATOM 108 N ARG A 8 4.534 12.871 12.336 1.00 0.00 N ATOM 109 CA ARG A 8 3.181 12.583 12.781 1.00 0.00 C ATOM 110 C ARG A 8 2.314 13.840 12.694 1.00 0.00 C ATOM 111 O ARG A 8 1.178 13.784 12.226 1.00 0.00 O ATOM 112 CB ARG A 8 3.174 12.064 14.221 1.00 0.00 C ATOM 113 CG ARG A 8 2.223 10.875 14.370 1.00 0.00 C ATOM 114 CD ARG A 8 1.966 10.561 15.846 1.00 0.00 C ATOM 115 NE ARG A 8 0.604 10.009 16.016 1.00 0.00 N ATOM 116 CZ ARG A 8 -0.523 10.752 15.988 1.00 0.00 C ATOM 117 NH1 ARG A 8 -0.458 12.087 15.796 1.00 0.00 N ATOM 118 NH2 ARG A 8 -1.688 10.155 16.152 1.00 0.00 N ATOM 0 H ARG A 8 5.179 13.141 13.079 1.00 0.00 H new ATOM 0 HA ARG A 8 2.774 11.812 12.127 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.182 11.766 14.509 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.872 12.863 14.898 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.279 11.095 13.871 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.648 10.001 13.877 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.705 9.846 16.208 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.078 11.466 16.444 1.00 0.00 H new ATOM 0 HE ARG A 8 0.510 9.004 16.164 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.447 12.541 15.671 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.314 12.642 15.776 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.728 9.146 16.297 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.549 10.702 16.133 1.00 0.00 H new ATOM 131 N LEU A 9 2.883 14.945 13.153 1.00 0.00 N ATOM 132 CA LEU A 9 2.176 16.215 13.133 1.00 0.00 C ATOM 133 C LEU A 9 2.471 16.937 11.817 1.00 0.00 C ATOM 134 O LEU A 9 1.966 18.034 11.580 1.00 0.00 O ATOM 135 CB LEU A 9 2.519 17.038 14.376 1.00 0.00 C ATOM 136 CG LEU A 9 3.976 16.978 14.840 1.00 0.00 C ATOM 137 CD1 LEU A 9 4.252 15.689 15.615 1.00 0.00 C ATOM 138 CD2 LEU A 9 4.934 17.154 13.661 1.00 0.00 C ATOM 0 H LEU A 9 3.825 14.987 13.541 1.00 0.00 H new ATOM 0 HA LEU A 9 1.099 16.052 13.173 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.264 18.079 14.180 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.883 16.703 15.196 1.00 0.00 H new ATOM 0 HG LEU A 9 4.151 17.808 15.524 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.294 15.672 15.933 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.605 15.645 16.491 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.054 14.830 14.974 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.963 17.107 14.018 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.766 16.360 12.934 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.757 18.121 13.190 1.00 0.00 H new ATOM 150 N ALA A 10 3.286 16.293 10.995 1.00 0.00 N ATOM 151 CA ALA A 10 3.654 16.860 9.709 1.00 0.00 C ATOM 152 C ALA A 10 2.441 16.827 8.776 1.00 0.00 C ATOM 153 O ALA A 10 2.541 16.372 7.638 1.00 0.00 O ATOM 154 CB ALA A 10 4.850 16.096 9.136 1.00 0.00 C ATOM 0 H ALA A 10 3.702 15.383 11.195 1.00 0.00 H new ATOM 0 HA ALA A 10 3.956 17.901 9.822 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.125 16.522 8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.694 16.174 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.584 15.047 9.007 1.00 0.00 H new ATOM 160 N GLY A 11 1.324 17.316 9.294 1.00 0.00 N ATOM 161 CA GLY A 11 0.093 17.349 8.522 1.00 0.00 C ATOM 162 C GLY A 11 -0.172 15.997 7.855 1.00 0.00 C ATOM 163 O GLY A 11 -0.923 15.916 6.885 1.00 0.00 O ATOM 0 H GLY A 11 1.245 17.693 10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.742 17.607 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.157 18.127 7.762 1.00 0.00 H new ATOM 167 N LEU A 12 0.461 14.970 8.402 1.00 0.00 N ATOM 168 CA LEU A 12 0.303 13.626 7.873 1.00 0.00 C ATOM 169 C LEU A 12 0.238 13.688 6.345 1.00 0.00 C ATOM 170 O LEU A 12 -0.843 13.796 5.770 1.00 0.00 O ATOM 171 CB LEU A 12 -0.904 12.936 8.512 1.00 0.00 C ATOM 172 CG LEU A 12 -0.810 12.677 10.016 1.00 0.00 C ATOM 173 CD1 LEU A 12 0.549 12.079 10.385 1.00 0.00 C ATOM 174 CD2 LEU A 12 -1.112 13.948 10.812 1.00 0.00 C ATOM 0 H LEU A 12 1.084 15.041 9.206 1.00 0.00 H new ATOM 0 HA LEU A 12 1.166 13.012 8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.788 13.545 8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.061 11.982 8.008 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.569 11.942 10.284 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.590 11.904 11.460 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.686 11.134 9.859 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.341 12.772 10.100 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.038 13.736 11.879 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.394 14.723 10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.120 14.292 10.580 1.00 0.00 H new ATOM 186 N PRO A 13 1.442 13.617 5.716 1.00 0.00 N ATOM 187 CA PRO A 13 1.532 13.664 4.266 1.00 0.00 C ATOM 188 C PRO A 13 1.089 12.337 3.646 1.00 0.00 C ATOM 189 O PRO A 13 0.687 11.418 4.358 1.00 0.00 O ATOM 190 CB PRO A 13 2.985 14.001 3.974 1.00 0.00 C ATOM 191 CG PRO A 13 3.753 13.673 5.244 1.00 0.00 C ATOM 192 CD PRO A 13 2.743 13.489 6.365 1.00 0.00 C ATOM 0 HA PRO A 13 0.868 14.408 3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.359 13.420 3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.097 15.053 3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.344 12.767 5.110 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.450 14.475 5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.854 12.515 6.842 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.873 14.241 7.143 1.00 0.00 H new ATOM 200 N ARG A 14 1.178 12.280 2.325 1.00 0.00 N ATOM 201 CA ARG A 14 0.792 11.081 1.601 1.00 0.00 C ATOM 202 C ARG A 14 1.571 9.872 2.122 1.00 0.00 C ATOM 203 O ARG A 14 1.030 8.770 2.206 1.00 0.00 O ATOM 204 CB ARG A 14 1.049 11.237 0.100 1.00 0.00 C ATOM 205 CG ARG A 14 -0.074 10.597 -0.718 1.00 0.00 C ATOM 206 CD ARG A 14 -0.068 11.116 -2.157 1.00 0.00 C ATOM 207 NE ARG A 14 -0.680 12.462 -2.212 1.00 0.00 N ATOM 208 CZ ARG A 14 -2.010 12.692 -2.162 1.00 0.00 C ATOM 209 NH1 ARG A 14 -2.879 11.664 -2.055 1.00 0.00 N ATOM 210 NH2 ARG A 14 -2.447 13.936 -2.218 1.00 0.00 N ATOM 0 H ARG A 14 1.512 13.044 1.738 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.275 10.926 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.129 12.295 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.002 10.775 -0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.043 9.513 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.036 10.814 -0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.954 11.157 -2.533 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.618 10.431 -2.802 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.058 13.267 -2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.532 10.706 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.882 11.846 -2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.783 14.707 -2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.448 14.127 -2.181 1.00 0.00 H new ATOM 223 N ALA A 15 2.828 10.118 2.457 1.00 0.00 N ATOM 224 CA ALA A 15 3.687 9.063 2.968 1.00 0.00 C ATOM 225 C ALA A 15 3.042 8.441 4.207 1.00 0.00 C ATOM 226 O ALA A 15 2.602 7.293 4.173 1.00 0.00 O ATOM 227 CB ALA A 15 5.078 9.632 3.257 1.00 0.00 C ATOM 0 H ALA A 15 3.273 11.033 2.385 1.00 0.00 H new ATOM 0 HA ALA A 15 3.806 8.272 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.722 8.841 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.505 10.034 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.999 10.427 3.999 1.00 0.00 H new ATOM 233 N GLU A 16 3.005 9.227 5.274 1.00 0.00 N ATOM 234 CA GLU A 16 2.421 8.768 6.522 1.00 0.00 C ATOM 235 C GLU A 16 0.981 8.302 6.295 1.00 0.00 C ATOM 236 O GLU A 16 0.566 7.274 6.828 1.00 0.00 O ATOM 237 CB GLU A 16 2.481 9.861 7.591 1.00 0.00 C ATOM 238 CG GLU A 16 2.745 9.263 8.974 1.00 0.00 C ATOM 239 CD GLU A 16 4.023 8.421 8.972 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.000 7.258 9.400 1.00 0.00 O ATOM 241 OE2 GLU A 16 5.067 9.017 8.503 1.00 0.00 O ATOM 0 H GLU A 16 3.370 10.179 5.299 1.00 0.00 H new ATOM 0 HA GLU A 16 3.004 7.921 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.267 10.574 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.542 10.414 7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.833 10.063 9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.899 8.645 9.275 1.00 0.00 H new ATOM 249 N ARG A 17 0.259 9.080 5.502 1.00 0.00 N ATOM 250 CA ARG A 17 -1.125 8.760 5.197 1.00 0.00 C ATOM 251 C ARG A 17 -1.230 7.341 4.634 1.00 0.00 C ATOM 252 O ARG A 17 -1.972 6.513 5.162 1.00 0.00 O ATOM 253 CB ARG A 17 -1.709 9.747 4.185 1.00 0.00 C ATOM 254 CG ARG A 17 -3.148 9.376 3.824 1.00 0.00 C ATOM 255 CD ARG A 17 -4.101 9.686 4.981 1.00 0.00 C ATOM 256 NE ARG A 17 -4.173 11.148 5.199 1.00 0.00 N ATOM 257 CZ ARG A 17 -5.035 11.745 6.049 1.00 0.00 C ATOM 258 NH1 ARG A 17 -5.907 11.009 6.769 1.00 0.00 N ATOM 259 NH2 ARG A 17 -5.012 13.060 6.165 1.00 0.00 N ATOM 0 H ARG A 17 0.607 9.932 5.061 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.693 8.830 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.683 10.755 4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.095 9.756 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.457 9.927 2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.203 8.316 3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.094 9.293 4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.757 9.191 5.889 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.531 11.742 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.918 9.994 6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.555 11.468 7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.350 13.609 5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.657 13.527 6.803 1.00 0.00 H new ATOM 272 N THR A 18 -0.476 7.103 3.571 1.00 0.00 N ATOM 273 CA THR A 18 -0.476 5.799 2.931 1.00 0.00 C ATOM 274 C THR A 18 0.079 4.738 3.883 1.00 0.00 C ATOM 275 O THR A 18 -0.488 3.653 4.008 1.00 0.00 O ATOM 276 CB THR A 18 0.312 5.914 1.624 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.540 6.671 0.770 1.00 0.00 O ATOM 278 CG2 THR A 18 0.458 4.570 0.908 1.00 0.00 C ATOM 0 H THR A 18 0.139 7.791 3.137 1.00 0.00 H new ATOM 0 HA THR A 18 -1.489 5.477 2.690 1.00 0.00 H new ATOM 0 HB THR A 18 1.300 6.324 1.832 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.380 7.627 0.912 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.025 4.708 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.983 3.868 1.556 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.530 4.175 0.670 1.00 0.00 H new ATOM 286 N ALA A 19 1.180 5.088 4.532 1.00 0.00 N ATOM 287 CA ALA A 19 1.817 4.179 5.469 1.00 0.00 C ATOM 288 C ALA A 19 0.848 3.871 6.613 1.00 0.00 C ATOM 289 O ALA A 19 1.035 2.900 7.345 1.00 0.00 O ATOM 290 CB ALA A 19 3.128 4.793 5.965 1.00 0.00 C ATOM 0 H ALA A 19 1.647 5.989 4.427 1.00 0.00 H new ATOM 0 HA ALA A 19 2.063 3.235 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.606 4.111 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.792 4.966 5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.921 5.740 6.462 1.00 0.00 H new ATOM 296 N GLU A 20 -0.165 4.716 6.731 1.00 0.00 N ATOM 297 CA GLU A 20 -1.163 4.547 7.773 1.00 0.00 C ATOM 298 C GLU A 20 -2.303 3.655 7.277 1.00 0.00 C ATOM 299 O GLU A 20 -2.735 2.744 7.981 1.00 0.00 O ATOM 300 CB GLU A 20 -1.694 5.900 8.250 1.00 0.00 C ATOM 301 CG GLU A 20 -2.875 5.721 9.206 1.00 0.00 C ATOM 302 CD GLU A 20 -2.735 6.632 10.427 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.614 7.029 10.780 1.00 0.00 O ATOM 304 OE2 GLU A 20 -3.844 6.927 11.016 1.00 0.00 O ATOM 0 H GLU A 20 -0.316 5.520 6.122 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.690 4.059 8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.898 6.451 8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.004 6.496 7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.806 5.945 8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.932 4.681 9.528 1.00 0.00 H new ATOM 312 N LEU A 21 -2.757 3.949 6.067 1.00 0.00 N ATOM 313 CA LEU A 21 -3.839 3.186 5.468 1.00 0.00 C ATOM 314 C LEU A 21 -3.459 1.704 5.445 1.00 0.00 C ATOM 315 O LEU A 21 -4.187 0.864 5.972 1.00 0.00 O ATOM 316 CB LEU A 21 -4.195 3.751 4.091 1.00 0.00 C ATOM 317 CG LEU A 21 -5.443 4.633 4.031 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.716 3.788 4.114 1.00 0.00 C ATOM 319 CD2 LEU A 21 -5.402 5.716 5.112 1.00 0.00 C ATOM 0 H LEU A 21 -2.395 4.705 5.486 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.745 3.275 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.347 4.331 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.330 2.917 3.402 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.456 5.141 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.589 4.439 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.743 3.088 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.725 3.234 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.301 6.329 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.353 5.247 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.523 6.344 4.965 1.00 0.00 H new ATOM 331 N VAL A 22 -2.319 1.427 4.829 1.00 0.00 N ATOM 332 CA VAL A 22 -1.834 0.061 4.730 1.00 0.00 C ATOM 333 C VAL A 22 -1.820 -0.572 6.123 1.00 0.00 C ATOM 334 O VAL A 22 -2.590 -1.491 6.398 1.00 0.00 O ATOM 335 CB VAL A 22 -0.463 0.041 4.051 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.131 -1.370 4.057 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.549 0.593 2.627 1.00 0.00 C ATOM 0 H VAL A 22 -1.717 2.126 4.393 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.499 -0.537 4.107 1.00 0.00 H new ATOM 0 HB VAL A 22 0.203 0.688 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.105 -1.357 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.245 -1.712 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.534 -2.047 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.439 0.568 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.238 -0.016 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.909 1.621 2.657 1.00 0.00 H new ATOM 347 N ARG A 23 -0.936 -0.056 6.964 1.00 0.00 N ATOM 348 CA ARG A 23 -0.812 -0.560 8.321 1.00 0.00 C ATOM 349 C ARG A 23 -2.193 -0.889 8.894 1.00 0.00 C ATOM 350 O ARG A 23 -2.369 -1.917 9.545 1.00 0.00 O ATOM 351 CB ARG A 23 -0.123 0.461 9.227 1.00 0.00 C ATOM 352 CG ARG A 23 1.081 -0.160 9.938 1.00 0.00 C ATOM 353 CD ARG A 23 0.944 -0.038 11.457 1.00 0.00 C ATOM 354 NE ARG A 23 2.283 -0.053 12.089 1.00 0.00 N ATOM 355 CZ ARG A 23 2.493 0.030 13.420 1.00 0.00 C ATOM 356 NH1 ARG A 23 1.451 0.133 14.272 1.00 0.00 N ATOM 357 NH2 ARG A 23 3.732 0.007 13.875 1.00 0.00 N ATOM 0 H ARG A 23 -0.299 0.706 6.732 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.205 -1.464 8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.202 1.317 8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.833 0.835 9.965 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.170 -1.210 9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.996 0.334 9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.423 0.886 11.710 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.341 -0.860 11.843 1.00 0.00 H new ATOM 0 HE ARG A 23 3.098 -0.131 11.480 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.497 0.149 13.911 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.618 0.195 15.276 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.513 -0.072 13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.908 0.069 14.878 1.00 0.00 H new ATOM 370 N LEU A 24 -3.136 0.003 8.629 1.00 0.00 N ATOM 371 CA LEU A 24 -4.495 -0.180 9.109 1.00 0.00 C ATOM 372 C LEU A 24 -5.155 -1.323 8.336 1.00 0.00 C ATOM 373 O LEU A 24 -5.763 -2.210 8.933 1.00 0.00 O ATOM 374 CB LEU A 24 -5.270 1.138 9.039 1.00 0.00 C ATOM 375 CG LEU A 24 -6.732 1.081 9.487 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.170 2.414 10.097 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.642 0.651 8.335 1.00 0.00 C ATOM 0 H LEU A 24 -2.986 0.855 8.088 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.492 -0.466 10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.751 1.875 9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.239 1.500 8.011 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.822 0.325 10.267 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.213 2.347 10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.548 2.640 10.963 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.062 3.206 9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.675 0.619 8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.555 1.366 7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.345 -0.338 7.986 1.00 0.00 H new ATOM 389 N VAL A 25 -5.013 -1.265 7.020 1.00 0.00 N ATOM 390 CA VAL A 25 -5.588 -2.285 6.160 1.00 0.00 C ATOM 391 C VAL A 25 -5.170 -3.667 6.665 1.00 0.00 C ATOM 392 O VAL A 25 -6.004 -4.434 7.147 1.00 0.00 O ATOM 393 CB VAL A 25 -5.182 -2.033 4.706 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.337 -3.302 3.866 1.00 0.00 C ATOM 395 CG2 VAL A 25 -5.984 -0.876 4.106 1.00 0.00 C ATOM 0 H VAL A 25 -4.508 -0.528 6.528 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.677 -2.242 6.193 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.129 -1.751 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.042 -3.096 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.703 -4.089 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.377 -3.627 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.676 -0.718 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.047 -1.116 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.801 0.031 4.682 1.00 0.00 H new ATOM 405 N ARG A 26 -3.881 -3.944 6.539 1.00 0.00 N ATOM 406 CA ARG A 26 -3.343 -5.221 6.977 1.00 0.00 C ATOM 407 C ARG A 26 -3.897 -5.585 8.356 1.00 0.00 C ATOM 408 O ARG A 26 -4.680 -6.525 8.486 1.00 0.00 O ATOM 409 CB ARG A 26 -1.815 -5.181 7.043 1.00 0.00 C ATOM 410 CG ARG A 26 -1.199 -6.218 6.102 1.00 0.00 C ATOM 411 CD ARG A 26 -1.177 -5.706 4.660 1.00 0.00 C ATOM 412 NE ARG A 26 -1.062 -6.843 3.720 1.00 0.00 N ATOM 413 CZ ARG A 26 -2.109 -7.576 3.288 1.00 0.00 C ATOM 414 NH1 ARG A 26 -3.361 -7.297 3.708 1.00 0.00 N ATOM 415 NH2 ARG A 26 -1.891 -8.571 2.448 1.00 0.00 N ATOM 0 H ARG A 26 -3.193 -3.306 6.140 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.644 -5.975 6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.462 -4.185 6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.486 -5.371 8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.184 -6.450 6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.769 -7.145 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.086 -5.142 4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.339 -5.023 4.521 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.133 -7.088 3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.521 -6.527 4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.147 -7.856 3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.942 -8.776 2.135 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.672 -9.135 2.112 1.00 0.00 H new ATOM 428 N THR A 27 -3.468 -4.822 9.351 1.00 0.00 N ATOM 429 CA THR A 27 -3.912 -5.053 10.715 1.00 0.00 C ATOM 430 C THR A 27 -5.395 -5.428 10.738 1.00 0.00 C ATOM 431 O THR A 27 -5.782 -6.406 11.375 1.00 0.00 O ATOM 432 CB THR A 27 -3.588 -3.802 11.535 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.207 -3.565 11.277 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.647 -4.059 13.042 1.00 0.00 C ATOM 0 H THR A 27 -2.818 -4.044 9.240 1.00 0.00 H new ATOM 0 HA THR A 27 -3.390 -5.898 11.163 1.00 0.00 H new ATOM 0 HB THR A 27 -4.286 -3.007 11.275 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.103 -2.709 10.811 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.409 -3.140 13.577 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.649 -4.390 13.316 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.925 -4.831 13.308 1.00 0.00 H new ATOM 442 N SER A 28 -6.185 -4.630 10.035 1.00 0.00 N ATOM 443 CA SER A 28 -7.617 -4.865 9.966 1.00 0.00 C ATOM 444 C SER A 28 -7.895 -6.209 9.289 1.00 0.00 C ATOM 445 O SER A 28 -8.543 -7.078 9.870 1.00 0.00 O ATOM 446 CB SER A 28 -8.326 -3.736 9.215 1.00 0.00 C ATOM 447 OG SER A 28 -9.736 -3.935 9.159 1.00 0.00 O ATOM 0 H SER A 28 -5.860 -3.819 9.508 1.00 0.00 H new ATOM 0 HA SER A 28 -8.008 -4.890 10.983 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.113 -2.786 9.704 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.929 -3.669 8.202 1.00 0.00 H new ATOM 0 HG SER A 28 -10.152 -3.192 8.673 1.00 0.00 H new ATOM 453 N THR A 29 -7.390 -6.337 8.071 1.00 0.00 N ATOM 454 CA THR A 29 -7.576 -7.560 7.308 1.00 0.00 C ATOM 455 C THR A 29 -7.122 -8.771 8.125 1.00 0.00 C ATOM 456 O THR A 29 -7.652 -9.869 7.962 1.00 0.00 O ATOM 457 CB THR A 29 -6.830 -7.408 5.981 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.105 -6.069 5.580 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.437 -8.263 4.867 1.00 0.00 C ATOM 0 H THR A 29 -6.852 -5.614 7.593 1.00 0.00 H new ATOM 0 HA THR A 29 -8.629 -7.732 7.087 1.00 0.00 H new ATOM 0 HB THR A 29 -5.784 -7.682 6.119 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.424 -5.470 5.951 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.870 -8.118 3.947 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.400 -9.314 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.473 -7.967 4.705 1.00 0.00 H new ATOM 467 N ALA A 30 -6.145 -8.531 8.988 1.00 0.00 N ATOM 468 CA ALA A 30 -5.614 -9.588 9.831 1.00 0.00 C ATOM 469 C ALA A 30 -6.460 -9.696 11.101 1.00 0.00 C ATOM 470 O ALA A 30 -6.579 -10.774 11.682 1.00 0.00 O ATOM 471 CB ALA A 30 -4.140 -9.308 10.134 1.00 0.00 C ATOM 0 H ALA A 30 -5.708 -7.619 9.121 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.665 -10.549 9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.742 -10.101 10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.577 -9.271 9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.050 -8.352 10.650 1.00 0.00 H new ATOM 477 N THR A 31 -7.025 -8.564 11.495 1.00 0.00 N ATOM 478 CA THR A 31 -7.857 -8.518 12.685 1.00 0.00 C ATOM 479 C THR A 31 -9.209 -9.182 12.418 1.00 0.00 C ATOM 480 O THR A 31 -9.632 -10.061 13.167 1.00 0.00 O ATOM 481 CB THR A 31 -7.974 -7.057 13.123 1.00 0.00 C ATOM 482 OG1 THR A 31 -6.671 -6.731 13.599 1.00 0.00 O ATOM 483 CG2 THR A 31 -8.872 -6.884 14.350 1.00 0.00 C ATOM 0 H THR A 31 -6.923 -7.672 11.011 1.00 0.00 H new ATOM 0 HA THR A 31 -7.409 -9.083 13.502 1.00 0.00 H new ATOM 0 HB THR A 31 -8.366 -6.462 12.298 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.147 -6.333 12.872 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.921 -5.829 14.619 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.874 -7.247 14.122 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.461 -7.453 15.184 1.00 0.00 H new ATOM 491 N VAL A 32 -9.849 -8.737 11.347 1.00 0.00 N ATOM 492 CA VAL A 32 -11.145 -9.277 10.971 1.00 0.00 C ATOM 493 C VAL A 32 -11.076 -10.806 10.978 1.00 0.00 C ATOM 494 O VAL A 32 -11.912 -11.465 11.594 1.00 0.00 O ATOM 495 CB VAL A 32 -11.578 -8.705 9.620 1.00 0.00 C ATOM 496 CG1 VAL A 32 -10.525 -8.979 8.545 1.00 0.00 C ATOM 497 CG2 VAL A 32 -12.943 -9.257 9.203 1.00 0.00 C ATOM 0 H VAL A 32 -9.494 -8.008 10.727 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.906 -8.982 11.693 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.672 -7.625 9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.858 -8.562 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.581 -8.516 8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.384 -10.055 8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.227 -8.834 8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.887 -10.342 9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.688 -8.988 9.951 1.00 0.00 H new ATOM 507 N LEU A 33 -10.073 -11.325 10.286 1.00 0.00 N ATOM 508 CA LEU A 33 -9.885 -12.764 10.206 1.00 0.00 C ATOM 509 C LEU A 33 -9.834 -13.347 11.619 1.00 0.00 C ATOM 510 O LEU A 33 -10.162 -14.515 11.825 1.00 0.00 O ATOM 511 CB LEU A 33 -8.655 -13.096 9.358 1.00 0.00 C ATOM 512 CG LEU A 33 -8.735 -12.712 7.879 1.00 0.00 C ATOM 513 CD1 LEU A 33 -7.350 -12.373 7.325 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.426 -13.808 7.065 1.00 0.00 C ATOM 0 H LEU A 33 -9.382 -10.775 9.776 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.729 -13.232 9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.791 -12.596 9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.471 -14.168 9.425 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.345 -11.813 7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.435 -12.104 6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.931 -11.535 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.696 -13.239 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.470 -13.510 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.863 -14.737 7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.438 -13.958 7.442 1.00 0.00 H new ATOM 526 N GLY A 34 -9.420 -12.508 12.557 1.00 0.00 N ATOM 527 CA GLY A 34 -9.322 -12.925 13.945 1.00 0.00 C ATOM 528 C GLY A 34 -7.882 -13.295 14.306 1.00 0.00 C ATOM 529 O GLY A 34 -7.634 -14.354 14.882 1.00 0.00 O ATOM 0 H GLY A 34 -9.148 -11.540 12.383 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.669 -12.122 14.595 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.975 -13.780 14.119 1.00 0.00 H new ATOM 533 N HIS A 35 -6.969 -12.403 13.952 1.00 0.00 N ATOM 534 CA HIS A 35 -5.560 -12.622 14.231 1.00 0.00 C ATOM 535 C HIS A 35 -4.873 -11.280 14.493 1.00 0.00 C ATOM 536 O HIS A 35 -5.445 -10.224 14.226 1.00 0.00 O ATOM 537 CB HIS A 35 -4.899 -13.416 13.102 1.00 0.00 C ATOM 538 CG HIS A 35 -4.903 -14.910 13.318 1.00 0.00 C ATOM 539 ND1 HIS A 35 -4.509 -15.496 14.509 1.00 0.00 N ATOM 540 CD2 HIS A 35 -5.256 -15.930 12.485 1.00 0.00 C ATOM 541 CE1 HIS A 35 -4.624 -16.810 14.386 1.00 0.00 C ATOM 542 NE2 HIS A 35 -5.086 -17.078 13.131 1.00 0.00 N ATOM 0 H HIS A 35 -7.178 -11.526 13.474 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.454 -13.226 15.132 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.412 -13.193 12.166 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.869 -13.078 12.989 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.613 -15.823 11.471 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.392 -17.541 15.146 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.270 -18.007 12.751 1.00 0.00 H new ATOM 550 N ASP A 36 -3.657 -11.365 15.011 1.00 0.00 N ATOM 551 CA ASP A 36 -2.887 -10.170 15.312 1.00 0.00 C ATOM 552 C ASP A 36 -1.408 -10.437 15.025 1.00 0.00 C ATOM 553 O ASP A 36 -0.546 -10.123 15.845 1.00 0.00 O ATOM 554 CB ASP A 36 -3.020 -9.785 16.787 1.00 0.00 C ATOM 555 CG ASP A 36 -2.823 -8.298 17.087 1.00 0.00 C ATOM 556 OD1 ASP A 36 -1.890 -7.661 16.576 1.00 0.00 O ATOM 557 OD2 ASP A 36 -3.689 -7.785 17.895 1.00 0.00 O ATOM 0 H ASP A 36 -3.186 -12.243 15.230 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.268 -9.358 14.692 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.008 -10.083 17.137 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.292 -10.356 17.363 1.00 0.00 H new ATOM 563 N ASP A 37 -1.159 -11.013 13.858 1.00 0.00 N ATOM 564 CA ASP A 37 0.201 -11.325 13.453 1.00 0.00 C ATOM 565 C ASP A 37 0.484 -10.683 12.093 1.00 0.00 C ATOM 566 O ASP A 37 0.418 -11.351 11.062 1.00 0.00 O ATOM 567 CB ASP A 37 0.402 -12.835 13.314 1.00 0.00 C ATOM 568 CG ASP A 37 -0.396 -13.687 14.303 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.042 -13.927 15.438 1.00 0.00 O ATOM 570 OD2 ASP A 37 -1.529 -14.118 13.861 1.00 0.00 O ATOM 0 H ASP A 37 -1.876 -11.272 13.180 1.00 0.00 H new ATOM 0 HA ASP A 37 0.877 -10.940 14.217 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.130 -13.131 12.301 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.462 -13.058 13.438 1.00 0.00 H new ATOM 576 N PRO A 38 0.800 -9.361 12.136 1.00 0.00 N ATOM 577 CA PRO A 38 1.092 -8.622 10.919 1.00 0.00 C ATOM 578 C PRO A 38 2.483 -8.973 10.386 1.00 0.00 C ATOM 579 O PRO A 38 2.779 -8.739 9.215 1.00 0.00 O ATOM 580 CB PRO A 38 0.957 -7.158 11.306 1.00 0.00 C ATOM 581 CG PRO A 38 1.051 -7.118 12.823 1.00 0.00 C ATOM 582 CD PRO A 38 0.887 -8.538 13.338 1.00 0.00 C ATOM 0 HA PRO A 38 0.413 -8.869 10.103 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.745 -6.559 10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.007 -6.749 10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.011 -6.707 13.135 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.278 -6.470 13.236 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.732 -8.834 13.960 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.009 -8.636 13.951 1.00 0.00 H new ATOM 590 N LYS A 39 3.298 -9.528 11.270 1.00 0.00 N ATOM 591 CA LYS A 39 4.650 -9.914 10.902 1.00 0.00 C ATOM 592 C LYS A 39 4.602 -11.199 10.073 1.00 0.00 C ATOM 593 O LYS A 39 5.632 -11.674 9.598 1.00 0.00 O ATOM 594 CB LYS A 39 5.535 -10.018 12.146 1.00 0.00 C ATOM 595 CG LYS A 39 6.415 -8.775 12.298 1.00 0.00 C ATOM 596 CD LYS A 39 6.380 -8.251 13.735 1.00 0.00 C ATOM 597 CE LYS A 39 7.492 -8.882 14.576 1.00 0.00 C ATOM 598 NZ LYS A 39 8.167 -7.854 15.398 1.00 0.00 N ATOM 0 H LYS A 39 3.049 -9.720 12.240 1.00 0.00 H new ATOM 0 HA LYS A 39 5.107 -9.148 10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.911 -10.137 13.032 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.163 -10.906 12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.441 -9.015 12.020 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.073 -7.997 11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.491 -7.167 13.733 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.411 -8.471 14.183 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.074 -9.655 15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.217 -9.369 13.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.919 -8.299 15.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.583 -7.131 14.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.475 -7.408 16.034 1.00 0.00 H new ATOM 611 N ALA A 40 3.395 -11.725 9.925 1.00 0.00 N ATOM 612 CA ALA A 40 3.199 -12.945 9.161 1.00 0.00 C ATOM 613 C ALA A 40 2.283 -12.655 7.970 1.00 0.00 C ATOM 614 O ALA A 40 1.441 -13.479 7.616 1.00 0.00 O ATOM 615 CB ALA A 40 2.638 -14.035 10.076 1.00 0.00 C ATOM 0 H ALA A 40 2.543 -11.328 10.321 1.00 0.00 H new ATOM 0 HA ALA A 40 4.148 -13.307 8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.491 -14.951 9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.339 -14.224 10.889 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.684 -13.708 10.489 1.00 0.00 H new ATOM 621 N VAL A 41 2.479 -11.482 7.386 1.00 0.00 N ATOM 622 CA VAL A 41 1.681 -11.074 6.242 1.00 0.00 C ATOM 623 C VAL A 41 2.451 -10.024 5.438 1.00 0.00 C ATOM 624 O VAL A 41 3.042 -9.109 6.010 1.00 0.00 O ATOM 625 CB VAL A 41 0.310 -10.581 6.710 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.470 -9.954 5.553 1.00 0.00 C ATOM 627 CG2 VAL A 41 -0.487 -11.715 7.358 1.00 0.00 C ATOM 0 H VAL A 41 3.178 -10.801 7.683 1.00 0.00 H new ATOM 0 HA VAL A 41 1.499 -11.921 5.581 1.00 0.00 H new ATOM 0 HB VAL A 41 0.469 -9.810 7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.441 -9.612 5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.089 -9.107 5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.615 -10.696 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.457 -11.339 7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.632 -12.517 6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.060 -12.098 8.220 1.00 0.00 H new ATOM 637 N ARG A 42 2.419 -10.191 4.124 1.00 0.00 N ATOM 638 CA ARG A 42 3.106 -9.269 3.236 1.00 0.00 C ATOM 639 C ARG A 42 2.138 -8.198 2.730 1.00 0.00 C ATOM 640 O ARG A 42 0.925 -8.331 2.883 1.00 0.00 O ATOM 641 CB ARG A 42 3.711 -10.006 2.039 1.00 0.00 C ATOM 642 CG ARG A 42 5.188 -10.323 2.280 1.00 0.00 C ATOM 643 CD ARG A 42 5.355 -11.705 2.915 1.00 0.00 C ATOM 644 NE ARG A 42 5.566 -12.724 1.862 1.00 0.00 N ATOM 645 CZ ARG A 42 5.888 -14.012 2.108 1.00 0.00 C ATOM 646 NH1 ARG A 42 6.038 -14.450 3.376 1.00 0.00 N ATOM 647 NH2 ARG A 42 6.052 -14.836 1.090 1.00 0.00 N ATOM 0 H ARG A 42 1.928 -10.951 3.653 1.00 0.00 H new ATOM 0 HA ARG A 42 3.909 -8.799 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.161 -10.930 1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.608 -9.396 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.731 -10.285 1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.625 -9.565 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.202 -11.699 3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.471 -11.954 3.502 1.00 0.00 H new ATOM 0 HE ARG A 42 5.462 -12.435 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.908 -13.806 4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.281 -15.425 3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.935 -14.497 0.135 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.295 -15.812 1.258 1.00 0.00 H new ATOM 660 N ALA A 43 2.711 -7.160 2.138 1.00 0.00 N ATOM 661 CA ALA A 43 1.913 -6.067 1.609 1.00 0.00 C ATOM 662 C ALA A 43 1.493 -6.395 0.175 1.00 0.00 C ATOM 663 O ALA A 43 0.544 -5.811 -0.347 1.00 0.00 O ATOM 664 CB ALA A 43 2.710 -4.764 1.699 1.00 0.00 C ATOM 0 H ALA A 43 3.718 -7.053 2.013 1.00 0.00 H new ATOM 0 HA ALA A 43 1.004 -5.936 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.112 -3.944 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.959 -4.561 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.628 -4.858 1.118 1.00 0.00 H new ATOM 670 N THR A 44 2.220 -7.328 -0.422 1.00 0.00 N ATOM 671 CA THR A 44 1.934 -7.741 -1.786 1.00 0.00 C ATOM 672 C THR A 44 1.408 -9.177 -1.809 1.00 0.00 C ATOM 673 O THR A 44 1.645 -9.914 -2.765 1.00 0.00 O ATOM 674 CB THR A 44 3.205 -7.547 -2.615 1.00 0.00 C ATOM 675 OG1 THR A 44 4.262 -7.849 -1.707 1.00 0.00 O ATOM 676 CG2 THR A 44 3.443 -6.082 -2.988 1.00 0.00 C ATOM 0 H THR A 44 3.007 -7.810 0.014 1.00 0.00 H new ATOM 0 HA THR A 44 1.145 -7.132 -2.226 1.00 0.00 H new ATOM 0 HB THR A 44 3.141 -8.147 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.124 -7.750 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.357 -6.000 -3.576 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.601 -5.714 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.541 -5.487 -2.080 1.00 0.00 H new ATOM 684 N THR A 45 0.703 -9.533 -0.745 1.00 0.00 N ATOM 685 CA THR A 45 0.141 -10.868 -0.631 1.00 0.00 C ATOM 686 C THR A 45 -1.298 -10.887 -1.150 1.00 0.00 C ATOM 687 O THR A 45 -1.948 -9.845 -1.224 1.00 0.00 O ATOM 688 CB THR A 45 0.267 -11.311 0.828 1.00 0.00 C ATOM 689 OG1 THR A 45 0.872 -12.599 0.749 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.092 -11.577 1.479 1.00 0.00 C ATOM 0 H THR A 45 0.508 -8.920 0.046 1.00 0.00 H new ATOM 0 HA THR A 45 0.686 -11.581 -1.250 1.00 0.00 H new ATOM 0 HB THR A 45 0.797 -10.546 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.992 -12.960 1.652 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.945 -11.888 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.691 -10.667 1.456 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.609 -12.366 0.933 1.00 0.00 H new ATOM 698 N PRO A 46 -1.765 -12.114 -1.504 1.00 0.00 N ATOM 699 CA PRO A 46 -3.115 -12.282 -2.013 1.00 0.00 C ATOM 700 C PRO A 46 -4.144 -12.178 -0.886 1.00 0.00 C ATOM 701 O PRO A 46 -3.976 -12.785 0.171 1.00 0.00 O ATOM 702 CB PRO A 46 -3.113 -13.642 -2.691 1.00 0.00 C ATOM 703 CG PRO A 46 -1.907 -14.383 -2.137 1.00 0.00 C ATOM 704 CD PRO A 46 -1.023 -13.369 -1.429 1.00 0.00 C ATOM 0 HA PRO A 46 -3.399 -11.500 -2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.035 -14.184 -2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.044 -13.538 -3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.223 -15.163 -1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.358 -14.873 -2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.838 -13.659 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.051 -13.284 -1.915 1.00 0.00 H new ATOM 712 N PHE A 47 -5.187 -11.403 -1.148 1.00 0.00 N ATOM 713 CA PHE A 47 -6.242 -11.212 -0.169 1.00 0.00 C ATOM 714 C PHE A 47 -7.072 -12.486 0.000 1.00 0.00 C ATOM 715 O PHE A 47 -7.349 -12.906 1.123 1.00 0.00 O ATOM 716 CB PHE A 47 -7.146 -10.096 -0.698 1.00 0.00 C ATOM 717 CG PHE A 47 -8.152 -10.558 -1.754 1.00 0.00 C ATOM 718 CD1 PHE A 47 -9.364 -11.044 -1.372 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.835 -10.483 -3.074 1.00 0.00 C ATOM 720 CE1 PHE A 47 -10.297 -11.473 -2.353 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.768 -10.912 -4.055 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.980 -11.398 -3.673 1.00 0.00 C ATOM 0 H PHE A 47 -5.323 -10.900 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.809 -10.962 0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.689 -9.655 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.523 -9.309 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.616 -11.103 -0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.873 -10.097 -3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.259 -11.859 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.516 -10.853 -5.103 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.690 -11.724 -4.418 1.00 0.00 H new ATOM 732 N LYS A 48 -7.444 -13.066 -1.131 1.00 0.00 N ATOM 733 CA LYS A 48 -8.236 -14.284 -1.123 1.00 0.00 C ATOM 734 C LYS A 48 -7.500 -15.360 -0.321 1.00 0.00 C ATOM 735 O LYS A 48 -8.105 -16.341 0.110 1.00 0.00 O ATOM 736 CB LYS A 48 -8.580 -14.710 -2.551 1.00 0.00 C ATOM 737 CG LYS A 48 -10.095 -14.786 -2.751 1.00 0.00 C ATOM 738 CD LYS A 48 -10.443 -15.558 -4.025 1.00 0.00 C ATOM 739 CE LYS A 48 -11.198 -14.669 -5.016 1.00 0.00 C ATOM 740 NZ LYS A 48 -10.279 -14.155 -6.056 1.00 0.00 N ATOM 0 H LYS A 48 -7.211 -12.715 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.192 -14.113 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.151 -14.001 -3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.133 -15.681 -2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.555 -15.272 -1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.509 -13.779 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.530 -15.932 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.052 -16.427 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.003 -15.237 -5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.660 -13.836 -4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.808 -13.554 -6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.525 -13.596 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.858 -14.953 -6.572 1.00 0.00 H new ATOM 753 N GLU A 49 -6.205 -15.140 -0.146 1.00 0.00 N ATOM 754 CA GLU A 49 -5.380 -16.079 0.596 1.00 0.00 C ATOM 755 C GLU A 49 -5.600 -15.904 2.100 1.00 0.00 C ATOM 756 O GLU A 49 -5.589 -16.879 2.850 1.00 0.00 O ATOM 757 CB GLU A 49 -3.903 -15.914 0.235 1.00 0.00 C ATOM 758 CG GLU A 49 -3.014 -16.096 1.467 1.00 0.00 C ATOM 759 CD GLU A 49 -3.179 -17.497 2.060 1.00 0.00 C ATOM 760 OE1 GLU A 49 -3.281 -17.642 3.288 1.00 0.00 O ATOM 761 OE2 GLU A 49 -3.201 -18.455 1.197 1.00 0.00 O ATOM 0 H GLU A 49 -5.707 -14.326 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.677 -17.091 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.628 -16.643 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.738 -14.926 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.971 -15.933 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.268 -15.347 2.217 1.00 0.00 H new ATOM 769 N LEU A 50 -5.794 -14.655 2.497 1.00 0.00 N ATOM 770 CA LEU A 50 -6.016 -14.340 3.898 1.00 0.00 C ATOM 771 C LEU A 50 -7.212 -15.144 4.413 1.00 0.00 C ATOM 772 O LEU A 50 -7.233 -15.558 5.571 1.00 0.00 O ATOM 773 CB LEU A 50 -6.161 -12.830 4.091 1.00 0.00 C ATOM 774 CG LEU A 50 -4.977 -11.978 3.628 1.00 0.00 C ATOM 775 CD1 LEU A 50 -5.418 -10.544 3.325 1.00 0.00 C ATOM 776 CD2 LEU A 50 -3.837 -12.023 4.647 1.00 0.00 C ATOM 0 H LEU A 50 -5.802 -13.849 1.872 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.153 -14.633 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.052 -12.499 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.332 -12.634 5.149 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.595 -12.401 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.558 -9.960 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.171 -10.554 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.840 -10.096 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.008 -11.409 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.190 -11.640 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.499 -13.052 4.770 1.00 0.00 H new ATOM 788 N GLY A 51 -8.178 -15.339 3.528 1.00 0.00 N ATOM 789 CA GLY A 51 -9.374 -16.086 3.879 1.00 0.00 C ATOM 790 C GLY A 51 -10.626 -15.218 3.728 1.00 0.00 C ATOM 791 O GLY A 51 -11.558 -15.323 4.524 1.00 0.00 O ATOM 0 H GLY A 51 -8.157 -14.993 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.458 -16.966 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.296 -16.443 4.906 1.00 0.00 H new ATOM 795 N PHE A 52 -10.606 -14.381 2.701 1.00 0.00 N ATOM 796 CA PHE A 52 -11.728 -13.496 2.436 1.00 0.00 C ATOM 797 C PHE A 52 -12.653 -14.089 1.372 1.00 0.00 C ATOM 798 O PHE A 52 -12.215 -14.869 0.527 1.00 0.00 O ATOM 799 CB PHE A 52 -11.146 -12.181 1.913 1.00 0.00 C ATOM 800 CG PHE A 52 -10.919 -11.126 2.998 1.00 0.00 C ATOM 801 CD1 PHE A 52 -9.928 -11.295 3.914 1.00 0.00 C ATOM 802 CD2 PHE A 52 -11.710 -10.021 3.047 1.00 0.00 C ATOM 803 CE1 PHE A 52 -9.718 -10.316 4.921 1.00 0.00 C ATOM 804 CE2 PHE A 52 -11.500 -9.042 4.055 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.508 -9.210 4.970 1.00 0.00 C ATOM 0 H PHE A 52 -9.831 -14.297 2.043 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.310 -13.350 3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.198 -12.387 1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.818 -11.773 1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.301 -12.173 3.876 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.497 -9.888 2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.931 -10.450 5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.128 -8.164 4.095 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.348 -8.465 5.735 1.00 0.00 H new ATOM 815 N ASP A 53 -13.917 -13.696 1.447 1.00 0.00 N ATOM 816 CA ASP A 53 -14.908 -14.178 0.500 1.00 0.00 C ATOM 817 C ASP A 53 -15.944 -13.081 0.250 1.00 0.00 C ATOM 818 O ASP A 53 -15.936 -12.443 -0.802 1.00 0.00 O ATOM 819 CB ASP A 53 -15.641 -15.404 1.048 1.00 0.00 C ATOM 820 CG ASP A 53 -15.364 -16.711 0.301 1.00 0.00 C ATOM 821 OD1 ASP A 53 -14.203 -17.091 0.090 1.00 0.00 O ATOM 822 OD2 ASP A 53 -16.415 -17.358 -0.075 1.00 0.00 O ATOM 0 H ASP A 53 -14.277 -13.049 2.149 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.392 -14.448 -0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.365 -15.536 2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.713 -15.209 1.023 1.00 0.00 H new ATOM 828 N SER A 54 -16.812 -12.895 1.234 1.00 0.00 N ATOM 829 CA SER A 54 -17.852 -11.885 1.133 1.00 0.00 C ATOM 830 C SER A 54 -18.035 -11.186 2.481 1.00 0.00 C ATOM 831 O SER A 54 -17.994 -9.959 2.560 1.00 0.00 O ATOM 832 CB SER A 54 -19.174 -12.501 0.670 1.00 0.00 C ATOM 833 OG SER A 54 -19.068 -13.079 -0.628 1.00 0.00 O ATOM 0 H SER A 54 -16.816 -13.426 2.105 1.00 0.00 H new ATOM 0 HA SER A 54 -17.545 -11.150 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.487 -13.264 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.949 -11.734 0.663 1.00 0.00 H new ATOM 0 HG SER A 54 -19.932 -13.463 -0.887 1.00 0.00 H new ATOM 839 N LEU A 55 -18.234 -11.997 3.510 1.00 0.00 N ATOM 840 CA LEU A 55 -18.424 -11.472 4.851 1.00 0.00 C ATOM 841 C LEU A 55 -17.143 -10.771 5.306 1.00 0.00 C ATOM 842 O LEU A 55 -17.183 -9.627 5.756 1.00 0.00 O ATOM 843 CB LEU A 55 -18.889 -12.579 5.799 1.00 0.00 C ATOM 844 CG LEU A 55 -20.390 -12.880 5.795 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.650 -14.366 5.537 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.050 -12.398 7.088 1.00 0.00 C ATOM 0 H LEU A 55 -18.268 -13.014 3.442 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.217 -10.724 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.354 -13.495 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.596 -12.308 6.813 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.847 -12.326 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.724 -14.553 5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.235 -14.645 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.177 -14.959 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.116 -12.624 7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.595 -12.904 7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.910 -11.322 7.189 1.00 0.00 H new ATOM 858 N ALA A 56 -16.035 -11.487 5.173 1.00 0.00 N ATOM 859 CA ALA A 56 -14.744 -10.948 5.565 1.00 0.00 C ATOM 860 C ALA A 56 -14.457 -9.683 4.754 1.00 0.00 C ATOM 861 O ALA A 56 -13.939 -8.703 5.287 1.00 0.00 O ATOM 862 CB ALA A 56 -13.666 -12.018 5.378 1.00 0.00 C ATOM 0 H ALA A 56 -16.005 -12.436 4.799 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.748 -10.670 6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.697 -11.614 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.901 -12.884 5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.631 -12.320 4.331 1.00 0.00 H new ATOM 868 N ALA A 57 -14.806 -9.746 3.477 1.00 0.00 N ATOM 869 CA ALA A 57 -14.592 -8.617 2.587 1.00 0.00 C ATOM 870 C ALA A 57 -15.555 -7.488 2.961 1.00 0.00 C ATOM 871 O ALA A 57 -15.196 -6.314 2.894 1.00 0.00 O ATOM 872 CB ALA A 57 -14.762 -9.072 1.136 1.00 0.00 C ATOM 0 H ALA A 57 -15.235 -10.560 3.038 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.577 -8.233 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.602 -8.226 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.036 -9.853 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.770 -9.461 0.993 1.00 0.00 H new ATOM 878 N VAL A 58 -16.759 -7.884 3.347 1.00 0.00 N ATOM 879 CA VAL A 58 -17.776 -6.921 3.732 1.00 0.00 C ATOM 880 C VAL A 58 -17.394 -6.290 5.072 1.00 0.00 C ATOM 881 O VAL A 58 -17.273 -5.071 5.177 1.00 0.00 O ATOM 882 CB VAL A 58 -19.150 -7.592 3.757 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.111 -6.840 4.680 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.728 -7.713 2.345 1.00 0.00 C ATOM 0 H VAL A 58 -17.053 -8.859 3.401 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.836 -6.116 2.999 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.023 -8.599 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.081 -7.338 4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.709 -6.830 5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.229 -5.816 4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.705 -8.194 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.833 -6.720 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.058 -8.312 1.728 1.00 0.00 H new ATOM 894 N ARG A 59 -17.214 -7.150 6.064 1.00 0.00 N ATOM 895 CA ARG A 59 -16.848 -6.693 7.394 1.00 0.00 C ATOM 896 C ARG A 59 -15.678 -5.711 7.314 1.00 0.00 C ATOM 897 O ARG A 59 -15.625 -4.740 8.068 1.00 0.00 O ATOM 898 CB ARG A 59 -16.459 -7.868 8.293 1.00 0.00 C ATOM 899 CG ARG A 59 -17.395 -7.969 9.499 1.00 0.00 C ATOM 900 CD ARG A 59 -16.669 -7.588 10.791 1.00 0.00 C ATOM 901 NE ARG A 59 -17.555 -7.814 11.955 1.00 0.00 N ATOM 902 CZ ARG A 59 -17.942 -9.034 12.385 1.00 0.00 C ATOM 903 NH1 ARG A 59 -17.525 -10.149 11.749 1.00 0.00 N ATOM 904 NH2 ARG A 59 -18.736 -9.119 13.436 1.00 0.00 N ATOM 0 H ARG A 59 -17.315 -8.161 5.973 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.717 -6.194 7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.495 -8.795 7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.431 -7.744 8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.253 -7.313 9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.780 -8.985 9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.760 -8.180 10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.365 -6.542 10.752 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.894 -6.998 12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.913 -10.074 10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.822 -11.067 12.081 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.047 -8.271 13.910 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.038 -10.033 13.774 1.00 0.00 H new ATOM 917 N LEU A 60 -14.768 -5.997 6.394 1.00 0.00 N ATOM 918 CA LEU A 60 -13.602 -5.151 6.206 1.00 0.00 C ATOM 919 C LEU A 60 -14.055 -3.752 5.784 1.00 0.00 C ATOM 920 O LEU A 60 -13.695 -2.762 6.419 1.00 0.00 O ATOM 921 CB LEU A 60 -12.621 -5.801 5.228 1.00 0.00 C ATOM 922 CG LEU A 60 -11.273 -5.097 5.064 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.580 -4.916 6.416 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.386 -5.838 4.060 1.00 0.00 C ATOM 0 H LEU A 60 -14.815 -6.803 5.771 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.056 -5.040 7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.437 -6.824 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.099 -5.860 4.250 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.455 -4.101 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.624 -4.413 6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.211 -4.314 7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.411 -5.892 6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.434 -5.317 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.209 -6.854 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.883 -5.871 3.090 1.00 0.00 H new ATOM 936 N ARG A 61 -14.837 -3.715 4.716 1.00 0.00 N ATOM 937 CA ARG A 61 -15.343 -2.454 4.201 1.00 0.00 C ATOM 938 C ARG A 61 -15.918 -1.609 5.340 1.00 0.00 C ATOM 939 O ARG A 61 -15.566 -0.440 5.489 1.00 0.00 O ATOM 940 CB ARG A 61 -16.428 -2.684 3.148 1.00 0.00 C ATOM 941 CG ARG A 61 -17.223 -1.402 2.890 1.00 0.00 C ATOM 942 CD ARG A 61 -17.560 -1.255 1.405 1.00 0.00 C ATOM 943 NE ARG A 61 -19.023 -1.115 1.230 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.697 0.044 1.392 1.00 0.00 C ATOM 945 NH1 ARG A 61 -19.044 1.174 1.736 1.00 0.00 N ATOM 946 NH2 ARG A 61 -21.004 0.054 1.210 1.00 0.00 N ATOM 0 H ARG A 61 -15.133 -4.539 4.192 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.509 -1.927 3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.972 -3.026 2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.102 -3.473 3.482 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.142 -1.416 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.646 -0.539 3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.051 -0.384 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.201 -2.124 0.854 1.00 0.00 H new ATOM 0 HE ARG A 61 -19.555 -1.946 0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.034 1.157 1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.561 2.045 1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -21.489 -0.805 0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.529 0.921 1.328 1.00 0.00 H new ATOM 959 N ASN A 62 -16.793 -2.234 6.114 1.00 0.00 N ATOM 960 CA ASN A 62 -17.420 -1.554 7.235 1.00 0.00 C ATOM 961 C ASN A 62 -16.341 -0.892 8.093 1.00 0.00 C ATOM 962 O ASN A 62 -16.582 0.144 8.711 1.00 0.00 O ATOM 963 CB ASN A 62 -18.188 -2.540 8.117 1.00 0.00 C ATOM 964 CG ASN A 62 -19.613 -2.745 7.600 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.554 -2.096 8.025 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.718 -3.682 6.662 1.00 0.00 N ATOM 0 H ASN A 62 -17.083 -3.204 5.987 1.00 0.00 H new ATOM 0 HA ASN A 62 -18.112 -0.813 6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.665 -3.496 8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.219 -2.169 9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.628 -3.894 6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.889 -4.188 6.352 1.00 0.00 H new ATOM 973 N LEU A 63 -15.172 -1.517 8.104 1.00 0.00 N ATOM 974 CA LEU A 63 -14.055 -1.002 8.877 1.00 0.00 C ATOM 975 C LEU A 63 -13.267 -0.006 8.024 1.00 0.00 C ATOM 976 O LEU A 63 -12.829 1.031 8.519 1.00 0.00 O ATOM 977 CB LEU A 63 -13.205 -2.151 9.423 1.00 0.00 C ATOM 978 CG LEU A 63 -12.642 -1.958 10.832 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.267 -3.302 11.461 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.465 -0.981 10.823 1.00 0.00 C ATOM 0 H LEU A 63 -14.975 -2.375 7.590 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.415 -0.460 9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.809 -3.059 9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.372 -2.317 8.740 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.421 -1.517 11.454 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.869 -3.137 12.462 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.152 -3.935 11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.512 -3.793 10.847 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.083 -0.862 11.837 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.674 -1.370 10.181 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.797 -0.014 10.444 1.00 0.00 H new ATOM 992 N LEU A 64 -13.111 -0.356 6.755 1.00 0.00 N ATOM 993 CA LEU A 64 -12.383 0.495 5.829 1.00 0.00 C ATOM 994 C LEU A 64 -13.042 1.875 5.786 1.00 0.00 C ATOM 995 O LEU A 64 -12.365 2.884 5.593 1.00 0.00 O ATOM 996 CB LEU A 64 -12.274 -0.177 4.458 1.00 0.00 C ATOM 997 CG LEU A 64 -11.571 -1.536 4.432 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.803 -1.730 3.123 1.00 0.00 C ATOM 999 CD2 LEU A 64 -10.671 -1.712 5.657 1.00 0.00 C ATOM 0 H LEU A 64 -13.476 -1.217 6.347 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.358 0.641 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.279 -0.302 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.743 0.497 3.786 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.332 -2.315 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.312 -2.703 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.496 -1.679 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.052 -0.946 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.184 -2.686 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.914 -0.928 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.273 -1.648 6.563 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.354 1.876 5.969 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.111 3.116 5.954 1.00 0.00 C ATOM 1013 C ASN A 65 -14.611 4.028 7.075 1.00 0.00 C ATOM 1014 O ASN A 65 -14.828 5.238 7.040 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.600 2.855 6.186 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.423 3.242 4.955 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.786 4.389 4.755 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.697 2.223 4.145 1.00 0.00 N ATOM 0 H ASN A 65 -14.912 1.037 6.129 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.974 3.582 4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.757 1.801 6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.942 3.424 7.050 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.242 2.378 3.297 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.362 1.287 4.372 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.950 3.412 8.045 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.417 4.153 9.175 1.00 0.00 C ATOM 1027 C ALA A 66 -11.935 4.447 8.934 1.00 0.00 C ATOM 1028 O ALA A 66 -11.350 5.299 9.601 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.652 3.361 10.462 1.00 0.00 C ATOM 0 H ALA A 66 -13.772 2.408 8.071 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.929 5.109 9.282 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.252 3.917 11.310 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.721 3.205 10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.150 2.396 10.392 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.369 3.725 7.978 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.966 3.897 7.640 1.00 0.00 C ATOM 1037 C ALA A 67 -9.774 5.254 6.959 1.00 0.00 C ATOM 1038 O ALA A 67 -8.750 5.908 7.150 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.506 2.733 6.761 1.00 0.00 C ATOM 0 H ALA A 67 -11.857 3.019 7.426 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.350 3.889 8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.454 2.862 6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.637 1.795 7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.099 2.711 5.847 1.00 0.00 H new ATOM 1045 N THR A 68 -10.773 5.635 6.178 1.00 0.00 N ATOM 1046 CA THR A 68 -10.727 6.902 5.467 1.00 0.00 C ATOM 1047 C THR A 68 -11.884 7.802 5.905 1.00 0.00 C ATOM 1048 O THR A 68 -11.712 9.011 6.054 1.00 0.00 O ATOM 1049 CB THR A 68 -10.724 6.602 3.967 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.035 6.108 3.709 1.00 0.00 O ATOM 1051 CG2 THR A 68 -9.807 5.432 3.605 1.00 0.00 C ATOM 0 H THR A 68 -11.620 5.089 6.021 1.00 0.00 H new ATOM 0 HA THR A 68 -9.819 7.456 5.704 1.00 0.00 H new ATOM 0 HB THR A 68 -10.410 7.491 3.420 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.005 5.474 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.842 5.262 2.529 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.785 5.666 3.902 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.140 4.534 4.126 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.036 7.178 6.098 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.221 7.908 6.516 1.00 0.00 C ATOM 1061 C GLY A 69 -15.238 8.001 5.377 1.00 0.00 C ATOM 1062 O GLY A 69 -16.326 8.547 5.554 1.00 0.00 O ATOM 0 H GLY A 69 -13.175 6.175 5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.675 7.411 7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.940 8.910 6.840 1.00 0.00 H new ATOM 1066 N LEU A 70 -14.848 7.459 4.232 1.00 0.00 N ATOM 1067 CA LEU A 70 -15.711 7.473 3.064 1.00 0.00 C ATOM 1068 C LEU A 70 -16.164 6.046 2.752 1.00 0.00 C ATOM 1069 O LEU A 70 -15.872 5.119 3.506 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.015 8.168 1.892 1.00 0.00 C ATOM 1071 CG LEU A 70 -13.780 7.461 1.332 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.032 6.962 -0.092 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -12.548 8.365 1.412 1.00 0.00 C ATOM 0 H LEU A 70 -13.945 7.007 4.089 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.610 8.056 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.738 8.288 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.723 9.169 2.210 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.579 6.585 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.138 6.463 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.865 6.259 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.273 7.807 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.684 7.839 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.724 9.272 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.358 8.629 2.452 1.00 0.00 H new ATOM 1085 N ARG A 71 -16.871 5.913 1.639 1.00 0.00 N ATOM 1086 CA ARG A 71 -17.367 4.614 1.218 1.00 0.00 C ATOM 1087 C ARG A 71 -16.301 3.876 0.407 1.00 0.00 C ATOM 1088 O ARG A 71 -15.197 4.385 0.218 1.00 0.00 O ATOM 1089 CB ARG A 71 -18.634 4.756 0.372 1.00 0.00 C ATOM 1090 CG ARG A 71 -18.332 5.458 -0.953 1.00 0.00 C ATOM 1091 CD ARG A 71 -19.566 5.476 -1.858 1.00 0.00 C ATOM 1092 NE ARG A 71 -20.654 6.247 -1.216 1.00 0.00 N ATOM 1093 CZ ARG A 71 -20.723 7.596 -1.209 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -19.767 8.334 -1.811 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -21.740 8.181 -0.605 1.00 0.00 N ATOM 0 H ARG A 71 -17.112 6.684 1.016 1.00 0.00 H new ATOM 0 HA ARG A 71 -17.605 4.043 2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.058 3.771 0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.383 5.322 0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.003 6.479 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.512 4.949 -1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -19.314 5.920 -2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -19.898 4.457 -2.054 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.398 5.728 -0.750 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.985 7.874 -2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.827 9.352 -1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -22.458 7.616 -0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.808 9.199 -0.590 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.668 2.688 -0.051 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.756 1.875 -0.838 1.00 0.00 C ATOM 1110 C LEU A 72 -16.563 0.917 -1.717 1.00 0.00 C ATOM 1111 O LEU A 72 -17.720 0.622 -1.421 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.745 1.172 0.070 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.842 2.086 0.902 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.038 1.279 1.923 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.941 2.933 0.002 1.00 0.00 C ATOM 0 H LEU A 72 -17.584 2.269 0.108 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.167 2.502 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.291 0.517 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.113 0.535 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.475 2.774 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.405 1.952 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.721 0.758 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.415 0.552 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.310 3.573 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.313 2.279 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.557 3.551 -0.651 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.903 0.446 -2.809 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.547 -0.473 -3.733 1.00 0.00 C ATOM 1129 C PRO A 73 -16.635 -1.879 -3.136 1.00 0.00 C ATOM 1130 O PRO A 73 -15.797 -2.265 -2.323 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.703 -0.415 -4.996 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.365 0.171 -4.577 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.533 0.773 -3.191 1.00 0.00 C ATOM 0 HA PRO A 73 -17.580 -0.200 -3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.577 -1.408 -5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.180 0.204 -5.756 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.596 -0.602 -4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.042 0.932 -5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.815 0.353 -2.487 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.372 1.851 -3.205 1.00 0.00 H new ATOM 1141 N SER A 74 -17.657 -2.605 -3.564 1.00 0.00 N ATOM 1142 CA SER A 74 -17.865 -3.960 -3.082 1.00 0.00 C ATOM 1143 C SER A 74 -16.802 -4.893 -3.666 1.00 0.00 C ATOM 1144 O SER A 74 -16.579 -5.986 -3.148 1.00 0.00 O ATOM 1145 CB SER A 74 -19.266 -4.462 -3.439 1.00 0.00 C ATOM 1146 OG SER A 74 -19.533 -5.744 -2.876 1.00 0.00 O ATOM 0 H SER A 74 -18.350 -2.281 -4.239 1.00 0.00 H new ATOM 0 HA SER A 74 -17.776 -3.954 -1.996 1.00 0.00 H new ATOM 0 HB2 SER A 74 -20.009 -3.748 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.367 -4.514 -4.523 1.00 0.00 H new ATOM 0 HG SER A 74 -20.437 -6.029 -3.125 1.00 0.00 H new ATOM 1152 N THR A 75 -16.175 -4.427 -4.736 1.00 0.00 N ATOM 1153 CA THR A 75 -15.141 -5.205 -5.396 1.00 0.00 C ATOM 1154 C THR A 75 -13.771 -4.891 -4.793 1.00 0.00 C ATOM 1155 O THR A 75 -12.775 -5.523 -5.142 1.00 0.00 O ATOM 1156 CB THR A 75 -15.224 -4.924 -6.897 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.727 -3.595 -7.029 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.666 -4.834 -7.398 1.00 0.00 C ATOM 0 H THR A 75 -16.363 -3.520 -5.162 1.00 0.00 H new ATOM 0 HA THR A 75 -15.291 -6.274 -5.242 1.00 0.00 H new ATOM 0 HB THR A 75 -14.699 -5.709 -7.442 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.744 -3.332 -7.973 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.667 -4.633 -8.469 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.178 -5.777 -7.205 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.182 -4.028 -6.877 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.763 -3.914 -3.897 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.531 -3.509 -3.243 1.00 0.00 C ATOM 1168 C LEU A 76 -11.708 -4.751 -2.900 1.00 0.00 C ATOM 1169 O LEU A 76 -10.568 -4.886 -3.343 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.834 -2.620 -2.035 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.720 -2.501 -0.993 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.322 -1.039 -0.780 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -12.119 -3.183 0.317 1.00 0.00 C ATOM 0 H LEU A 76 -14.590 -3.392 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.925 -2.901 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.075 -1.620 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.727 -3.004 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.841 -3.022 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.529 -0.983 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.967 -0.618 -1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.187 -0.473 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.310 -3.084 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.019 -2.712 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.313 -4.240 0.133 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.316 -5.628 -2.115 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.653 -6.855 -1.709 1.00 0.00 C ATOM 1187 C VAL A 77 -11.911 -7.940 -2.756 1.00 0.00 C ATOM 1188 O VAL A 77 -12.115 -9.104 -2.413 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.112 -7.258 -0.306 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -11.550 -8.627 0.083 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -11.727 -6.194 0.724 1.00 0.00 C ATOM 0 H VAL A 77 -13.261 -5.513 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.575 -6.706 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.199 -7.334 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.891 -8.889 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.897 -9.378 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.461 -8.590 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.065 -6.505 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.644 -6.071 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.197 -5.246 0.462 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.892 -7.521 -4.013 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.121 -8.443 -5.113 1.00 0.00 C ATOM 1203 C PHE A 78 -11.252 -8.083 -6.319 1.00 0.00 C ATOM 1204 O PHE A 78 -10.657 -8.960 -6.944 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.595 -8.314 -5.505 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.156 -9.542 -6.224 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -13.882 -9.744 -7.541 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -14.930 -10.432 -5.547 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.404 -10.883 -8.208 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -15.452 -11.572 -6.214 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.177 -11.773 -7.531 1.00 0.00 C ATOM 0 H PHE A 78 -11.722 -6.555 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.869 -9.458 -4.807 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.185 -8.130 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.715 -7.442 -6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.267 -9.038 -8.079 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -15.148 -10.272 -4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -14.187 -11.043 -9.254 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -16.067 -12.279 -5.676 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.573 -12.640 -8.039 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.206 -6.791 -6.611 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.419 -6.305 -7.732 1.00 0.00 C ATOM 1223 C ASP A 79 -8.987 -6.037 -7.266 1.00 0.00 C ATOM 1224 O ASP A 79 -8.079 -5.900 -8.084 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.991 -4.996 -8.279 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.969 -4.868 -9.804 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -11.883 -5.336 -10.498 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -9.944 -4.248 -10.284 1.00 0.00 O ATOM 0 H ASP A 79 -11.701 -6.066 -6.091 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.442 -7.064 -8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.021 -4.895 -7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.430 -4.165 -7.852 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.829 -5.970 -5.952 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.522 -5.721 -5.367 1.00 0.00 C ATOM 1236 C HIS A 80 -6.811 -7.052 -5.113 1.00 0.00 C ATOM 1237 O HIS A 80 -7.369 -7.946 -4.478 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.646 -4.865 -4.105 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.609 -5.656 -2.820 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.566 -5.524 -1.829 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.720 -6.590 -2.374 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.258 -6.345 -0.837 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.113 -7.004 -1.176 1.00 0.00 N ATOM 0 H HIS A 80 -9.584 -6.084 -5.276 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.910 -5.150 -6.065 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.837 -4.134 -4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.580 -4.305 -4.148 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -9.372 -4.900 -1.858 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.845 -6.934 -2.906 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.815 -6.471 0.079 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.559 -7.143 -5.634 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.766 -8.349 -5.471 1.00 0.00 C ATOM 1253 C PRO A 81 -4.218 -8.456 -4.046 1.00 0.00 C ATOM 1254 O PRO A 81 -4.313 -9.509 -3.418 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.673 -8.247 -6.521 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.614 -6.782 -6.921 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.867 -6.104 -6.391 1.00 0.00 C ATOM 0 HA PRO A 81 -5.350 -9.258 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.716 -8.582 -6.122 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.898 -8.878 -7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.722 -6.310 -6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.556 -6.684 -8.005 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.619 -5.252 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.487 -5.727 -7.204 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.656 -7.351 -3.578 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.092 -7.307 -2.240 1.00 0.00 C ATOM 1267 C ASN A 82 -3.550 -6.025 -1.541 1.00 0.00 C ATOM 1268 O ASN A 82 -4.259 -5.211 -2.130 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.563 -7.301 -2.286 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.046 -8.161 -3.440 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.724 -9.328 -3.283 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.983 -7.523 -4.605 1.00 0.00 N ATOM 0 H ASN A 82 -3.579 -6.479 -4.102 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.432 -8.191 -1.701 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.203 -6.278 -2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.166 -7.675 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.650 -8.011 -5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.268 -6.546 -4.667 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.124 -5.885 -0.293 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.481 -4.716 0.492 1.00 0.00 C ATOM 1281 C ALA A 83 -2.885 -3.467 -0.160 1.00 0.00 C ATOM 1282 O ALA A 83 -3.579 -2.470 -0.350 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.005 -4.905 1.934 1.00 0.00 C ATOM 0 H ALA A 83 -2.535 -6.562 0.193 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.563 -4.588 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.273 -4.028 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.480 -5.788 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.923 -5.034 1.946 1.00 0.00 H new ATOM 1289 N SER A 84 -1.604 -3.563 -0.484 1.00 0.00 N ATOM 1290 CA SER A 84 -0.906 -2.453 -1.111 1.00 0.00 C ATOM 1291 C SER A 84 -1.823 -1.762 -2.122 1.00 0.00 C ATOM 1292 O SER A 84 -1.778 -0.543 -2.275 1.00 0.00 O ATOM 1293 CB SER A 84 0.378 -2.926 -1.795 1.00 0.00 C ATOM 1294 OG SER A 84 1.421 -1.959 -1.700 1.00 0.00 O ATOM 0 H SER A 84 -1.031 -4.392 -0.324 1.00 0.00 H new ATOM 0 HA SER A 84 -0.630 -1.740 -0.334 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.708 -3.860 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.173 -3.136 -2.845 1.00 0.00 H new ATOM 0 HG SER A 84 2.224 -2.299 -2.147 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.634 -2.572 -2.787 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.560 -2.054 -3.780 1.00 0.00 C ATOM 1302 C ALA A 85 -4.736 -1.380 -3.071 1.00 0.00 C ATOM 1303 O ALA A 85 -5.038 -0.216 -3.332 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.008 -3.190 -4.702 1.00 0.00 C ATOM 0 H ALA A 85 -2.669 -3.583 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.075 -1.302 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.703 -2.802 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.139 -3.616 -5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.502 -3.963 -4.113 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.368 -2.139 -2.188 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.504 -1.630 -1.440 1.00 0.00 C ATOM 1312 C VAL A 86 -6.160 -0.249 -0.876 1.00 0.00 C ATOM 1313 O VAL A 86 -6.954 0.684 -0.984 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.911 -2.633 -0.358 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -6.383 -2.205 1.013 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -8.429 -2.820 -0.328 1.00 0.00 C ATOM 0 H VAL A 86 -5.114 -3.103 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.368 -1.509 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.460 -3.594 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.686 -2.935 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.295 -2.147 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.791 -1.228 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.692 -3.537 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.909 -1.864 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.769 -3.192 -1.295 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.976 -0.164 -0.287 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.518 1.086 0.294 1.00 0.00 C ATOM 1328 C ALA A 87 -4.706 2.215 -0.722 1.00 0.00 C ATOM 1329 O ALA A 87 -5.210 3.284 -0.382 1.00 0.00 O ATOM 1330 CB ALA A 87 -3.061 0.939 0.738 1.00 0.00 C ATOM 0 H ALA A 87 -4.320 -0.941 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.105 1.336 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.717 1.877 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.985 0.144 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.441 0.691 -0.124 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.291 1.938 -1.950 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.408 2.917 -3.018 1.00 0.00 C ATOM 1338 C GLY A 88 -5.872 3.281 -3.270 1.00 0.00 C ATOM 1339 O GLY A 88 -6.271 4.429 -3.080 1.00 0.00 O ATOM 0 H GLY A 88 -3.874 1.050 -2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.846 3.814 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.966 2.519 -3.931 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.633 2.283 -3.694 1.00 0.00 N ATOM 1344 CA PHE A 89 -8.044 2.484 -3.974 1.00 0.00 C ATOM 1345 C PHE A 89 -8.683 3.409 -2.936 1.00 0.00 C ATOM 1346 O PHE A 89 -9.515 4.249 -3.277 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.716 1.111 -3.897 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.449 0.705 -5.177 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -8.772 0.090 -6.183 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -10.779 0.958 -5.308 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -9.453 -0.287 -7.371 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -11.460 0.581 -6.495 1.00 0.00 C ATOM 1353 CZ PHE A 89 -10.783 -0.034 -7.502 1.00 0.00 C ATOM 0 H PHE A 89 -6.299 1.332 -3.850 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.166 2.943 -4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.960 0.360 -3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.425 1.111 -3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.716 -0.112 -6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -11.317 1.446 -4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.915 -0.775 -8.170 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.516 0.782 -6.599 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.301 -0.321 -8.405 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.269 3.225 -1.691 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.790 4.033 -0.602 1.00 0.00 C ATOM 1365 C LEU A 90 -8.154 5.423 -0.655 1.00 0.00 C ATOM 1366 O LEU A 90 -8.855 6.433 -0.601 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.594 3.318 0.736 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.755 2.435 1.201 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.615 1.013 0.654 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -9.881 2.453 2.726 1.00 0.00 C ATOM 0 H LEU A 90 -7.579 2.528 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.866 4.170 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.698 2.700 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.405 4.069 1.503 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.680 2.846 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.452 0.406 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.612 1.041 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.681 0.577 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.713 1.818 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.959 2.081 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.061 3.473 3.064 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.833 5.432 -0.760 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.095 6.682 -0.820 1.00 0.00 C ATOM 1384 C ASP A 91 -6.612 7.517 -1.993 1.00 0.00 C ATOM 1385 O ASP A 91 -6.676 8.743 -1.906 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.602 6.430 -1.040 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.669 7.414 -0.333 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.030 8.262 -0.975 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.610 7.286 0.949 1.00 0.00 O ATOM 0 H ASP A 91 -6.255 4.593 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.236 7.204 0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.365 5.421 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.397 6.463 -2.110 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.966 6.821 -3.064 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.474 7.484 -4.253 1.00 0.00 C ATOM 1397 C ALA A 92 -8.931 7.892 -4.020 1.00 0.00 C ATOM 1398 O ALA A 92 -9.386 8.908 -4.543 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.313 6.559 -5.461 1.00 0.00 C ATOM 0 H ALA A 92 -6.911 5.805 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.906 8.391 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.694 7.056 -6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.258 6.322 -5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.872 5.639 -5.292 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.622 7.078 -3.235 1.00 0.00 N ATOM 1406 CA GLU A 93 -11.017 7.341 -2.928 1.00 0.00 C ATOM 1407 C GLU A 93 -11.130 8.466 -1.897 1.00 0.00 C ATOM 1408 O GLU A 93 -12.123 9.192 -1.871 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.718 6.074 -2.435 1.00 0.00 C ATOM 1410 CG GLU A 93 -11.958 5.097 -3.588 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.411 5.158 -4.065 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.298 5.565 -3.301 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.603 4.764 -5.278 1.00 0.00 O ATOM 0 H GLU A 93 -9.241 6.236 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.516 7.661 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.112 5.594 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.669 6.337 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.290 5.334 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.719 4.083 -3.266 1.00 0.00 H new ATOM 1421 N LEU A 94 -10.099 8.576 -1.073 1.00 0.00 N ATOM 1422 CA LEU A 94 -10.070 9.601 -0.043 1.00 0.00 C ATOM 1423 C LEU A 94 -9.396 10.857 -0.598 1.00 0.00 C ATOM 1424 O LEU A 94 -9.622 11.959 -0.099 1.00 0.00 O ATOM 1425 CB LEU A 94 -9.413 9.063 1.230 1.00 0.00 C ATOM 1426 CG LEU A 94 -7.970 8.575 1.086 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -6.979 9.709 1.356 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -7.710 7.361 1.980 1.00 0.00 C ATOM 0 H LEU A 94 -9.277 7.972 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.084 9.882 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.436 9.847 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.018 8.239 1.607 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.819 8.254 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.961 9.336 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.148 10.517 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.122 10.083 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.677 7.034 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.885 7.632 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.382 6.551 1.698 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.583 10.650 -1.623 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.875 11.752 -2.251 1.00 0.00 C ATOM 1442 C GLY A 95 -8.637 12.268 -3.474 1.00 0.00 C ATOM 1443 O GLY A 95 -9.241 13.338 -3.427 1.00 0.00 O ATOM 0 H GLY A 95 -8.399 9.735 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.743 12.561 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.879 11.426 -2.550 1.00 0.00 H new TER 1447 GLY A 95