USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN : amide:sc= 0.174 K(o=0.86,f=-7.4!) USER MOD Set 1.2: A 68 TYR OH : rot -178:sc= 0.688 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.03 (180deg=-0.319) USER MOD Single : A 4 THR OG1 : rot 74:sc= 1.11 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -33:sc= 0.465 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.991 F(o=-3.1,f=-0.99) USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= -0.319 (180deg=-0.802) USER MOD Single : A 29 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-5.1!) USER MOD Single : A 37 THR OG1 : rot 110:sc= -1.93! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.944 K(o=-0.94,f=-2.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0921 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.729 F(o=-1.3,f=-0.73) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -112:sc= -0.704 (180deg=-0.861) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= -0.0487 (180deg=-0.476) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.413 -11.329 -14.059 1.00 0.00 N ATOM 2 CA MET A 1 2.696 -12.781 -14.235 1.00 0.00 C ATOM 3 C MET A 1 2.891 -13.423 -12.867 1.00 0.00 C ATOM 4 O MET A 1 4.007 -13.482 -12.353 1.00 0.00 O ATOM 5 CB MET A 1 3.961 -12.954 -15.081 1.00 0.00 C ATOM 6 CG MET A 1 3.692 -12.480 -16.511 1.00 0.00 C ATOM 7 SD MET A 1 5.177 -12.721 -17.519 1.00 0.00 S ATOM 8 CE MET A 1 4.615 -11.805 -18.974 1.00 0.00 C ATOM 0 H1 MET A 1 1.986 -10.951 -14.928 1.00 0.00 H new ATOM 0 H2 MET A 1 1.755 -11.197 -13.264 1.00 0.00 H new ATOM 0 H3 MET A 1 3.300 -10.824 -13.861 1.00 0.00 H new ATOM 0 HA MET A 1 1.860 -13.263 -14.742 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.782 -12.383 -14.647 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.267 -14.000 -15.086 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.856 -13.035 -16.938 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.408 -11.428 -16.509 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.392 -11.824 -19.739 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.708 -12.266 -19.366 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.406 -10.772 -18.695 1.00 0.00 H new ATOM 20 N GLU A 2 1.797 -13.904 -12.281 1.00 0.00 N ATOM 21 CA GLU A 2 1.856 -14.543 -10.967 1.00 0.00 C ATOM 22 C GLU A 2 2.629 -13.666 -9.974 1.00 0.00 C ATOM 23 O GLU A 2 3.679 -14.066 -9.473 1.00 0.00 O ATOM 24 CB GLU A 2 2.542 -15.912 -11.088 1.00 0.00 C ATOM 25 CG GLU A 2 1.652 -16.881 -11.877 1.00 0.00 C ATOM 26 CD GLU A 2 1.504 -16.405 -13.319 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.580 -15.652 -13.581 1.00 0.00 O ATOM 28 OE2 GLU A 2 2.315 -16.801 -14.140 1.00 0.00 O ATOM 0 H GLU A 2 0.864 -13.864 -12.691 1.00 0.00 H new ATOM 0 HA GLU A 2 0.839 -14.674 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.505 -15.802 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.742 -16.316 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.085 -17.881 -11.859 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.671 -16.950 -11.407 1.00 0.00 H new ATOM 35 N PRO A 3 2.134 -12.482 -9.685 1.00 0.00 N ATOM 36 CA PRO A 3 2.803 -11.542 -8.735 1.00 0.00 C ATOM 37 C PRO A 3 2.585 -11.957 -7.282 1.00 0.00 C ATOM 38 O PRO A 3 2.885 -11.200 -6.359 1.00 0.00 O ATOM 39 CB PRO A 3 2.127 -10.195 -9.047 1.00 0.00 C ATOM 40 CG PRO A 3 0.739 -10.574 -9.460 1.00 0.00 C ATOM 41 CD PRO A 3 0.882 -11.901 -10.226 1.00 0.00 C ATOM 0 HA PRO A 3 3.886 -11.515 -8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.119 -9.541 -8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 3 2.648 -9.661 -9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.090 -10.691 -8.592 1.00 0.00 H new ATOM 0 HG3 PRO A 3 0.294 -9.804 -10.090 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.029 -12.557 -10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.948 -11.738 -11.302 1.00 0.00 H new ATOM 49 N THR A 4 2.052 -13.160 -7.086 1.00 0.00 N ATOM 50 CA THR A 4 1.790 -13.656 -5.739 1.00 0.00 C ATOM 51 C THR A 4 3.087 -14.106 -5.084 1.00 0.00 C ATOM 52 O THR A 4 3.327 -15.301 -4.905 1.00 0.00 O ATOM 53 CB THR A 4 0.808 -14.830 -5.795 1.00 0.00 C ATOM 54 OG1 THR A 4 1.470 -15.976 -6.311 1.00 0.00 O ATOM 55 CG2 THR A 4 -0.373 -14.472 -6.698 1.00 0.00 C ATOM 0 H THR A 4 1.795 -13.803 -7.835 1.00 0.00 H new ATOM 0 HA THR A 4 1.354 -12.850 -5.149 1.00 0.00 H new ATOM 0 HB THR A 4 0.441 -15.042 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.074 -16.339 -5.630 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.069 -15.310 -6.735 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.882 -13.594 -6.300 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.010 -14.257 -7.703 1.00 0.00 H new ATOM 63 N ALA A 5 3.920 -13.133 -4.719 1.00 0.00 N ATOM 64 CA ALA A 5 5.193 -13.426 -4.074 1.00 0.00 C ATOM 65 C ALA A 5 5.782 -12.169 -3.442 1.00 0.00 C ATOM 66 O ALA A 5 5.601 -11.924 -2.251 1.00 0.00 O ATOM 67 CB ALA A 5 6.180 -14.003 -5.093 1.00 0.00 C ATOM 0 H ALA A 5 3.735 -12.140 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 5 5.015 -14.160 -3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.128 -14.218 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.773 -14.922 -5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.343 -13.280 -5.892 1.00 0.00 H new ATOM 73 N PHE A 6 6.483 -11.376 -4.251 1.00 0.00 N ATOM 74 CA PHE A 6 7.101 -10.142 -3.766 1.00 0.00 C ATOM 75 C PHE A 6 8.022 -10.445 -2.578 1.00 0.00 C ATOM 76 O PHE A 6 7.561 -10.783 -1.488 1.00 0.00 O ATOM 77 CB PHE A 6 6.010 -9.116 -3.356 1.00 0.00 C ATOM 78 CG PHE A 6 5.541 -8.316 -4.570 1.00 0.00 C ATOM 79 CD1 PHE A 6 5.069 -8.989 -5.706 1.00 0.00 C ATOM 80 CD2 PHE A 6 5.585 -6.909 -4.565 1.00 0.00 C ATOM 81 CE1 PHE A 6 4.643 -8.264 -6.824 1.00 0.00 C ATOM 82 CE2 PHE A 6 5.156 -6.189 -5.687 1.00 0.00 C ATOM 83 CZ PHE A 6 4.685 -6.866 -6.816 1.00 0.00 C ATOM 0 H PHE A 6 6.637 -11.564 -5.242 1.00 0.00 H new ATOM 0 HA PHE A 6 7.697 -9.710 -4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.164 -9.637 -2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.406 -8.439 -2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.034 -10.068 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.950 -6.384 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.280 -8.786 -7.697 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.189 -5.110 -5.680 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.354 -6.310 -7.681 1.00 0.00 H new ATOM 93 N SER A 7 9.328 -10.306 -2.802 1.00 0.00 N ATOM 94 CA SER A 7 10.321 -10.555 -1.755 1.00 0.00 C ATOM 95 C SER A 7 10.551 -9.290 -0.936 1.00 0.00 C ATOM 96 O SER A 7 9.910 -8.270 -1.166 1.00 0.00 O ATOM 97 CB SER A 7 11.642 -10.988 -2.387 1.00 0.00 C ATOM 98 OG SER A 7 11.451 -12.207 -3.093 1.00 0.00 O ATOM 0 H SER A 7 9.724 -10.023 -3.698 1.00 0.00 H new ATOM 0 HA SER A 7 9.949 -11.345 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.004 -10.215 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.402 -11.117 -1.616 1.00 0.00 H new ATOM 0 HG SER A 7 12.298 -12.485 -3.501 1.00 0.00 H new ATOM 104 N GLY A 8 11.464 -9.366 0.024 1.00 0.00 N ATOM 105 CA GLY A 8 11.762 -8.217 0.873 1.00 0.00 C ATOM 106 C GLY A 8 12.330 -7.056 0.059 1.00 0.00 C ATOM 107 O GLY A 8 12.100 -5.891 0.380 1.00 0.00 O ATOM 0 H GLY A 8 12.008 -10.203 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.855 -7.895 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.476 -8.507 1.643 1.00 0.00 H new ATOM 111 N SER A 9 13.083 -7.381 -0.987 1.00 0.00 N ATOM 112 CA SER A 9 13.693 -6.359 -1.832 1.00 0.00 C ATOM 113 C SER A 9 12.642 -5.653 -2.685 1.00 0.00 C ATOM 114 O SER A 9 12.957 -4.713 -3.416 1.00 0.00 O ATOM 115 CB SER A 9 14.747 -6.993 -2.740 1.00 0.00 C ATOM 116 OG SER A 9 15.454 -5.967 -3.426 1.00 0.00 O ATOM 0 H SER A 9 13.285 -8.340 -1.270 1.00 0.00 H new ATOM 0 HA SER A 9 14.165 -5.621 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.438 -7.595 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.271 -7.664 -3.455 1.00 0.00 H new ATOM 0 HG SER A 9 14.849 -5.218 -3.608 1.00 0.00 H new ATOM 122 N ASP A 10 11.392 -6.099 -2.588 1.00 0.00 N ATOM 123 CA ASP A 10 10.316 -5.485 -3.358 1.00 0.00 C ATOM 124 C ASP A 10 10.070 -4.062 -2.866 1.00 0.00 C ATOM 125 O ASP A 10 10.244 -3.773 -1.682 1.00 0.00 O ATOM 126 CB ASP A 10 9.026 -6.310 -3.221 1.00 0.00 C ATOM 127 CG ASP A 10 8.434 -6.165 -1.816 1.00 0.00 C ATOM 128 OD1 ASP A 10 9.177 -5.806 -0.918 1.00 0.00 O ATOM 129 OD2 ASP A 10 7.249 -6.403 -1.664 1.00 0.00 O ATOM 0 H ASP A 10 11.102 -6.874 -1.991 1.00 0.00 H new ATOM 0 HA ASP A 10 10.609 -5.457 -4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.298 -5.981 -3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.237 -7.360 -3.425 1.00 0.00 H new ATOM 134 N VAL A 11 9.662 -3.174 -3.779 1.00 0.00 N ATOM 135 CA VAL A 11 9.383 -1.773 -3.435 1.00 0.00 C ATOM 136 C VAL A 11 8.017 -1.348 -4.010 1.00 0.00 C ATOM 137 O VAL A 11 7.822 -1.409 -5.223 1.00 0.00 O ATOM 138 CB VAL A 11 10.490 -0.869 -3.999 1.00 0.00 C ATOM 139 CG1 VAL A 11 11.822 -1.235 -3.334 1.00 0.00 C ATOM 140 CG2 VAL A 11 10.614 -1.039 -5.533 1.00 0.00 C ATOM 0 H VAL A 11 9.517 -3.400 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 11 9.356 -1.673 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 11 10.237 0.170 -3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.613 -0.598 -3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.743 -1.090 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.058 -2.278 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.404 -0.389 -5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.856 -2.076 -5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.669 -0.772 -6.006 1.00 0.00 H new ATOM 150 N PRO A 12 7.054 -0.930 -3.206 1.00 0.00 N ATOM 151 CA PRO A 12 5.728 -0.520 -3.747 1.00 0.00 C ATOM 152 C PRO A 12 5.773 0.866 -4.391 1.00 0.00 C ATOM 153 O PRO A 12 6.535 1.738 -3.971 1.00 0.00 O ATOM 154 CB PRO A 12 4.813 -0.563 -2.512 1.00 0.00 C ATOM 155 CG PRO A 12 5.716 -0.212 -1.368 1.00 0.00 C ATOM 156 CD PRO A 12 7.097 -0.796 -1.729 1.00 0.00 C ATOM 0 HA PRO A 12 5.379 -1.170 -4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.991 0.147 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.369 -1.550 -2.380 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.772 0.868 -1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.345 -0.633 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.905 -0.137 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.262 -1.759 -1.245 1.00 0.00 H new ATOM 164 N ARG A 13 4.942 1.051 -5.414 1.00 0.00 N ATOM 165 CA ARG A 13 4.866 2.322 -6.132 1.00 0.00 C ATOM 166 C ARG A 13 3.488 2.466 -6.771 1.00 0.00 C ATOM 167 O ARG A 13 3.069 1.622 -7.564 1.00 0.00 O ATOM 168 CB ARG A 13 5.951 2.373 -7.212 1.00 0.00 C ATOM 169 CG ARG A 13 5.950 3.750 -7.881 1.00 0.00 C ATOM 170 CD ARG A 13 7.126 3.845 -8.856 1.00 0.00 C ATOM 171 NE ARG A 13 6.950 2.892 -9.951 1.00 0.00 N ATOM 172 CZ ARG A 13 6.141 3.152 -10.975 1.00 0.00 C ATOM 173 NH1 ARG A 13 6.010 2.285 -11.942 1.00 0.00 N ATOM 174 NH2 ARG A 13 5.475 4.274 -11.009 1.00 0.00 N ATOM 0 H ARG A 13 4.309 0.333 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 13 5.024 3.143 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.927 2.174 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.774 1.597 -7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.011 3.908 -8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.025 4.533 -7.126 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.198 4.858 -9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.060 3.641 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 13 7.459 2.008 -9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.528 1.407 -11.913 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.389 2.486 -12.726 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.575 4.950 -10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.854 4.475 -11.793 1.00 0.00 H new ATOM 188 N LEU A 14 2.780 3.531 -6.407 1.00 0.00 N ATOM 189 CA LEU A 14 1.442 3.774 -6.936 1.00 0.00 C ATOM 190 C LEU A 14 1.504 4.145 -8.432 1.00 0.00 C ATOM 191 O LEU A 14 2.164 5.124 -8.784 1.00 0.00 O ATOM 192 CB LEU A 14 0.788 4.919 -6.153 1.00 0.00 C ATOM 193 CG LEU A 14 0.657 4.538 -4.665 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.150 5.755 -3.880 1.00 0.00 C ATOM 195 CD2 LEU A 14 -0.318 3.345 -4.475 1.00 0.00 C ATOM 0 H LEU A 14 3.109 4.238 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 14 0.853 2.863 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.385 5.825 -6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.196 5.138 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 14 1.636 4.233 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.054 5.494 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.857 6.578 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.822 6.059 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.390 3.099 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.304 3.617 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.054 2.480 -5.024 1.00 0.00 H new ATOM 207 N PRO A 15 0.852 3.410 -9.329 1.00 0.00 N ATOM 208 CA PRO A 15 0.893 3.737 -10.787 1.00 0.00 C ATOM 209 C PRO A 15 -0.003 4.929 -11.133 1.00 0.00 C ATOM 210 O PRO A 15 -0.913 5.276 -10.383 1.00 0.00 O ATOM 211 CB PRO A 15 0.410 2.440 -11.458 1.00 0.00 C ATOM 212 CG PRO A 15 -0.548 1.851 -10.470 1.00 0.00 C ATOM 213 CD PRO A 15 0.012 2.210 -9.078 1.00 0.00 C ATOM 0 HA PRO A 15 1.885 4.040 -11.122 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.076 2.642 -12.412 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.240 1.763 -11.660 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.550 2.259 -10.606 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.624 0.771 -10.595 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.788 2.423 -8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.599 1.392 -8.660 1.00 0.00 H new ATOM 221 N ARG A 16 0.269 5.550 -12.274 1.00 0.00 N ATOM 222 CA ARG A 16 -0.509 6.702 -12.715 1.00 0.00 C ATOM 223 C ARG A 16 -1.987 6.347 -12.819 1.00 0.00 C ATOM 224 O ARG A 16 -2.347 5.190 -13.034 1.00 0.00 O ATOM 225 CB ARG A 16 -0.003 7.184 -14.079 1.00 0.00 C ATOM 226 CG ARG A 16 1.404 7.762 -13.927 1.00 0.00 C ATOM 227 CD ARG A 16 1.918 8.220 -15.293 1.00 0.00 C ATOM 228 NE ARG A 16 3.281 8.727 -15.175 1.00 0.00 N ATOM 229 CZ ARG A 16 3.535 9.905 -14.610 1.00 0.00 C ATOM 230 NH1 ARG A 16 4.765 10.329 -14.515 1.00 0.00 N ATOM 231 NH2 ARG A 16 2.554 10.635 -14.155 1.00 0.00 N ATOM 0 H ARG A 16 1.019 5.277 -12.909 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.390 7.497 -11.979 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.007 6.356 -14.788 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.677 7.940 -14.482 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.391 8.601 -13.232 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.074 7.011 -13.508 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.891 7.388 -15.997 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.267 8.997 -15.693 1.00 0.00 H new ATOM 0 HE ARG A 16 4.055 8.167 -15.533 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.530 9.758 -14.873 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.961 11.232 -14.082 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.593 10.303 -14.232 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.748 11.538 -13.722 1.00 0.00 H new ATOM 245 N GLY A 17 -2.839 7.358 -12.668 1.00 0.00 N ATOM 246 CA GLY A 17 -4.284 7.163 -12.748 1.00 0.00 C ATOM 247 C GLY A 17 -4.831 6.618 -11.435 1.00 0.00 C ATOM 248 O GLY A 17 -5.949 6.106 -11.384 1.00 0.00 O ATOM 0 H GLY A 17 -2.553 8.321 -12.490 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.770 8.109 -12.985 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.518 6.473 -13.559 1.00 0.00 H new ATOM 252 N VAL A 18 -4.032 6.733 -10.372 1.00 0.00 N ATOM 253 CA VAL A 18 -4.431 6.252 -9.042 1.00 0.00 C ATOM 254 C VAL A 18 -4.118 7.307 -7.988 1.00 0.00 C ATOM 255 O VAL A 18 -3.021 7.867 -7.961 1.00 0.00 O ATOM 256 CB VAL A 18 -3.684 4.954 -8.718 1.00 0.00 C ATOM 257 CG1 VAL A 18 -4.106 4.435 -7.339 1.00 0.00 C ATOM 258 CG2 VAL A 18 -4.010 3.903 -9.787 1.00 0.00 C ATOM 0 H VAL A 18 -3.104 7.155 -10.404 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.504 6.060 -9.040 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.611 5.148 -8.709 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.570 3.512 -7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.870 5.182 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.179 4.241 -7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.481 2.977 -9.561 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.083 3.714 -9.796 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.698 4.270 -10.765 1.00 0.00 H new ATOM 268 N ARG A 19 -5.096 7.577 -7.122 1.00 0.00 N ATOM 269 CA ARG A 19 -4.943 8.574 -6.056 1.00 0.00 C ATOM 270 C ARG A 19 -5.480 8.028 -4.742 1.00 0.00 C ATOM 271 O ARG A 19 -6.323 7.133 -4.731 1.00 0.00 O ATOM 272 CB ARG A 19 -5.706 9.842 -6.429 1.00 0.00 C ATOM 273 CG ARG A 19 -5.084 10.447 -7.687 1.00 0.00 C ATOM 274 CD ARG A 19 -5.873 11.686 -8.100 1.00 0.00 C ATOM 275 NE ARG A 19 -7.212 11.305 -8.534 1.00 0.00 N ATOM 276 CZ ARG A 19 -8.130 12.221 -8.820 1.00 0.00 C ATOM 277 NH1 ARG A 19 -9.316 11.852 -9.219 1.00 0.00 N ATOM 278 NH2 ARG A 19 -7.848 13.490 -8.695 1.00 0.00 N ATOM 0 H ARG A 19 -6.007 7.118 -7.137 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.884 8.804 -5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.757 9.611 -6.603 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.668 10.559 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.043 10.711 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.087 9.715 -8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.938 12.381 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.355 12.205 -8.906 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.448 10.316 -8.620 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.538 10.861 -9.311 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.022 12.555 -9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.922 13.778 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.553 14.193 -8.915 1.00 0.00 H new ATOM 292 N LEU A 20 -4.982 8.572 -3.634 1.00 0.00 N ATOM 293 CA LEU A 20 -5.413 8.133 -2.304 1.00 0.00 C ATOM 294 C LEU A 20 -6.505 9.056 -1.777 1.00 0.00 C ATOM 295 O LEU A 20 -6.225 10.152 -1.292 1.00 0.00 O ATOM 296 CB LEU A 20 -4.218 8.157 -1.340 1.00 0.00 C ATOM 297 CG LEU A 20 -3.001 7.475 -1.983 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.844 7.462 -0.978 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.349 6.033 -2.400 1.00 0.00 C ATOM 0 H LEU A 20 -4.283 9.314 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.805 7.118 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.972 9.187 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.480 7.649 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.709 8.030 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.977 6.979 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.588 8.486 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.143 6.912 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.476 5.565 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.651 5.463 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.167 6.050 -3.120 1.00 0.00 H new ATOM 311 N ARG A 21 -7.755 8.602 -1.867 1.00 0.00 N ATOM 312 CA ARG A 21 -8.892 9.390 -1.386 1.00 0.00 C ATOM 313 C ARG A 21 -9.204 9.030 0.058 1.00 0.00 C ATOM 314 O ARG A 21 -9.152 7.861 0.439 1.00 0.00 O ATOM 315 CB ARG A 21 -10.125 9.116 -2.248 1.00 0.00 C ATOM 316 CG ARG A 21 -9.846 9.541 -3.690 1.00 0.00 C ATOM 317 CD ARG A 21 -11.124 9.394 -4.515 1.00 0.00 C ATOM 318 NE ARG A 21 -11.526 7.990 -4.573 1.00 0.00 N ATOM 319 CZ ARG A 21 -12.750 7.637 -4.960 1.00 0.00 C ATOM 320 NH1 ARG A 21 -13.083 6.376 -4.997 1.00 0.00 N ATOM 321 NH2 ARG A 21 -13.616 8.550 -5.303 1.00 0.00 N ATOM 0 H ARG A 21 -8.006 7.698 -2.266 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.632 10.447 -1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.378 8.056 -2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.984 9.662 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.499 10.574 -3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.052 8.927 -4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.922 9.991 -4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.961 9.776 -5.523 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.856 7.267 -4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.406 5.662 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.021 6.105 -5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.356 9.536 -5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.553 8.278 -5.599 1.00 0.00 H new ATOM 335 N PHE A 22 -9.531 10.042 0.863 1.00 0.00 N ATOM 336 CA PHE A 22 -9.861 9.835 2.279 1.00 0.00 C ATOM 337 C PHE A 22 -11.366 9.961 2.491 1.00 0.00 C ATOM 338 O PHE A 22 -11.951 11.015 2.243 1.00 0.00 O ATOM 339 CB PHE A 22 -9.120 10.867 3.134 1.00 0.00 C ATOM 340 CG PHE A 22 -9.570 12.259 2.748 1.00 0.00 C ATOM 341 CD1 PHE A 22 -10.556 12.917 3.494 1.00 0.00 C ATOM 342 CD2 PHE A 22 -9.002 12.887 1.633 1.00 0.00 C ATOM 343 CE1 PHE A 22 -10.973 14.201 3.128 1.00 0.00 C ATOM 344 CE2 PHE A 22 -9.419 14.172 1.266 1.00 0.00 C ATOM 345 CZ PHE A 22 -10.404 14.829 2.015 1.00 0.00 C ATOM 0 H PHE A 22 -9.575 11.015 0.561 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.550 8.833 2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.319 10.689 4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.044 10.768 2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -10.995 12.432 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.242 12.380 1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -11.734 14.707 3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.982 14.657 0.406 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.724 15.821 1.733 1.00 0.00 H new ATOM 355 N ASP A 23 -11.992 8.876 2.945 1.00 0.00 N ATOM 356 CA ASP A 23 -13.437 8.870 3.184 1.00 0.00 C ATOM 357 C ASP A 23 -13.732 9.322 4.612 1.00 0.00 C ATOM 358 O ASP A 23 -13.611 8.543 5.558 1.00 0.00 O ATOM 359 CB ASP A 23 -13.991 7.458 2.967 1.00 0.00 C ATOM 360 CG ASP A 23 -13.876 7.070 1.494 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.671 7.955 0.680 1.00 0.00 O ATOM 362 OD2 ASP A 23 -13.993 5.891 1.204 1.00 0.00 O ATOM 0 H ASP A 23 -11.525 7.993 3.154 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.915 9.558 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.443 6.745 3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.034 7.416 3.282 1.00 0.00 H new ATOM 367 N GLU A 24 -14.116 10.584 4.756 1.00 0.00 N ATOM 368 CA GLU A 24 -14.424 11.134 6.071 1.00 0.00 C ATOM 369 C GLU A 24 -15.628 10.424 6.678 1.00 0.00 C ATOM 370 O GLU A 24 -15.681 10.194 7.886 1.00 0.00 O ATOM 371 CB GLU A 24 -14.710 12.633 5.952 1.00 0.00 C ATOM 372 CG GLU A 24 -14.888 13.241 7.348 1.00 0.00 C ATOM 373 CD GLU A 24 -15.079 14.752 7.242 1.00 0.00 C ATOM 374 OE1 GLU A 24 -14.795 15.295 6.187 1.00 0.00 O ATOM 375 OE2 GLU A 24 -15.509 15.342 8.219 1.00 0.00 O ATOM 0 H GLU A 24 -14.221 11.243 3.984 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.564 10.981 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.890 13.129 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.609 12.795 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.750 12.792 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.016 13.019 7.964 1.00 0.00 H new ATOM 382 N VAL A 25 -16.599 10.089 5.836 1.00 0.00 N ATOM 383 CA VAL A 25 -17.803 9.416 6.307 1.00 0.00 C ATOM 384 C VAL A 25 -17.458 8.046 6.899 1.00 0.00 C ATOM 385 O VAL A 25 -17.968 7.674 7.955 1.00 0.00 O ATOM 386 CB VAL A 25 -18.814 9.270 5.142 1.00 0.00 C ATOM 387 CG1 VAL A 25 -19.529 10.609 4.897 1.00 0.00 C ATOM 388 CG2 VAL A 25 -18.082 8.856 3.855 1.00 0.00 C ATOM 0 H VAL A 25 -16.577 10.270 4.833 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.258 10.018 7.093 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.543 8.506 5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.238 10.498 4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -20.062 10.907 5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.794 11.372 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.802 8.756 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.345 9.616 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.579 7.902 4.013 1.00 0.00 H new ATOM 398 N ARG A 26 -16.586 7.303 6.219 1.00 0.00 N ATOM 399 CA ARG A 26 -16.171 5.977 6.687 1.00 0.00 C ATOM 400 C ARG A 26 -14.936 6.090 7.583 1.00 0.00 C ATOM 401 O ARG A 26 -14.508 5.112 8.197 1.00 0.00 O ATOM 402 CB ARG A 26 -15.865 5.084 5.478 1.00 0.00 C ATOM 403 CG ARG A 26 -17.161 4.748 4.736 1.00 0.00 C ATOM 404 CD ARG A 26 -16.833 3.906 3.504 1.00 0.00 C ATOM 405 NE ARG A 26 -18.060 3.548 2.798 1.00 0.00 N ATOM 406 CZ ARG A 26 -18.066 2.608 1.855 1.00 0.00 C ATOM 407 NH1 ARG A 26 -19.179 2.295 1.253 1.00 0.00 N ATOM 408 NH2 ARG A 26 -16.956 2.003 1.533 1.00 0.00 N ATOM 0 H ARG A 26 -16.152 7.594 5.343 1.00 0.00 H new ATOM 0 HA ARG A 26 -16.979 5.535 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.172 5.591 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.376 4.167 5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.839 4.203 5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.672 5.664 4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.171 4.462 2.840 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.300 3.003 3.803 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.929 4.027 3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -20.046 2.770 1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.183 1.575 0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.085 2.250 2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.959 1.283 0.811 1.00 0.00 H new ATOM 422 N ASN A 27 -14.370 7.291 7.654 1.00 0.00 N ATOM 423 CA ASN A 27 -13.190 7.531 8.480 1.00 0.00 C ATOM 424 C ASN A 27 -12.065 6.561 8.126 1.00 0.00 C ATOM 425 O ASN A 27 -11.319 6.117 9.000 1.00 0.00 O ATOM 426 CB ASN A 27 -13.550 7.377 9.960 1.00 0.00 C ATOM 427 CG ASN A 27 -12.364 7.770 10.840 1.00 0.00 C ATOM 428 OD1 ASN A 27 -11.324 8.354 10.306 1.00 0.00 O flip ATOM 429 ND2 ASN A 27 -12.383 7.531 12.047 1.00 0.00 N flip ATOM 0 H ASN A 27 -14.708 8.112 7.151 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.844 8.547 8.289 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.411 8.002 10.198 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.838 6.346 10.166 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.195 7.075 12.464 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.587 7.789 12.631 1.00 0.00 H new ATOM 436 N LYS A 28 -11.938 6.239 6.838 1.00 0.00 N ATOM 437 CA LYS A 28 -10.890 5.324 6.370 1.00 0.00 C ATOM 438 C LYS A 28 -10.399 5.754 4.991 1.00 0.00 C ATOM 439 O LYS A 28 -11.103 6.456 4.265 1.00 0.00 O ATOM 440 CB LYS A 28 -11.436 3.884 6.321 1.00 0.00 C ATOM 441 CG LYS A 28 -12.456 3.733 5.176 1.00 0.00 C ATOM 442 CD LYS A 28 -13.278 2.446 5.350 1.00 0.00 C ATOM 443 CE LYS A 28 -12.369 1.215 5.255 1.00 0.00 C ATOM 444 NZ LYS A 28 -13.212 -0.004 5.097 1.00 0.00 N ATOM 0 H LYS A 28 -12.545 6.596 6.100 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.050 5.357 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.614 3.182 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.908 3.635 7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.121 4.596 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.936 3.712 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.785 2.458 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.052 2.395 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.689 1.314 4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.753 1.133 6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.625 -0.789 4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.625 -0.262 6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.975 0.187 4.416 1.00 0.00 H new ATOM 458 N HIS A 29 -9.193 5.324 4.633 1.00 0.00 N ATOM 459 CA HIS A 29 -8.612 5.659 3.333 1.00 0.00 C ATOM 460 C HIS A 29 -8.916 4.559 2.330 1.00 0.00 C ATOM 461 O HIS A 29 -9.043 3.392 2.694 1.00 0.00 O ATOM 462 CB HIS A 29 -7.098 5.822 3.465 1.00 0.00 C ATOM 463 CG HIS A 29 -6.798 7.004 4.344 1.00 0.00 C ATOM 464 ND1 HIS A 29 -6.736 6.902 5.724 1.00 0.00 N ATOM 465 CD2 HIS A 29 -6.550 8.323 4.054 1.00 0.00 C ATOM 466 CE1 HIS A 29 -6.463 8.125 6.210 1.00 0.00 C ATOM 467 NE2 HIS A 29 -6.339 9.029 5.234 1.00 0.00 N ATOM 0 H HIS A 29 -8.598 4.743 5.223 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.047 6.596 2.985 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.659 4.919 3.889 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.649 5.963 2.482 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.523 8.748 3.061 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.357 8.350 7.261 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -6.134 10.023 5.333 1.00 0.00 H new ATOM 475 N VAL A 30 -9.036 4.941 1.062 1.00 0.00 N ATOM 476 CA VAL A 30 -9.330 3.985 -0.009 1.00 0.00 C ATOM 477 C VAL A 30 -8.463 4.283 -1.221 1.00 0.00 C ATOM 478 O VAL A 30 -7.992 5.406 -1.394 1.00 0.00 O ATOM 479 CB VAL A 30 -10.811 4.085 -0.395 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.684 3.789 0.830 1.00 0.00 C ATOM 481 CG2 VAL A 30 -11.124 5.496 -0.915 1.00 0.00 C ATOM 0 H VAL A 30 -8.935 5.906 0.747 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.115 2.976 0.343 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.023 3.358 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.736 3.861 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.472 2.783 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.466 4.512 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.178 5.558 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.906 6.227 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.510 5.705 -1.791 1.00 0.00 H new ATOM 491 N LEU A 31 -8.258 3.269 -2.062 1.00 0.00 N ATOM 492 CA LEU A 31 -7.443 3.422 -3.273 1.00 0.00 C ATOM 493 C LEU A 31 -8.340 3.552 -4.496 1.00 0.00 C ATOM 494 O LEU A 31 -9.134 2.660 -4.795 1.00 0.00 O ATOM 495 CB LEU A 31 -6.527 2.197 -3.436 1.00 0.00 C ATOM 496 CG LEU A 31 -5.525 2.399 -4.595 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.585 3.598 -4.316 1.00 0.00 C ATOM 498 CD2 LEU A 31 -4.700 1.111 -4.772 1.00 0.00 C ATOM 0 H LEU A 31 -8.643 2.334 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.836 4.323 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.983 2.020 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.132 1.310 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.079 2.615 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.890 3.717 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.177 4.506 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.025 3.416 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.990 1.243 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.159 0.896 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.367 0.280 -5.003 1.00 0.00 H new ATOM 510 N LEU A 32 -8.200 4.664 -5.212 1.00 0.00 N ATOM 511 CA LEU A 32 -8.994 4.893 -6.416 1.00 0.00 C ATOM 512 C LEU A 32 -8.425 4.063 -7.558 1.00 0.00 C ATOM 513 O LEU A 32 -7.430 4.442 -8.175 1.00 0.00 O ATOM 514 CB LEU A 32 -8.959 6.387 -6.777 1.00 0.00 C ATOM 515 CG LEU A 32 -9.735 6.672 -8.082 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.197 6.181 -7.981 1.00 0.00 C ATOM 517 CD2 LEU A 32 -9.712 8.186 -8.336 1.00 0.00 C ATOM 0 H LEU A 32 -7.550 5.415 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.028 4.596 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.389 6.970 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.924 6.711 -6.889 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.261 6.137 -8.905 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.718 6.395 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.208 5.107 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.697 6.694 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.255 8.409 -9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.184 8.702 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.680 8.523 -8.434 1.00 0.00 H new ATOM 529 N ALA A 33 -9.054 2.920 -7.832 1.00 0.00 N ATOM 530 CA ALA A 33 -8.594 2.029 -8.902 1.00 0.00 C ATOM 531 C ALA A 33 -9.389 2.286 -10.193 1.00 0.00 C ATOM 532 O ALA A 33 -10.585 2.569 -10.123 1.00 0.00 O ATOM 533 CB ALA A 33 -8.792 0.575 -8.469 1.00 0.00 C ATOM 0 H ALA A 33 -9.879 2.589 -7.332 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.538 2.222 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.451 -0.090 -9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.217 0.384 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.849 0.394 -8.273 1.00 0.00 H new ATOM 539 N PRO A 34 -8.788 2.181 -11.370 1.00 0.00 N ATOM 540 CA PRO A 34 -9.535 2.405 -12.645 1.00 0.00 C ATOM 541 C PRO A 34 -10.886 1.677 -12.668 1.00 0.00 C ATOM 542 O PRO A 34 -11.865 2.187 -13.212 1.00 0.00 O ATOM 543 CB PRO A 34 -8.595 1.825 -13.724 1.00 0.00 C ATOM 544 CG PRO A 34 -7.212 1.964 -13.158 1.00 0.00 C ATOM 545 CD PRO A 34 -7.358 1.866 -11.626 1.00 0.00 C ATOM 0 HA PRO A 34 -9.775 3.458 -12.792 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.832 0.782 -13.933 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.692 2.368 -14.664 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.556 1.180 -13.537 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.768 2.917 -13.446 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.100 0.870 -11.265 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.699 2.570 -11.118 1.00 0.00 H new ATOM 553 N GLU A 35 -10.920 0.475 -12.099 1.00 0.00 N ATOM 554 CA GLU A 35 -12.144 -0.321 -12.088 1.00 0.00 C ATOM 555 C GLU A 35 -13.177 0.282 -11.139 1.00 0.00 C ATOM 556 O GLU A 35 -14.360 0.353 -11.469 1.00 0.00 O ATOM 557 CB GLU A 35 -11.818 -1.753 -11.647 1.00 0.00 C ATOM 558 CG GLU A 35 -13.042 -2.656 -11.842 1.00 0.00 C ATOM 559 CD GLU A 35 -12.711 -4.078 -11.401 1.00 0.00 C ATOM 560 OE1 GLU A 35 -12.160 -4.228 -10.324 1.00 0.00 O ATOM 561 OE2 GLU A 35 -13.013 -4.995 -12.148 1.00 0.00 O ATOM 0 H GLU A 35 -10.121 0.034 -11.643 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.562 -0.328 -13.095 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.977 -2.137 -12.225 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.515 -1.759 -10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.883 -2.273 -11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.345 -2.652 -12.889 1.00 0.00 H new ATOM 568 N ARG A 36 -12.720 0.714 -9.964 1.00 0.00 N ATOM 569 CA ARG A 36 -13.614 1.305 -8.972 1.00 0.00 C ATOM 570 C ARG A 36 -12.813 1.829 -7.768 1.00 0.00 C ATOM 571 O ARG A 36 -11.949 2.692 -7.919 1.00 0.00 O ATOM 572 CB ARG A 36 -14.658 0.262 -8.526 1.00 0.00 C ATOM 573 CG ARG A 36 -13.969 -1.064 -8.164 1.00 0.00 C ATOM 574 CD ARG A 36 -15.017 -2.042 -7.633 1.00 0.00 C ATOM 575 NE ARG A 36 -15.559 -1.548 -6.372 1.00 0.00 N ATOM 576 CZ ARG A 36 -16.529 -2.195 -5.736 1.00 0.00 C ATOM 577 NH1 ARG A 36 -16.994 -1.725 -4.611 1.00 0.00 N ATOM 578 NH2 ARG A 36 -17.016 -3.296 -6.236 1.00 0.00 N ATOM 0 H ARG A 36 -11.742 0.666 -9.678 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.135 2.151 -9.421 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.213 0.638 -7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.381 0.097 -9.325 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.474 -1.482 -9.040 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.198 -0.894 -7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.818 -2.162 -8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.569 -3.025 -7.487 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.185 -0.688 -5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.613 -0.863 -4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.739 -2.220 -4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.652 -3.661 -7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.761 -3.792 -5.747 1.00 0.00 H new ATOM 592 N THR A 37 -13.104 1.295 -6.582 1.00 0.00 N ATOM 593 CA THR A 37 -12.419 1.692 -5.357 1.00 0.00 C ATOM 594 C THR A 37 -12.496 0.551 -4.347 1.00 0.00 C ATOM 595 O THR A 37 -13.572 0.019 -4.078 1.00 0.00 O ATOM 596 CB THR A 37 -13.081 2.947 -4.779 1.00 0.00 C ATOM 597 OG1 THR A 37 -12.959 4.012 -5.712 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.403 3.340 -3.462 1.00 0.00 C ATOM 0 H THR A 37 -13.818 0.579 -6.446 1.00 0.00 H new ATOM 0 HA THR A 37 -11.374 1.912 -5.576 1.00 0.00 H new ATOM 0 HB THR A 37 -14.134 2.742 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.839 4.217 -6.092 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.881 4.233 -3.059 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.498 2.524 -2.746 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.347 3.543 -3.643 1.00 0.00 H new ATOM 606 N PHE A 38 -11.338 0.175 -3.802 1.00 0.00 N ATOM 607 CA PHE A 38 -11.253 -0.918 -2.825 1.00 0.00 C ATOM 608 C PHE A 38 -11.157 -0.364 -1.411 1.00 0.00 C ATOM 609 O PHE A 38 -10.359 0.532 -1.137 1.00 0.00 O ATOM 610 CB PHE A 38 -10.013 -1.767 -3.124 1.00 0.00 C ATOM 611 CG PHE A 38 -10.178 -2.442 -4.471 1.00 0.00 C ATOM 612 CD1 PHE A 38 -9.722 -1.808 -5.636 1.00 0.00 C ATOM 613 CD2 PHE A 38 -10.790 -3.701 -4.558 1.00 0.00 C ATOM 614 CE1 PHE A 38 -9.878 -2.431 -6.881 1.00 0.00 C ATOM 615 CE2 PHE A 38 -10.944 -4.323 -5.803 1.00 0.00 C ATOM 616 CZ PHE A 38 -10.487 -3.689 -6.964 1.00 0.00 C ATOM 0 H PHE A 38 -10.442 0.611 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.152 -1.530 -2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.121 -1.140 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.875 -2.516 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.250 -0.839 -5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.143 -4.192 -3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.528 -1.941 -7.777 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.416 -5.292 -5.867 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.604 -4.170 -7.924 1.00 0.00 H new ATOM 626 N ASP A 39 -11.971 -0.908 -0.511 1.00 0.00 N ATOM 627 CA ASP A 39 -11.965 -0.465 0.878 1.00 0.00 C ATOM 628 C ASP A 39 -10.685 -0.920 1.575 1.00 0.00 C ATOM 629 O ASP A 39 -10.400 -2.115 1.652 1.00 0.00 O ATOM 630 CB ASP A 39 -13.183 -1.026 1.617 1.00 0.00 C ATOM 631 CG ASP A 39 -13.180 -2.550 1.559 1.00 0.00 C ATOM 632 OD1 ASP A 39 -12.430 -3.096 0.767 1.00 0.00 O ATOM 633 OD2 ASP A 39 -13.932 -3.150 2.309 1.00 0.00 O ATOM 0 H ASP A 39 -12.639 -1.651 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.009 0.624 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.172 -0.695 2.655 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.099 -0.640 1.169 1.00 0.00 H new ATOM 638 N LEU A 40 -9.914 0.047 2.076 1.00 0.00 N ATOM 639 CA LEU A 40 -8.648 -0.240 2.771 1.00 0.00 C ATOM 640 C LEU A 40 -8.562 0.562 4.063 1.00 0.00 C ATOM 641 O LEU A 40 -9.257 1.562 4.235 1.00 0.00 O ATOM 642 CB LEU A 40 -7.463 0.122 1.868 1.00 0.00 C ATOM 643 CG LEU A 40 -7.459 -0.762 0.602 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.386 -0.244 -0.366 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.171 -2.244 0.955 1.00 0.00 C ATOM 0 H LEU A 40 -10.141 1.040 2.015 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.614 -1.304 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.522 1.173 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.529 -0.010 2.414 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.443 -0.711 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.376 -0.863 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.610 0.787 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.409 -0.288 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.174 -2.842 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.196 -2.321 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.940 -2.612 1.634 1.00 0.00 H new ATOM 657 N ASP A 41 -7.710 0.104 4.976 1.00 0.00 N ATOM 658 CA ASP A 41 -7.531 0.771 6.266 1.00 0.00 C ATOM 659 C ASP A 41 -6.508 1.898 6.144 1.00 0.00 C ATOM 660 O ASP A 41 -5.646 1.876 5.265 1.00 0.00 O ATOM 661 CB ASP A 41 -7.052 -0.251 7.306 1.00 0.00 C ATOM 662 CG ASP A 41 -8.165 -1.252 7.618 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.283 -1.026 7.185 1.00 0.00 O ATOM 664 OD2 ASP A 41 -7.879 -2.232 8.287 1.00 0.00 O ATOM 0 H ASP A 41 -7.132 -0.726 4.848 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.484 1.196 6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.175 -0.778 6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.749 0.263 8.218 1.00 0.00 H new ATOM 669 N ASP A 42 -6.615 2.881 7.030 1.00 0.00 N ATOM 670 CA ASP A 42 -5.700 4.017 7.017 1.00 0.00 C ATOM 671 C ASP A 42 -4.261 3.537 7.164 1.00 0.00 C ATOM 672 O ASP A 42 -3.354 4.049 6.509 1.00 0.00 O ATOM 673 CB ASP A 42 -6.048 4.977 8.161 1.00 0.00 C ATOM 674 CG ASP A 42 -5.080 6.159 8.182 1.00 0.00 C ATOM 675 OD1 ASP A 42 -4.345 6.319 7.220 1.00 0.00 O ATOM 676 OD2 ASP A 42 -5.087 6.886 9.161 1.00 0.00 O ATOM 0 H ASP A 42 -7.323 2.915 7.764 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.801 4.540 6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.070 5.338 8.042 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.006 4.448 9.113 1.00 0.00 H new ATOM 681 N ASN A 43 -4.061 2.553 8.030 1.00 0.00 N ATOM 682 CA ASN A 43 -2.729 2.012 8.262 1.00 0.00 C ATOM 683 C ASN A 43 -2.191 1.358 6.990 1.00 0.00 C ATOM 684 O ASN A 43 -1.008 1.470 6.685 1.00 0.00 O ATOM 685 CB ASN A 43 -2.779 0.976 9.392 1.00 0.00 C ATOM 686 CG ASN A 43 -3.081 1.664 10.720 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.911 2.875 10.845 1.00 0.00 O ATOM 688 ND2 ASN A 43 -3.523 0.957 11.724 1.00 0.00 N ATOM 0 H ASN A 43 -4.800 2.115 8.581 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.065 2.828 8.546 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.544 0.229 9.178 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.827 0.448 9.455 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.728 1.409 12.615 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.663 -0.048 11.618 1.00 0.00 H new ATOM 695 N ALA A 44 -3.061 0.664 6.262 1.00 0.00 N ATOM 696 CA ALA A 44 -2.647 -0.017 5.036 1.00 0.00 C ATOM 697 C ALA A 44 -2.297 0.984 3.936 1.00 0.00 C ATOM 698 O ALA A 44 -1.333 0.787 3.195 1.00 0.00 O ATOM 699 CB ALA A 44 -3.770 -0.933 4.547 1.00 0.00 C ATOM 0 H ALA A 44 -4.048 0.558 6.495 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.758 -0.606 5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.456 -1.438 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.994 -1.675 5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.662 -0.340 4.346 1.00 0.00 H new ATOM 705 N VAL A 45 -3.083 2.056 3.825 1.00 0.00 N ATOM 706 CA VAL A 45 -2.836 3.075 2.800 1.00 0.00 C ATOM 707 C VAL A 45 -1.707 4.006 3.228 1.00 0.00 C ATOM 708 O VAL A 45 -0.988 4.548 2.390 1.00 0.00 O ATOM 709 CB VAL A 45 -4.107 3.896 2.558 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.854 4.930 1.449 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.239 2.958 2.137 1.00 0.00 C ATOM 0 H VAL A 45 -3.887 2.242 4.424 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.547 2.569 1.879 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.384 4.417 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.760 5.512 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.046 5.597 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.576 4.416 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.146 3.537 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.959 2.439 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.420 2.229 2.927 1.00 0.00 H new ATOM 721 N ALA A 46 -1.563 4.196 4.534 1.00 0.00 N ATOM 722 CA ALA A 46 -0.522 5.074 5.055 1.00 0.00 C ATOM 723 C ALA A 46 0.847 4.644 4.533 1.00 0.00 C ATOM 724 O ALA A 46 1.711 5.477 4.266 1.00 0.00 O ATOM 725 CB ALA A 46 -0.530 5.033 6.585 1.00 0.00 C ATOM 0 H ALA A 46 -2.148 3.759 5.246 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.720 6.092 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.249 5.690 6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.501 5.366 6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.344 4.013 6.923 1.00 0.00 H new ATOM 731 N VAL A 47 1.027 3.338 4.393 1.00 0.00 N ATOM 732 CA VAL A 47 2.287 2.787 3.903 1.00 0.00 C ATOM 733 C VAL A 47 2.582 3.296 2.493 1.00 0.00 C ATOM 734 O VAL A 47 3.704 3.703 2.191 1.00 0.00 O ATOM 735 CB VAL A 47 2.199 1.252 3.888 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.505 0.649 3.342 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.939 0.730 5.316 1.00 0.00 C ATOM 0 H VAL A 47 0.317 2.638 4.611 1.00 0.00 H new ATOM 0 HA VAL A 47 3.093 3.106 4.564 1.00 0.00 H new ATOM 0 HB VAL A 47 1.376 0.953 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.429 -0.438 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.674 1.006 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.338 0.952 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.877 -0.358 5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.755 1.038 5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.001 1.141 5.688 1.00 0.00 H new ATOM 747 N LEU A 48 1.570 3.247 1.627 1.00 0.00 N ATOM 748 CA LEU A 48 1.730 3.684 0.241 1.00 0.00 C ATOM 749 C LEU A 48 1.773 5.207 0.159 1.00 0.00 C ATOM 750 O LEU A 48 2.226 5.771 -0.838 1.00 0.00 O ATOM 751 CB LEU A 48 0.571 3.152 -0.608 1.00 0.00 C ATOM 752 CG LEU A 48 0.396 1.641 -0.382 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.762 1.141 -1.254 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.691 0.878 -0.743 1.00 0.00 C ATOM 0 H LEU A 48 0.635 2.911 1.859 1.00 0.00 H new ATOM 0 HA LEU A 48 2.671 3.289 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.349 3.675 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.763 3.349 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 48 0.178 1.460 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.896 0.070 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.678 1.664 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.537 1.333 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.544 -0.189 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.934 1.050 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.509 1.234 -0.117 1.00 0.00 H new ATOM 766 N LYS A 49 1.306 5.870 1.213 1.00 0.00 N ATOM 767 CA LYS A 49 1.307 7.336 1.264 1.00 0.00 C ATOM 768 C LYS A 49 2.605 7.854 1.886 1.00 0.00 C ATOM 769 O LYS A 49 3.101 8.919 1.514 1.00 0.00 O ATOM 770 CB LYS A 49 0.116 7.827 2.089 1.00 0.00 C ATOM 771 CG LYS A 49 0.036 9.358 2.032 1.00 0.00 C ATOM 772 CD LYS A 49 -1.288 9.840 2.645 1.00 0.00 C ATOM 773 CE LYS A 49 -1.375 9.452 4.129 1.00 0.00 C ATOM 774 NZ LYS A 49 -2.429 10.272 4.787 1.00 0.00 N ATOM 0 H LYS A 49 0.922 5.420 2.044 1.00 0.00 H new ATOM 0 HA LYS A 49 1.230 7.716 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.807 7.392 1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.219 7.498 3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.876 9.794 2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.112 9.696 0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.369 10.922 2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.126 9.404 2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.608 8.392 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.414 9.614 4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.493 10.014 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.187 11.280 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.344 10.096 4.326 1.00 0.00 H new ATOM 788 N LEU A 50 3.135 7.105 2.851 1.00 0.00 N ATOM 789 CA LEU A 50 4.358 7.505 3.542 1.00 0.00 C ATOM 790 C LEU A 50 5.569 7.392 2.618 1.00 0.00 C ATOM 791 O LEU A 50 6.522 8.164 2.732 1.00 0.00 O ATOM 792 CB LEU A 50 4.567 6.603 4.778 1.00 0.00 C ATOM 793 CG LEU A 50 5.660 7.195 5.722 1.00 0.00 C ATOM 794 CD1 LEU A 50 5.030 8.180 6.721 1.00 0.00 C ATOM 795 CD2 LEU A 50 6.345 6.065 6.514 1.00 0.00 C ATOM 0 H LEU A 50 2.738 6.221 3.171 1.00 0.00 H new ATOM 0 HA LEU A 50 4.257 8.545 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.628 6.501 5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.860 5.603 4.458 1.00 0.00 H new ATOM 0 HG LEU A 50 6.393 7.716 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.805 8.584 7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.553 8.995 6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.285 7.660 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.106 6.489 7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.602 5.539 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.813 5.366 5.820 1.00 0.00 H new ATOM 807 N VAL A 51 5.529 6.424 1.704 1.00 0.00 N ATOM 808 CA VAL A 51 6.632 6.220 0.766 1.00 0.00 C ATOM 809 C VAL A 51 6.646 7.320 -0.294 1.00 0.00 C ATOM 810 O VAL A 51 5.643 7.565 -0.963 1.00 0.00 O ATOM 811 CB VAL A 51 6.505 4.840 0.101 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.188 4.746 -0.685 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.689 4.616 -0.847 1.00 0.00 C ATOM 0 H VAL A 51 4.751 5.773 1.593 1.00 0.00 H new ATOM 0 HA VAL A 51 7.572 6.263 1.317 1.00 0.00 H new ATOM 0 HB VAL A 51 6.507 4.073 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.112 3.763 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.348 4.892 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.169 5.516 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.598 3.637 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.692 5.389 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.621 4.662 -0.283 1.00 0.00 H new ATOM 823 N ASP A 52 7.793 7.977 -0.442 1.00 0.00 N ATOM 824 CA ASP A 52 7.937 9.046 -1.429 1.00 0.00 C ATOM 825 C ASP A 52 7.966 8.470 -2.846 1.00 0.00 C ATOM 826 O ASP A 52 7.304 8.980 -3.750 1.00 0.00 O ATOM 827 CB ASP A 52 9.228 9.825 -1.157 1.00 0.00 C ATOM 828 CG ASP A 52 9.104 10.614 0.147 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.993 10.753 0.634 1.00 0.00 O ATOM 830 OD2 ASP A 52 10.123 11.066 0.641 1.00 0.00 O ATOM 0 H ASP A 52 8.633 7.790 0.105 1.00 0.00 H new ATOM 0 HA ASP A 52 7.082 9.717 -1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.071 9.136 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.432 10.505 -1.984 1.00 0.00 H new ATOM 835 N GLY A 53 8.743 7.399 -3.030 1.00 0.00 N ATOM 836 CA GLY A 53 8.873 6.739 -4.339 1.00 0.00 C ATOM 837 C GLY A 53 8.966 5.228 -4.163 1.00 0.00 C ATOM 838 O GLY A 53 7.960 4.564 -3.919 1.00 0.00 O ATOM 0 H GLY A 53 9.294 6.967 -2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.016 6.987 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.761 7.107 -4.853 1.00 0.00 H new ATOM 842 N ARG A 54 10.184 4.683 -4.280 1.00 0.00 N ATOM 843 CA ARG A 54 10.406 3.239 -4.111 1.00 0.00 C ATOM 844 C ARG A 54 11.272 2.985 -2.879 1.00 0.00 C ATOM 845 O ARG A 54 12.485 3.194 -2.913 1.00 0.00 O ATOM 846 CB ARG A 54 11.116 2.688 -5.350 1.00 0.00 C ATOM 847 CG ARG A 54 10.193 2.813 -6.563 1.00 0.00 C ATOM 848 CD ARG A 54 10.886 2.226 -7.794 1.00 0.00 C ATOM 849 NE ARG A 54 12.048 3.029 -8.154 1.00 0.00 N ATOM 850 CZ ARG A 54 12.827 2.691 -9.177 1.00 0.00 C ATOM 851 NH1 ARG A 54 13.866 3.421 -9.477 1.00 0.00 N ATOM 852 NH2 ARG A 54 12.553 1.627 -9.883 1.00 0.00 N ATOM 0 H ARG A 54 11.028 5.216 -4.490 1.00 0.00 H new ATOM 0 HA ARG A 54 9.445 2.741 -3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.042 3.236 -5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.388 1.644 -5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.256 2.289 -6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.944 3.860 -6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.194 1.200 -7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.188 2.190 -8.630 1.00 0.00 H new ATOM 0 HE ARG A 54 12.267 3.865 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.081 4.252 -8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.463 3.160 -10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.741 1.055 -9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.151 1.368 -10.668 1.00 0.00 H new ATOM 866 N ASN A 55 10.641 2.511 -1.799 1.00 0.00 N ATOM 867 CA ASN A 55 11.348 2.197 -0.545 1.00 0.00 C ATOM 868 C ASN A 55 11.241 0.709 -0.234 1.00 0.00 C ATOM 869 O ASN A 55 10.248 0.064 -0.570 1.00 0.00 O ATOM 870 CB ASN A 55 10.763 3.019 0.612 1.00 0.00 C ATOM 871 CG ASN A 55 11.133 4.492 0.446 1.00 0.00 C ATOM 872 OD1 ASN A 55 12.025 4.823 -0.335 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.503 5.399 1.142 1.00 0.00 N ATOM 0 H ASN A 55 9.637 2.335 -1.765 1.00 0.00 H new ATOM 0 HA ASN A 55 12.400 2.454 -0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.679 2.908 0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.143 2.645 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.750 6.383 1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.764 5.123 1.789 1.00 0.00 H new ATOM 880 N THR A 56 12.258 0.174 0.432 1.00 0.00 N ATOM 881 CA THR A 56 12.260 -1.236 0.813 1.00 0.00 C ATOM 882 C THR A 56 11.404 -1.432 2.058 1.00 0.00 C ATOM 883 O THR A 56 11.418 -0.601 2.965 1.00 0.00 O ATOM 884 CB THR A 56 13.691 -1.694 1.100 1.00 0.00 C ATOM 885 OG1 THR A 56 14.163 -1.049 2.276 1.00 0.00 O ATOM 886 CG2 THR A 56 14.590 -1.328 -0.081 1.00 0.00 C ATOM 0 H THR A 56 13.089 0.691 0.719 1.00 0.00 H new ATOM 0 HA THR A 56 11.850 -1.827 -0.006 1.00 0.00 H new ATOM 0 HB THR A 56 13.708 -2.774 1.245 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.079 -1.341 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.610 -1.654 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.225 -1.820 -0.982 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.577 -0.248 -0.227 1.00 0.00 H new ATOM 894 N VAL A 57 10.655 -2.529 2.099 1.00 0.00 N ATOM 895 CA VAL A 57 9.795 -2.809 3.244 1.00 0.00 C ATOM 896 C VAL A 57 10.598 -2.767 4.542 1.00 0.00 C ATOM 897 O VAL A 57 10.118 -2.277 5.563 1.00 0.00 O ATOM 898 CB VAL A 57 9.145 -4.185 3.080 1.00 0.00 C ATOM 899 CG1 VAL A 57 8.324 -4.200 1.787 1.00 0.00 C ATOM 900 CG2 VAL A 57 10.232 -5.270 3.016 1.00 0.00 C ATOM 0 H VAL A 57 10.625 -3.232 1.361 1.00 0.00 H new ATOM 0 HA VAL A 57 9.019 -2.045 3.291 1.00 0.00 H new ATOM 0 HB VAL A 57 8.494 -4.385 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.858 -5.177 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.551 -3.433 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.978 -4.000 0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.764 -6.247 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.888 -5.078 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.816 -5.255 3.936 1.00 0.00 H new ATOM 910 N SER A 58 11.821 -3.279 4.492 1.00 0.00 N ATOM 911 CA SER A 58 12.681 -3.288 5.667 1.00 0.00 C ATOM 912 C SER A 58 12.885 -1.871 6.198 1.00 0.00 C ATOM 913 O SER A 58 12.816 -1.636 7.402 1.00 0.00 O ATOM 914 CB SER A 58 14.035 -3.902 5.316 1.00 0.00 C ATOM 915 OG SER A 58 13.843 -5.237 4.867 1.00 0.00 O ATOM 0 H SER A 58 12.237 -3.691 3.657 1.00 0.00 H new ATOM 0 HA SER A 58 12.199 -3.886 6.441 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.525 -3.312 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.690 -3.890 6.187 1.00 0.00 H new ATOM 0 HG SER A 58 14.710 -5.633 4.639 1.00 0.00 H new ATOM 921 N GLN A 59 13.139 -0.930 5.290 1.00 0.00 N ATOM 922 CA GLN A 59 13.357 0.458 5.686 1.00 0.00 C ATOM 923 C GLN A 59 12.089 1.052 6.287 1.00 0.00 C ATOM 924 O GLN A 59 12.126 1.678 7.346 1.00 0.00 O ATOM 925 CB GLN A 59 13.783 1.283 4.468 1.00 0.00 C ATOM 926 CG GLN A 59 14.160 2.703 4.904 1.00 0.00 C ATOM 927 CD GLN A 59 14.661 3.495 3.702 1.00 0.00 C ATOM 928 OE1 GLN A 59 13.919 3.701 2.741 1.00 0.00 O ATOM 929 NE2 GLN A 59 15.882 3.952 3.698 1.00 0.00 N ATOM 0 H GLN A 59 13.198 -1.101 4.286 1.00 0.00 H new ATOM 0 HA GLN A 59 14.145 0.483 6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.631 0.808 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.971 1.320 3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.295 3.200 5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.931 2.665 5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.494 3.779 4.496 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.226 4.482 2.897 1.00 0.00 H new ATOM 938 N ILE A 60 10.966 0.846 5.608 1.00 0.00 N ATOM 939 CA ILE A 60 9.692 1.364 6.088 1.00 0.00 C ATOM 940 C ILE A 60 9.373 0.765 7.449 1.00 0.00 C ATOM 941 O ILE A 60 8.906 1.459 8.349 1.00 0.00 O ATOM 942 CB ILE A 60 8.565 1.030 5.100 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.927 1.566 3.702 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.257 1.678 5.580 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.921 1.046 2.671 1.00 0.00 C ATOM 0 H ILE A 60 10.912 0.328 4.731 1.00 0.00 H new ATOM 0 HA ILE A 60 9.769 2.448 6.175 1.00 0.00 H new ATOM 0 HB ILE A 60 8.436 -0.051 5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.925 2.656 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.935 1.251 3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.456 1.442 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.001 1.293 6.567 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.385 2.759 5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.181 1.428 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.945 -0.044 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.919 1.383 2.938 1.00 0.00 H new ATOM 957 N ALA A 61 9.617 -0.530 7.584 1.00 0.00 N ATOM 958 CA ALA A 61 9.341 -1.225 8.833 1.00 0.00 C ATOM 959 C ALA A 61 10.014 -0.530 10.014 1.00 0.00 C ATOM 960 O ALA A 61 9.417 -0.395 11.082 1.00 0.00 O ATOM 961 CB ALA A 61 9.830 -2.671 8.734 1.00 0.00 C ATOM 0 H ALA A 61 10.004 -1.119 6.847 1.00 0.00 H new ATOM 0 HA ALA A 61 8.264 -1.211 9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.623 -3.190 9.670 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.313 -3.175 7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.903 -2.680 8.544 1.00 0.00 H new ATOM 967 N GLN A 62 11.253 -0.098 9.824 1.00 0.00 N ATOM 968 CA GLN A 62 11.981 0.573 10.894 1.00 0.00 C ATOM 969 C GLN A 62 11.296 1.881 11.287 1.00 0.00 C ATOM 970 O GLN A 62 10.992 2.104 12.456 1.00 0.00 O ATOM 971 CB GLN A 62 13.416 0.871 10.435 1.00 0.00 C ATOM 972 CG GLN A 62 14.188 -0.438 10.226 1.00 0.00 C ATOM 973 CD GLN A 62 14.441 -1.126 11.563 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.212 -2.403 11.678 1.00 0.00 O flip ATOM 975 NE2 GLN A 62 14.859 -0.482 12.525 1.00 0.00 N flip ATOM 0 H GLN A 62 11.771 -0.198 8.951 1.00 0.00 H new ATOM 0 HA GLN A 62 11.996 -0.087 11.762 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.397 1.443 9.507 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.923 1.486 11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.623 -1.100 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.137 -0.233 9.730 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.037 0.518 12.431 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.027 -0.948 13.416 1.00 0.00 H new ATOM 984 N ILE A 63 11.072 2.752 10.309 1.00 0.00 N ATOM 985 CA ILE A 63 10.442 4.042 10.580 1.00 0.00 C ATOM 986 C ILE A 63 8.993 3.871 11.039 1.00 0.00 C ATOM 987 O ILE A 63 8.573 4.464 12.033 1.00 0.00 O ATOM 988 CB ILE A 63 10.482 4.915 9.313 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.938 5.066 8.835 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.899 6.303 9.626 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.966 5.724 7.451 1.00 0.00 C ATOM 0 H ILE A 63 11.314 2.592 9.331 1.00 0.00 H new ATOM 0 HA ILE A 63 10.997 4.527 11.383 1.00 0.00 H new ATOM 0 HB ILE A 63 9.891 4.441 8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 63 12.503 5.669 9.546 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.419 4.089 8.793 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.928 6.921 8.728 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.867 6.197 9.961 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.488 6.777 10.411 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.999 5.828 7.118 1.00 0.00 H new ATOM 0 HD12 ILE A 63 11.417 5.104 6.742 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.502 6.709 7.507 1.00 0.00 H new ATOM 1003 N LEU A 64 8.229 3.075 10.298 1.00 0.00 N ATOM 1004 CA LEU A 64 6.821 2.847 10.619 1.00 0.00 C ATOM 1005 C LEU A 64 6.680 2.022 11.897 1.00 0.00 C ATOM 1006 O LEU A 64 5.777 2.252 12.699 1.00 0.00 O ATOM 1007 CB LEU A 64 6.125 2.142 9.444 1.00 0.00 C ATOM 1008 CG LEU A 64 4.589 2.146 9.637 1.00 0.00 C ATOM 1009 CD1 LEU A 64 4.021 3.595 9.572 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.933 1.269 8.548 1.00 0.00 C ATOM 0 H LEU A 64 8.559 2.577 9.472 1.00 0.00 H new ATOM 0 HA LEU A 64 6.343 3.812 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.381 2.642 8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.484 1.116 9.365 1.00 0.00 H new ATOM 0 HG LEU A 64 4.360 1.739 10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.940 3.569 9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.473 4.199 10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.252 4.033 8.601 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.851 1.271 8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.177 1.668 7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.307 0.248 8.629 1.00 0.00 H new ATOM 1022 N GLY A 65 7.569 1.054 12.080 1.00 0.00 N ATOM 1023 CA GLY A 65 7.517 0.202 13.263 1.00 0.00 C ATOM 1024 C GLY A 65 7.555 1.041 14.537 1.00 0.00 C ATOM 1025 O GLY A 65 6.822 0.774 15.490 1.00 0.00 O ATOM 0 H GLY A 65 8.327 0.840 11.432 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.607 -0.398 13.245 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.357 -0.492 13.254 1.00 0.00 H new ATOM 1029 N GLN A 66 8.410 2.058 14.545 1.00 0.00 N ATOM 1030 CA GLN A 66 8.533 2.935 15.705 1.00 0.00 C ATOM 1031 C GLN A 66 7.246 3.734 15.917 1.00 0.00 C ATOM 1032 O GLN A 66 6.907 4.088 17.046 1.00 0.00 O ATOM 1033 CB GLN A 66 9.713 3.897 15.514 1.00 0.00 C ATOM 1034 CG GLN A 66 11.032 3.118 15.565 1.00 0.00 C ATOM 1035 CD GLN A 66 12.198 4.050 15.252 1.00 0.00 C ATOM 1036 OE1 GLN A 66 12.284 4.588 14.149 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.104 4.276 16.163 1.00 0.00 N ATOM 0 H GLN A 66 9.025 2.295 13.767 1.00 0.00 H new ATOM 0 HA GLN A 66 8.710 2.317 16.585 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.622 4.413 14.558 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.701 4.661 16.292 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.164 2.674 16.552 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.008 2.298 14.847 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.031 3.829 17.077 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.885 4.900 15.961 1.00 0.00 H new ATOM 1046 N THR A 67 6.537 4.023 14.828 1.00 0.00 N ATOM 1047 CA THR A 67 5.297 4.788 14.921 1.00 0.00 C ATOM 1048 C THR A 67 4.264 4.035 15.756 1.00 0.00 C ATOM 1049 O THR A 67 3.610 4.616 16.622 1.00 0.00 O ATOM 1050 CB THR A 67 4.733 5.055 13.518 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.763 5.573 12.688 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.585 6.066 13.600 1.00 0.00 C ATOM 0 H THR A 67 6.796 3.743 13.882 1.00 0.00 H new ATOM 0 HA THR A 67 5.516 5.739 15.406 1.00 0.00 H new ATOM 0 HB THR A 67 4.357 4.122 13.098 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.406 5.743 11.791 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.190 6.250 12.601 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.794 5.667 14.235 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.953 7.001 14.023 1.00 0.00 H new ATOM 1060 N TYR A 68 4.125 2.735 15.491 1.00 0.00 N ATOM 1061 CA TYR A 68 3.173 1.895 16.225 1.00 0.00 C ATOM 1062 C TYR A 68 3.838 1.279 17.452 1.00 0.00 C ATOM 1063 O TYR A 68 3.216 0.512 18.187 1.00 0.00 O ATOM 1064 CB TYR A 68 2.654 0.778 15.310 1.00 0.00 C ATOM 1065 CG TYR A 68 1.813 1.377 14.202 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.379 1.633 12.948 1.00 0.00 C ATOM 1067 CD2 TYR A 68 0.465 1.678 14.434 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.598 2.185 11.928 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.316 2.232 13.412 1.00 0.00 C ATOM 1070 CZ TYR A 68 0.252 2.486 12.159 1.00 0.00 C ATOM 1071 OH TYR A 68 -0.515 3.032 11.151 1.00 0.00 O ATOM 0 H TYR A 68 4.658 2.240 14.775 1.00 0.00 H new ATOM 0 HA TYR A 68 2.340 2.518 16.551 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.491 0.224 14.886 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.061 0.068 15.887 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.419 1.404 12.768 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.027 1.483 15.402 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.035 2.379 10.960 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.356 2.463 13.591 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.419 3.209 11.487 1.00 0.00 H new ATOM 1081 N ASP A 69 5.103 1.621 17.671 1.00 0.00 N ATOM 1082 CA ASP A 69 5.836 1.097 18.819 1.00 0.00 C ATOM 1083 C ASP A 69 5.788 -0.429 18.845 1.00 0.00 C ATOM 1084 O ASP A 69 5.456 -1.032 19.865 1.00 0.00 O ATOM 1085 CB ASP A 69 5.240 1.650 20.116 1.00 0.00 C ATOM 1086 CG ASP A 69 6.104 1.245 21.310 1.00 0.00 C ATOM 1087 OD1 ASP A 69 7.020 0.459 21.119 1.00 0.00 O ATOM 1088 OD2 ASP A 69 5.836 1.726 22.398 1.00 0.00 O ATOM 0 H ASP A 69 5.639 2.253 17.075 1.00 0.00 H new ATOM 0 HA ASP A 69 6.876 1.411 18.731 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.172 2.736 20.059 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.226 1.274 20.248 1.00 0.00 H new ATOM 1093 N ALA A 70 6.121 -1.048 17.710 1.00 0.00 N ATOM 1094 CA ALA A 70 6.114 -2.512 17.588 1.00 0.00 C ATOM 1095 C ALA A 70 7.298 -2.979 16.744 1.00 0.00 C ATOM 1096 O ALA A 70 7.909 -2.190 16.022 1.00 0.00 O ATOM 1097 CB ALA A 70 4.806 -2.971 16.941 1.00 0.00 C ATOM 0 H ALA A 70 6.400 -0.559 16.859 1.00 0.00 H new ATOM 0 HA ALA A 70 6.198 -2.948 18.584 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.805 -4.057 16.853 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.965 -2.657 17.559 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.715 -2.526 15.950 1.00 0.00 H new ATOM 1103 N ASP A 71 7.625 -4.263 16.853 1.00 0.00 N ATOM 1104 CA ASP A 71 8.747 -4.823 16.105 1.00 0.00 C ATOM 1105 C ASP A 71 8.571 -4.570 14.596 1.00 0.00 C ATOM 1106 O ASP A 71 7.450 -4.621 14.097 1.00 0.00 O ATOM 1107 CB ASP A 71 8.838 -6.332 16.369 1.00 0.00 C ATOM 1108 CG ASP A 71 9.273 -6.591 17.810 1.00 0.00 C ATOM 1109 OD1 ASP A 71 10.145 -5.879 18.280 1.00 0.00 O ATOM 1110 OD2 ASP A 71 8.728 -7.495 18.420 1.00 0.00 O ATOM 0 H ASP A 71 7.134 -4.931 17.447 1.00 0.00 H new ATOM 0 HA ASP A 71 9.665 -4.337 16.435 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.871 -6.800 16.184 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.549 -6.787 15.680 1.00 0.00 H new ATOM 1115 N PRO A 72 9.638 -4.300 13.861 1.00 0.00 N ATOM 1116 CA PRO A 72 9.555 -4.032 12.384 1.00 0.00 C ATOM 1117 C PRO A 72 9.197 -5.290 11.585 1.00 0.00 C ATOM 1118 O PRO A 72 8.549 -5.214 10.542 1.00 0.00 O ATOM 1119 CB PRO A 72 10.972 -3.524 12.038 1.00 0.00 C ATOM 1120 CG PRO A 72 11.851 -4.198 13.042 1.00 0.00 C ATOM 1121 CD PRO A 72 11.034 -4.228 14.335 1.00 0.00 C ATOM 0 HA PRO A 72 8.769 -3.320 12.132 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.254 -3.789 11.019 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.037 -2.439 12.115 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.116 -5.205 12.720 1.00 0.00 H new ATOM 0 HG3 PRO A 72 12.784 -3.651 13.178 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.293 -5.088 14.953 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.207 -3.338 14.939 1.00 0.00 H new ATOM 1129 N ALA A 73 9.628 -6.446 12.078 1.00 0.00 N ATOM 1130 CA ALA A 73 9.349 -7.703 11.392 1.00 0.00 C ATOM 1131 C ALA A 73 7.853 -7.854 11.135 1.00 0.00 C ATOM 1132 O ALA A 73 7.436 -8.427 10.128 1.00 0.00 O ATOM 1133 CB ALA A 73 9.842 -8.879 12.235 1.00 0.00 C ATOM 0 H ALA A 73 10.166 -6.539 12.940 1.00 0.00 H new ATOM 0 HA ALA A 73 9.872 -7.695 10.436 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.630 -9.813 11.715 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.917 -8.788 12.393 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.332 -8.875 13.198 1.00 0.00 H new ATOM 1139 N ILE A 74 7.054 -7.343 12.063 1.00 0.00 N ATOM 1140 CA ILE A 74 5.604 -7.425 11.949 1.00 0.00 C ATOM 1141 C ILE A 74 5.089 -6.552 10.804 1.00 0.00 C ATOM 1142 O ILE A 74 4.218 -6.971 10.045 1.00 0.00 O ATOM 1143 CB ILE A 74 4.949 -6.969 13.264 1.00 0.00 C ATOM 1144 CG1 ILE A 74 5.507 -7.795 14.438 1.00 0.00 C ATOM 1145 CG2 ILE A 74 3.427 -7.172 13.175 1.00 0.00 C ATOM 1146 CD1 ILE A 74 5.043 -7.187 15.765 1.00 0.00 C ATOM 0 H ILE A 74 7.386 -6.868 12.902 1.00 0.00 H new ATOM 0 HA ILE A 74 5.343 -8.463 11.742 1.00 0.00 H new ATOM 0 HB ILE A 74 5.169 -5.914 13.428 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.167 -8.828 14.362 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.596 -7.814 14.397 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.962 -6.849 14.106 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.029 -6.584 12.348 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.210 -8.227 13.008 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.440 -7.774 16.593 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.404 -6.162 15.842 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.954 -7.192 15.806 1.00 0.00 H new ATOM 1158 N ILE A 75 5.605 -5.326 10.699 1.00 0.00 N ATOM 1159 CA ILE A 75 5.147 -4.402 9.656 1.00 0.00 C ATOM 1160 C ILE A 75 5.434 -4.955 8.261 1.00 0.00 C ATOM 1161 O ILE A 75 4.555 -4.957 7.401 1.00 0.00 O ATOM 1162 CB ILE A 75 5.849 -3.027 9.826 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.203 -2.240 10.984 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.746 -2.179 8.530 1.00 0.00 C ATOM 1165 CD1 ILE A 75 5.301 -3.035 12.291 1.00 0.00 C ATOM 0 H ILE A 75 6.329 -4.952 11.312 1.00 0.00 H new ATOM 0 HA ILE A 75 4.069 -4.281 9.761 1.00 0.00 H new ATOM 0 HB ILE A 75 6.900 -3.219 10.043 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.700 -1.277 11.099 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.158 -2.034 10.754 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.247 -1.222 8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.222 -2.712 7.707 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.697 -2.006 8.291 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.841 -2.466 13.098 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.783 -3.987 12.177 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.349 -3.218 12.528 1.00 0.00 H new ATOM 1177 N GLU A 76 6.665 -5.395 8.031 1.00 0.00 N ATOM 1178 CA GLU A 76 7.024 -5.906 6.719 1.00 0.00 C ATOM 1179 C GLU A 76 6.187 -7.133 6.385 1.00 0.00 C ATOM 1180 O GLU A 76 5.650 -7.250 5.284 1.00 0.00 O ATOM 1181 CB GLU A 76 8.523 -6.234 6.658 1.00 0.00 C ATOM 1182 CG GLU A 76 8.900 -7.210 7.775 1.00 0.00 C ATOM 1183 CD GLU A 76 10.416 -7.364 7.845 1.00 0.00 C ATOM 1184 OE1 GLU A 76 10.936 -8.238 7.169 1.00 0.00 O ATOM 1185 OE2 GLU A 76 11.036 -6.608 8.575 1.00 0.00 O ATOM 0 H GLU A 76 7.416 -5.408 8.721 1.00 0.00 H new ATOM 0 HA GLU A 76 6.817 -5.135 5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.768 -6.668 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.107 -5.318 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.519 -6.848 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.436 -8.179 7.594 1.00 0.00 H new ATOM 1192 N ALA A 77 6.070 -8.035 7.349 1.00 0.00 N ATOM 1193 CA ALA A 77 5.290 -9.251 7.167 1.00 0.00 C ATOM 1194 C ALA A 77 3.807 -8.938 6.982 1.00 0.00 C ATOM 1195 O ALA A 77 3.068 -9.741 6.419 1.00 0.00 O ATOM 1196 CB ALA A 77 5.477 -10.174 8.371 1.00 0.00 C ATOM 0 H ALA A 77 6.506 -7.947 8.267 1.00 0.00 H new ATOM 0 HA ALA A 77 5.647 -9.748 6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.891 -11.082 8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.531 -10.434 8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.143 -9.665 9.275 1.00 0.00 H new ATOM 1202 N ASP A 78 3.368 -7.781 7.484 1.00 0.00 N ATOM 1203 CA ASP A 78 1.959 -7.387 7.375 1.00 0.00 C ATOM 1204 C ASP A 78 1.642 -6.852 5.978 1.00 0.00 C ATOM 1205 O ASP A 78 0.663 -7.257 5.356 1.00 0.00 O ATOM 1206 CB ASP A 78 1.637 -6.312 8.420 1.00 0.00 C ATOM 1207 CG ASP A 78 0.137 -6.019 8.440 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.561 -6.523 7.574 1.00 0.00 O ATOM 1209 OD2 ASP A 78 -0.293 -5.300 9.327 1.00 0.00 O ATOM 0 H ASP A 78 3.961 -7.105 7.966 1.00 0.00 H new ATOM 0 HA ASP A 78 1.346 -8.270 7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.962 -6.645 9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.189 -5.400 8.194 1.00 0.00 H new ATOM 1214 N ILE A 79 2.467 -5.921 5.499 1.00 0.00 N ATOM 1215 CA ILE A 79 2.264 -5.319 4.177 1.00 0.00 C ATOM 1216 C ILE A 79 2.651 -6.289 3.053 1.00 0.00 C ATOM 1217 O ILE A 79 1.977 -6.355 2.028 1.00 0.00 O ATOM 1218 CB ILE A 79 3.057 -4.009 4.074 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.565 -4.308 4.133 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.654 -3.102 5.249 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.377 -3.005 4.200 1.00 0.00 C ATOM 0 H ILE A 79 3.280 -5.567 6.003 1.00 0.00 H new ATOM 0 HA ILE A 79 1.203 -5.098 4.058 1.00 0.00 H new ATOM 0 HB ILE A 79 2.838 -3.511 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.784 -4.924 5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.861 -4.882 3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.208 -2.165 5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.585 -2.895 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.883 -3.602 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.440 -3.241 4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.173 -2.403 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.095 -2.446 5.092 1.00 0.00 H new ATOM 1233 N LEU A 80 3.747 -7.037 3.243 1.00 0.00 N ATOM 1234 CA LEU A 80 4.212 -7.996 2.225 1.00 0.00 C ATOM 1235 C LEU A 80 3.025 -8.767 1.596 1.00 0.00 C ATOM 1236 O LEU A 80 2.811 -8.674 0.386 1.00 0.00 O ATOM 1237 CB LEU A 80 5.250 -8.982 2.847 1.00 0.00 C ATOM 1238 CG LEU A 80 6.706 -8.441 2.722 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.615 -9.171 3.727 1.00 0.00 C ATOM 1240 CD2 LEU A 80 7.260 -8.662 1.294 1.00 0.00 C ATOM 0 H LEU A 80 4.325 -6.999 4.083 1.00 0.00 H new ATOM 0 HA LEU A 80 4.699 -7.436 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.012 -9.146 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.177 -9.949 2.349 1.00 0.00 H new ATOM 0 HG LEU A 80 6.690 -7.372 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.633 -8.792 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.250 -8.999 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.606 -10.240 3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.277 -8.275 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.263 -9.728 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.630 -8.139 0.574 1.00 0.00 H new ATOM 1252 N PRO A 81 2.251 -9.509 2.365 1.00 0.00 N ATOM 1253 CA PRO A 81 1.081 -10.269 1.817 1.00 0.00 C ATOM 1254 C PRO A 81 0.025 -9.325 1.227 1.00 0.00 C ATOM 1255 O PRO A 81 -0.694 -9.690 0.298 1.00 0.00 O ATOM 1256 CB PRO A 81 0.541 -11.039 3.048 1.00 0.00 C ATOM 1257 CG PRO A 81 0.996 -10.225 4.215 1.00 0.00 C ATOM 1258 CD PRO A 81 2.383 -9.716 3.819 1.00 0.00 C ATOM 0 HA PRO A 81 1.353 -10.931 0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.545 -11.124 3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.939 -12.053 3.090 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.313 -9.399 4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.040 -10.826 5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.638 -8.792 4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.163 -10.440 4.056 1.00 0.00 H new ATOM 1266 N MET A 82 -0.064 -8.116 1.781 1.00 0.00 N ATOM 1267 CA MET A 82 -1.040 -7.138 1.302 1.00 0.00 C ATOM 1268 C MET A 82 -0.697 -6.692 -0.117 1.00 0.00 C ATOM 1269 O MET A 82 -1.583 -6.519 -0.951 1.00 0.00 O ATOM 1270 CB MET A 82 -1.079 -5.917 2.242 1.00 0.00 C ATOM 1271 CG MET A 82 -2.280 -5.020 1.907 1.00 0.00 C ATOM 1272 SD MET A 82 -3.810 -5.847 2.410 1.00 0.00 S ATOM 1273 CE MET A 82 -4.888 -4.400 2.300 1.00 0.00 C ATOM 0 H MET A 82 0.520 -7.793 2.552 1.00 0.00 H new ATOM 0 HA MET A 82 -2.023 -7.609 1.293 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.144 -6.250 3.278 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.154 -5.348 2.147 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.186 -4.062 2.419 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.303 -4.809 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.218 -4.115 3.299 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.341 -3.572 1.849 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.756 -4.639 1.686 1.00 0.00 H new ATOM 1283 N LEU A 83 0.592 -6.492 -0.378 1.00 0.00 N ATOM 1284 CA LEU A 83 1.034 -6.046 -1.696 1.00 0.00 C ATOM 1285 C LEU A 83 0.674 -7.082 -2.755 1.00 0.00 C ATOM 1286 O LEU A 83 0.231 -6.731 -3.849 1.00 0.00 O ATOM 1287 CB LEU A 83 2.551 -5.815 -1.692 1.00 0.00 C ATOM 1288 CG LEU A 83 2.925 -4.663 -0.734 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.449 -4.643 -0.542 1.00 0.00 C ATOM 1290 CD2 LEU A 83 2.464 -3.295 -1.291 1.00 0.00 C ATOM 0 H LEU A 83 1.343 -6.630 0.299 1.00 0.00 H new ATOM 0 HA LEU A 83 0.529 -5.109 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.062 -6.728 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.891 -5.581 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 83 2.422 -4.831 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.720 -3.832 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.775 -5.593 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.935 -4.490 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.742 -2.505 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.943 -3.114 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.382 -3.301 -1.420 1.00 0.00 H new ATOM 1302 N ALA A 84 0.856 -8.354 -2.424 1.00 0.00 N ATOM 1303 CA ALA A 84 0.530 -9.424 -3.359 1.00 0.00 C ATOM 1304 C ALA A 84 -0.961 -9.379 -3.693 1.00 0.00 C ATOM 1305 O ALA A 84 -1.360 -9.608 -4.835 1.00 0.00 O ATOM 1306 CB ALA A 84 0.877 -10.782 -2.743 1.00 0.00 C ATOM 0 H ALA A 84 1.223 -8.668 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 84 1.111 -9.287 -4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.630 -11.575 -3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.943 -10.817 -2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.306 -10.922 -1.825 1.00 0.00 H new ATOM 1312 N GLY A 85 -1.775 -9.080 -2.682 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.222 -9.004 -2.864 1.00 0.00 C ATOM 1314 C GLY A 85 -3.601 -7.851 -3.787 1.00 0.00 C ATOM 1315 O GLY A 85 -4.494 -7.980 -4.623 1.00 0.00 O ATOM 0 H GLY A 85 -1.458 -8.887 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.589 -9.942 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.707 -8.873 -1.896 1.00 0.00 H new ATOM 1319 N LEU A 86 -2.920 -6.720 -3.628 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.195 -5.549 -4.453 1.00 0.00 C ATOM 1321 C LEU A 86 -2.804 -5.819 -5.904 1.00 0.00 C ATOM 1322 O LEU A 86 -3.489 -5.394 -6.830 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.417 -4.336 -3.923 1.00 0.00 C ATOM 1324 CG LEU A 86 -2.952 -3.920 -2.535 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -2.011 -2.868 -1.928 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.393 -3.344 -2.632 1.00 0.00 C ATOM 0 H LEU A 86 -2.178 -6.590 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.263 -5.336 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.356 -4.578 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.509 -3.503 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.988 -4.804 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.383 -2.570 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.012 -3.291 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.970 -1.996 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.739 -3.061 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.391 -2.467 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.060 -4.100 -3.047 1.00 0.00 H new ATOM 1338 N ALA A 87 -1.695 -6.524 -6.097 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.228 -6.832 -7.446 1.00 0.00 C ATOM 1340 C ALA A 87 -2.336 -7.490 -8.267 1.00 0.00 C ATOM 1341 O ALA A 87 -2.454 -7.256 -9.469 1.00 0.00 O ATOM 1342 CB ALA A 87 -0.020 -7.769 -7.378 1.00 0.00 C ATOM 0 H ALA A 87 -1.108 -6.890 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.941 -5.898 -7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.323 -7.994 -8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.783 -7.287 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.305 -8.694 -6.877 1.00 0.00 H new ATOM 1348 N GLN A 88 -3.144 -8.312 -7.606 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.242 -8.999 -8.278 1.00 0.00 C ATOM 1350 C GLN A 88 -5.239 -7.993 -8.845 1.00 0.00 C ATOM 1351 O GLN A 88 -6.010 -8.314 -9.751 1.00 0.00 O ATOM 1352 CB GLN A 88 -4.961 -9.924 -7.290 1.00 0.00 C ATOM 1353 CG GLN A 88 -4.015 -11.041 -6.845 1.00 0.00 C ATOM 1354 CD GLN A 88 -4.703 -11.915 -5.802 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -5.879 -11.712 -5.498 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -4.038 -12.881 -5.230 1.00 0.00 N ATOM 0 H GLN A 88 -3.061 -8.518 -6.611 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.829 -9.587 -9.097 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.299 -9.354 -6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.849 -10.351 -7.757 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.722 -11.646 -7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.102 -10.613 -6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.064 -13.049 -5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.492 -13.468 -4.531 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.230 -6.777 -8.297 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.148 -5.721 -8.739 1.00 0.00 C ATOM 1367 C LYS A 89 -5.483 -4.866 -9.815 1.00 0.00 C ATOM 1368 O LYS A 89 -6.112 -3.984 -10.400 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.523 -4.838 -7.547 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.214 -5.688 -6.480 1.00 0.00 C ATOM 1371 CD LYS A 89 -7.531 -4.821 -5.263 1.00 0.00 C ATOM 1372 CE LYS A 89 -8.273 -5.658 -4.221 1.00 0.00 C ATOM 1373 NZ LYS A 89 -7.392 -6.768 -3.760 1.00 0.00 N ATOM 0 H LYS A 89 -4.598 -6.497 -7.547 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.046 -6.180 -9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.630 -4.370 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.184 -4.034 -7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.131 -6.119 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.571 -6.519 -6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.610 -4.423 -4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.140 -3.967 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.562 -5.034 -3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.191 -6.061 -4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.742 -7.135 -2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.397 -7.531 -4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.422 -6.414 -3.640 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.206 -5.146 -10.072 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.445 -4.416 -11.085 1.00 0.00 C ATOM 1389 C ARG A 90 -3.271 -2.951 -10.676 1.00 0.00 C ATOM 1390 O ARG A 90 -3.046 -2.082 -11.517 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.173 -4.510 -12.448 1.00 0.00 C ATOM 1392 CG ARG A 90 -3.188 -4.280 -13.609 1.00 0.00 C ATOM 1393 CD ARG A 90 -3.957 -4.178 -14.929 1.00 0.00 C ATOM 1394 NE ARG A 90 -4.608 -5.446 -15.234 1.00 0.00 N ATOM 1395 CZ ARG A 90 -5.353 -5.591 -16.325 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -5.932 -6.734 -16.571 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -5.508 -4.592 -17.149 1.00 0.00 N ATOM 0 H ARG A 90 -3.676 -5.874 -9.592 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.455 -4.864 -11.175 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.640 -5.490 -12.550 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.972 -3.770 -12.491 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.617 -3.367 -13.438 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.471 -5.100 -13.658 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.702 -3.385 -14.863 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.275 -3.908 -15.735 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.490 -6.236 -14.599 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.813 -7.515 -15.926 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.504 -6.846 -17.408 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.057 -3.698 -16.957 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.080 -4.705 -17.986 1.00 0.00 H new ATOM 1411 N VAL A 91 -3.381 -2.677 -9.377 1.00 0.00 N ATOM 1412 CA VAL A 91 -3.239 -1.307 -8.865 1.00 0.00 C ATOM 1413 C VAL A 91 -1.814 -1.062 -8.375 1.00 0.00 C ATOM 1414 O VAL A 91 -1.406 0.081 -8.171 1.00 0.00 O ATOM 1415 CB VAL A 91 -4.232 -1.077 -7.718 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.655 -1.376 -8.207 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -3.887 -1.994 -6.530 1.00 0.00 C ATOM 0 H VAL A 91 -3.567 -3.378 -8.660 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.452 -0.608 -9.674 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.170 -0.039 -7.392 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.361 -1.213 -7.393 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.900 -0.715 -9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.716 -2.413 -8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.597 -1.824 -5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.941 -3.036 -6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.879 -1.773 -6.180 1.00 0.00 H new ATOM 1427 N LEU A 92 -1.057 -2.147 -8.194 1.00 0.00 N ATOM 1428 CA LEU A 92 0.335 -2.059 -7.731 1.00 0.00 C ATOM 1429 C LEU A 92 1.279 -2.246 -8.902 1.00 0.00 C ATOM 1430 O LEU A 92 0.967 -2.940 -9.869 1.00 0.00 O ATOM 1431 CB LEU A 92 0.600 -3.135 -6.666 1.00 0.00 C ATOM 1432 CG LEU A 92 2.004 -2.970 -6.038 1.00 0.00 C ATOM 1433 CD1 LEU A 92 2.127 -1.629 -5.267 1.00 0.00 C ATOM 1434 CD2 LEU A 92 2.249 -4.148 -5.084 1.00 0.00 C ATOM 0 H LEU A 92 -1.383 -3.099 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 92 0.504 -1.076 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.159 -3.073 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.514 -4.124 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 92 2.750 -2.959 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.126 -1.546 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.956 -0.799 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.386 -1.599 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.235 -4.050 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.489 -4.148 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.197 -5.084 -5.641 1.00 0.00 H new ATOM 1446 N GLU A 93 2.432 -1.597 -8.813 1.00 0.00 N ATOM 1447 CA GLU A 93 3.434 -1.655 -9.868 1.00 0.00 C ATOM 1448 C GLU A 93 4.827 -1.680 -9.252 1.00 0.00 C ATOM 1449 O GLU A 93 5.056 -1.095 -8.193 1.00 0.00 O ATOM 1450 CB GLU A 93 3.263 -0.421 -10.753 1.00 0.00 C ATOM 1451 CG GLU A 93 4.111 -0.540 -12.020 1.00 0.00 C ATOM 1452 CD GLU A 93 3.537 -1.611 -12.944 1.00 0.00 C ATOM 1453 OE1 GLU A 93 3.929 -2.758 -12.804 1.00 0.00 O ATOM 1454 OE2 GLU A 93 2.711 -1.267 -13.773 1.00 0.00 O ATOM 0 H GLU A 93 2.698 -1.020 -8.015 1.00 0.00 H new ATOM 0 HA GLU A 93 3.310 -2.558 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.213 -0.304 -11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.552 0.472 -10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.140 0.419 -12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.138 -0.791 -11.756 1.00 0.00 H new ATOM 1461 N ARG A 94 5.743 -2.368 -9.919 1.00 0.00 N ATOM 1462 CA ARG A 94 7.112 -2.483 -9.433 1.00 0.00 C ATOM 1463 C ARG A 94 7.978 -3.179 -10.473 1.00 0.00 C ATOM 1464 O ARG A 94 7.480 -4.092 -11.114 1.00 0.00 O ATOM 1465 CB ARG A 94 7.136 -3.291 -8.121 1.00 0.00 C ATOM 1466 CG ARG A 94 8.599 -3.490 -7.607 1.00 0.00 C ATOM 1467 CD ARG A 94 9.096 -4.915 -7.906 1.00 0.00 C ATOM 1468 NE ARG A 94 8.311 -5.885 -7.150 1.00 0.00 N ATOM 1469 CZ ARG A 94 8.511 -7.192 -7.284 1.00 0.00 C ATOM 1470 NH1 ARG A 94 7.790 -8.035 -6.598 1.00 0.00 N ATOM 1471 NH2 ARG A 94 9.426 -7.635 -8.103 1.00 0.00 N ATOM 1472 OXT ARG A 94 9.124 -2.790 -10.619 1.00 0.00 O ATOM 0 H ARG A 94 5.564 -2.855 -10.797 1.00 0.00 H new ATOM 0 HA ARG A 94 7.505 -1.483 -9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.548 -2.775 -7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.668 -4.263 -8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.258 -2.763 -8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.640 -3.304 -6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.015 -5.121 -8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.150 -5.004 -7.644 1.00 0.00 H new ATOM 0 HE ARG A 94 7.594 -5.553 -6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.073 -7.691 -5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.943 -9.038 -6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.990 -6.977 -8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.577 -8.639 -8.204 1.00 0.00 H new TER 1486 ARG A 94