USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 527 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 36 HIS : no HD1:sc= 0 X(o=-0.065,f=-0.11) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -0.0647 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.172 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0127 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -27:sc= -0.692 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.108 F(o=-0.63,f=-0.11) USER MOD Single : A 44 MET CE :methyl -120:sc= -0.75 (180deg=-1.08) USER MOD Single : A 48 ASN : amide:sc= -0.519 K(o=-0.52,f=-11!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.66 USER MOD Single : A 54 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.638 11.548 14.369 1.00 0.00 N ATOM 2 CA GLY A 1 -18.262 11.950 14.594 1.00 0.00 C ATOM 3 C GLY A 1 -17.615 12.526 13.350 1.00 0.00 C ATOM 4 O GLY A 1 -17.443 13.739 13.236 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.035 11.161 15.249 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.196 12.373 14.071 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.670 10.821 13.626 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.229 12.691 15.393 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.686 11.089 14.934 1.00 0.00 H new ATOM 8 N SER A 2 -17.253 11.653 12.415 1.00 0.00 N ATOM 9 CA SER A 2 -16.616 12.081 11.175 1.00 0.00 C ATOM 10 C SER A 2 -17.593 12.000 10.006 1.00 0.00 C ATOM 11 O SER A 2 -18.616 11.321 10.085 1.00 0.00 O ATOM 12 CB SER A 2 -15.384 11.220 10.886 1.00 0.00 C ATOM 13 OG SER A 2 -15.759 9.928 10.439 1.00 0.00 O ATOM 0 H SER A 2 -17.390 10.645 12.493 1.00 0.00 H new ATOM 0 HA SER A 2 -16.305 13.119 11.295 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.767 11.705 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.776 11.135 11.787 1.00 0.00 H new ATOM 0 HG SER A 2 -14.955 9.398 10.259 1.00 0.00 H new ATOM 19 N SER A 3 -17.268 12.697 8.923 1.00 0.00 N ATOM 20 CA SER A 3 -18.118 12.708 7.738 1.00 0.00 C ATOM 21 C SER A 3 -17.319 13.103 6.500 1.00 0.00 C ATOM 22 O SER A 3 -16.762 14.197 6.429 1.00 0.00 O ATOM 23 CB SER A 3 -19.288 13.675 7.932 1.00 0.00 C ATOM 24 OG SER A 3 -20.262 13.506 6.917 1.00 0.00 O ATOM 0 H SER A 3 -16.422 13.262 8.841 1.00 0.00 H new ATOM 0 HA SER A 3 -18.508 11.701 7.592 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.743 13.509 8.908 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.921 14.701 7.921 1.00 0.00 H new ATOM 0 HG SER A 3 -21.000 14.134 7.064 1.00 0.00 H new ATOM 30 N GLY A 4 -17.266 12.200 5.524 1.00 0.00 N ATOM 31 CA GLY A 4 -16.533 12.471 4.301 1.00 0.00 C ATOM 32 C GLY A 4 -15.510 11.398 3.989 1.00 0.00 C ATOM 33 O GLY A 4 -15.584 10.288 4.517 1.00 0.00 O ATOM 0 H GLY A 4 -17.718 11.286 5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.235 12.552 3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.030 13.434 4.388 1.00 0.00 H new ATOM 37 N SER A 5 -14.553 11.727 3.128 1.00 0.00 N ATOM 38 CA SER A 5 -13.513 10.780 2.741 1.00 0.00 C ATOM 39 C SER A 5 -12.465 11.454 1.861 1.00 0.00 C ATOM 40 O SER A 5 -12.650 12.585 1.412 1.00 0.00 O ATOM 41 CB SER A 5 -14.127 9.589 2.003 1.00 0.00 C ATOM 42 OG SER A 5 -14.812 10.010 0.837 1.00 0.00 O ATOM 0 H SER A 5 -14.476 12.642 2.685 1.00 0.00 H new ATOM 0 HA SER A 5 -13.025 10.423 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.343 8.881 1.733 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.816 9.064 2.664 1.00 0.00 H new ATOM 0 HG SER A 5 -15.194 9.230 0.382 1.00 0.00 H new ATOM 48 N SER A 6 -11.364 10.750 1.618 1.00 0.00 N ATOM 49 CA SER A 6 -10.284 11.280 0.794 1.00 0.00 C ATOM 50 C SER A 6 -9.827 10.248 -0.232 1.00 0.00 C ATOM 51 O SER A 6 -10.113 9.058 -0.103 1.00 0.00 O ATOM 52 CB SER A 6 -9.104 11.700 1.672 1.00 0.00 C ATOM 53 OG SER A 6 -8.018 12.157 0.883 1.00 0.00 O ATOM 0 H SER A 6 -11.196 9.811 1.980 1.00 0.00 H new ATOM 0 HA SER A 6 -10.661 12.153 0.262 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.418 12.489 2.356 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.784 10.857 2.284 1.00 0.00 H new ATOM 0 HG SER A 6 -7.277 12.421 1.468 1.00 0.00 H new ATOM 59 N GLY A 7 -9.114 10.714 -1.254 1.00 0.00 N ATOM 60 CA GLY A 7 -8.628 9.819 -2.288 1.00 0.00 C ATOM 61 C GLY A 7 -7.139 9.968 -2.531 1.00 0.00 C ATOM 62 O GLY A 7 -6.718 10.372 -3.615 1.00 0.00 O ATOM 0 H GLY A 7 -8.865 11.695 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.845 8.789 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.166 10.015 -3.216 1.00 0.00 H new ATOM 66 N ARG A 8 -6.341 9.643 -1.520 1.00 0.00 N ATOM 67 CA ARG A 8 -4.890 9.745 -1.628 1.00 0.00 C ATOM 68 C ARG A 8 -4.304 8.494 -2.276 1.00 0.00 C ATOM 69 O ARG A 8 -4.412 7.394 -1.735 1.00 0.00 O ATOM 70 CB ARG A 8 -4.268 9.957 -0.246 1.00 0.00 C ATOM 71 CG ARG A 8 -2.759 9.781 -0.225 1.00 0.00 C ATOM 72 CD ARG A 8 -2.224 9.729 1.198 1.00 0.00 C ATOM 73 NE ARG A 8 -0.882 9.157 1.258 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.072 9.291 2.302 1.00 0.00 C ATOM 75 NH1 ARG A 8 -0.467 9.973 3.368 1.00 0.00 N ATOM 76 NH2 ARG A 8 1.136 8.741 2.281 1.00 0.00 N ATOM 0 H ARG A 8 -6.674 9.307 -0.616 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.657 10.603 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.513 10.960 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.717 9.255 0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.491 8.864 -0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.288 10.604 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.208 10.735 1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.898 9.137 1.817 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.548 8.625 0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.395 10.396 3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.157 10.074 4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.443 8.215 1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.757 8.844 3.083 1.00 0.00 H new ATOM 90 N ARG A 9 -3.682 8.672 -3.437 1.00 0.00 N ATOM 91 CA ARG A 9 -3.080 7.558 -4.160 1.00 0.00 C ATOM 92 C ARG A 9 -1.664 7.287 -3.659 1.00 0.00 C ATOM 93 O ARG A 9 -0.895 8.216 -3.409 1.00 0.00 O ATOM 94 CB ARG A 9 -3.055 7.850 -5.661 1.00 0.00 C ATOM 95 CG ARG A 9 -2.713 6.637 -6.512 1.00 0.00 C ATOM 96 CD ARG A 9 -3.377 6.710 -7.878 1.00 0.00 C ATOM 97 NE ARG A 9 -4.823 6.522 -7.794 1.00 0.00 N ATOM 98 CZ ARG A 9 -5.571 6.118 -8.814 1.00 0.00 C ATOM 99 NH1 ARG A 9 -5.014 5.861 -9.989 1.00 0.00 N ATOM 100 NH2 ARG A 9 -6.881 5.970 -8.660 1.00 0.00 N ATOM 0 H ARG A 9 -3.582 9.577 -3.897 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.687 6.670 -3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.029 8.233 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.328 8.638 -5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.632 6.570 -6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.032 5.730 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.163 7.677 -8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.950 5.948 -8.530 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.283 6.711 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.008 5.973 -10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.592 5.551 -10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.314 6.167 -7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.455 5.660 -9.444 1.00 0.00 H new ATOM 114 N VAL A 10 -1.327 6.010 -3.516 1.00 0.00 N ATOM 115 CA VAL A 10 -0.003 5.617 -3.047 1.00 0.00 C ATOM 116 C VAL A 10 0.576 4.499 -3.907 1.00 0.00 C ATOM 117 O VAL A 10 -0.159 3.777 -4.581 1.00 0.00 O ATOM 118 CB VAL A 10 -0.044 5.151 -1.579 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.268 6.334 -0.650 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.124 4.097 -1.385 1.00 0.00 C ATOM 0 H VAL A 10 -1.952 5.230 -3.718 1.00 0.00 H new ATOM 0 HA VAL A 10 0.634 6.498 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 10 0.918 4.702 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.294 5.986 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.544 7.051 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.215 6.815 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.139 3.779 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.094 4.517 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.914 3.239 -2.023 1.00 0.00 H new ATOM 130 N ARG A 11 1.897 4.363 -3.880 1.00 0.00 N ATOM 131 CA ARG A 11 2.576 3.334 -4.658 1.00 0.00 C ATOM 132 C ARG A 11 3.485 2.491 -3.769 1.00 0.00 C ATOM 133 O ARG A 11 4.166 3.014 -2.887 1.00 0.00 O ATOM 134 CB ARG A 11 3.393 3.971 -5.784 1.00 0.00 C ATOM 135 CG ARG A 11 4.177 2.965 -6.611 1.00 0.00 C ATOM 136 CD ARG A 11 5.425 3.592 -7.214 1.00 0.00 C ATOM 137 NE ARG A 11 5.109 4.758 -8.035 1.00 0.00 N ATOM 138 CZ ARG A 11 5.980 5.338 -8.853 1.00 0.00 C ATOM 139 NH1 ARG A 11 7.214 4.863 -8.958 1.00 0.00 N ATOM 140 NH2 ARG A 11 5.618 6.395 -9.569 1.00 0.00 N ATOM 0 H ARG A 11 2.519 4.953 -3.327 1.00 0.00 H new ATOM 0 HA ARG A 11 1.817 2.683 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.722 4.524 -6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.086 4.694 -5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.460 2.119 -5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.543 2.574 -7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.106 3.885 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.946 2.851 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 11 4.168 5.148 -7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.496 4.050 -8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.881 5.310 -9.587 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.670 6.763 -9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.288 6.839 -10.197 1.00 0.00 H new ATOM 154 N ALA A 12 3.490 1.183 -4.007 1.00 0.00 N ATOM 155 CA ALA A 12 4.316 0.268 -3.229 1.00 0.00 C ATOM 156 C ALA A 12 5.765 0.297 -3.705 1.00 0.00 C ATOM 157 O ALA A 12 6.121 -0.365 -4.680 1.00 0.00 O ATOM 158 CB ALA A 12 3.760 -1.146 -3.313 1.00 0.00 C ATOM 0 H ALA A 12 2.931 0.734 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 12 4.295 0.594 -2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.387 -1.819 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.744 -1.161 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.751 -1.472 -4.353 1.00 0.00 H new ATOM 164 N ILE A 13 6.594 1.069 -3.011 1.00 0.00 N ATOM 165 CA ILE A 13 8.004 1.184 -3.363 1.00 0.00 C ATOM 166 C ILE A 13 8.710 -0.163 -3.252 1.00 0.00 C ATOM 167 O ILE A 13 9.820 -0.338 -3.756 1.00 0.00 O ATOM 168 CB ILE A 13 8.727 2.205 -2.465 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.721 1.733 -1.010 1.00 0.00 C ATOM 170 CG2 ILE A 13 8.073 3.574 -2.586 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.808 2.360 -0.166 1.00 0.00 C ATOM 0 H ILE A 13 6.314 1.624 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 13 8.044 1.529 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 13 9.762 2.288 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.752 1.961 -0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.835 0.649 -0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.595 4.285 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.125 3.912 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.029 3.507 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.743 1.979 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.783 2.111 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.683 3.443 -0.157 1.00 0.00 H new ATOM 183 N LEU A 14 8.058 -1.113 -2.591 1.00 0.00 N ATOM 184 CA LEU A 14 8.622 -2.447 -2.414 1.00 0.00 C ATOM 185 C LEU A 14 7.519 -3.486 -2.242 1.00 0.00 C ATOM 186 O LEU A 14 6.402 -3.178 -1.826 1.00 0.00 O ATOM 187 CB LEU A 14 9.556 -2.472 -1.203 1.00 0.00 C ATOM 188 CG LEU A 14 10.970 -1.939 -1.434 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.674 -1.699 -0.108 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.769 -2.905 -2.297 1.00 0.00 C ATOM 0 H LEU A 14 7.138 -0.985 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 14 9.193 -2.695 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.097 -1.891 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.630 -3.500 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 14 10.897 -0.987 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.679 -1.320 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.112 -0.969 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.736 -2.636 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.773 -2.510 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.832 -3.872 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.275 -3.026 -3.261 1.00 0.00 H new ATOM 202 N PRO A 15 7.838 -4.748 -2.567 1.00 0.00 N ATOM 203 CA PRO A 15 6.888 -5.859 -2.454 1.00 0.00 C ATOM 204 C PRO A 15 6.575 -6.208 -1.003 1.00 0.00 C ATOM 205 O PRO A 15 7.413 -6.034 -0.118 1.00 0.00 O ATOM 206 CB PRO A 15 7.616 -7.019 -3.138 1.00 0.00 C ATOM 207 CG PRO A 15 9.062 -6.687 -3.010 1.00 0.00 C ATOM 208 CD PRO A 15 9.150 -5.187 -3.070 1.00 0.00 C ATOM 0 HA PRO A 15 5.924 -5.619 -2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.384 -7.970 -2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.322 -7.110 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.467 -7.064 -2.071 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.640 -7.144 -3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.964 -4.807 -2.453 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.329 -4.835 -4.086 1.00 0.00 H new ATOM 216 N TYR A 16 5.365 -6.702 -0.766 1.00 0.00 N ATOM 217 CA TYR A 16 4.941 -7.074 0.578 1.00 0.00 C ATOM 218 C TYR A 16 4.227 -8.422 0.570 1.00 0.00 C ATOM 219 O TYR A 16 3.579 -8.791 -0.410 1.00 0.00 O ATOM 220 CB TYR A 16 4.020 -6.000 1.161 1.00 0.00 C ATOM 221 CG TYR A 16 3.399 -6.387 2.483 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.185 -6.841 3.536 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.026 -6.301 2.681 1.00 0.00 C ATOM 224 CE1 TYR A 16 3.622 -7.197 4.746 1.00 0.00 C ATOM 225 CE2 TYR A 16 1.455 -6.653 3.888 1.00 0.00 C ATOM 226 CZ TYR A 16 2.257 -7.101 4.918 1.00 0.00 C ATOM 227 OH TYR A 16 1.691 -7.454 6.121 1.00 0.00 O ATOM 0 H TYR A 16 4.660 -6.854 -1.488 1.00 0.00 H new ATOM 0 HA TYR A 16 5.831 -7.158 1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.588 -5.079 1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.226 -5.786 0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.254 -6.917 3.406 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.395 -5.953 1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.247 -7.549 5.553 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.386 -6.578 4.025 1.00 0.00 H new ATOM 0 HH TYR A 16 0.720 -7.327 6.076 1.00 0.00 H new ATOM 237 N THR A 17 4.349 -9.155 1.673 1.00 0.00 N ATOM 238 CA THR A 17 3.717 -10.463 1.795 1.00 0.00 C ATOM 239 C THR A 17 2.595 -10.437 2.827 1.00 0.00 C ATOM 240 O THR A 17 2.840 -10.536 4.029 1.00 0.00 O ATOM 241 CB THR A 17 4.739 -11.545 2.191 1.00 0.00 C ATOM 242 OG1 THR A 17 5.787 -11.610 1.218 1.00 0.00 O ATOM 243 CG2 THR A 17 4.067 -12.905 2.311 1.00 0.00 C ATOM 0 H THR A 17 4.880 -8.865 2.494 1.00 0.00 H new ATOM 0 HA THR A 17 3.302 -10.707 0.817 1.00 0.00 H new ATOM 0 HB THR A 17 5.160 -11.278 3.160 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.433 -12.299 1.479 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.808 -13.654 2.591 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.289 -12.861 3.074 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.621 -13.176 1.354 1.00 0.00 H new ATOM 251 N LYS A 18 1.362 -10.303 2.350 1.00 0.00 N ATOM 252 CA LYS A 18 0.200 -10.266 3.230 1.00 0.00 C ATOM 253 C LYS A 18 0.348 -11.272 4.367 1.00 0.00 C ATOM 254 O LYS A 18 1.014 -12.297 4.221 1.00 0.00 O ATOM 255 CB LYS A 18 -1.075 -10.560 2.437 1.00 0.00 C ATOM 256 CG LYS A 18 -1.237 -12.023 2.065 1.00 0.00 C ATOM 257 CD LYS A 18 -2.682 -12.359 1.735 1.00 0.00 C ATOM 258 CE LYS A 18 -3.486 -12.656 2.991 1.00 0.00 C ATOM 259 NZ LYS A 18 -4.865 -13.117 2.670 1.00 0.00 N ATOM 0 H LYS A 18 1.142 -10.218 1.358 1.00 0.00 H new ATOM 0 HA LYS A 18 0.131 -9.266 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.938 -10.245 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.073 -9.961 1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.604 -12.253 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.896 -12.649 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.137 -11.526 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.713 -13.222 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.975 -13.420 3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.537 -11.760 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.381 -13.309 3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.362 -12.378 2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.817 -13.986 2.101 1.00 0.00 H new ATOM 273 N VAL A 19 -0.280 -10.973 5.500 1.00 0.00 N ATOM 274 CA VAL A 19 -0.221 -11.853 6.662 1.00 0.00 C ATOM 275 C VAL A 19 -1.192 -13.019 6.518 1.00 0.00 C ATOM 276 O VAL A 19 -2.325 -12.863 6.061 1.00 0.00 O ATOM 277 CB VAL A 19 -0.541 -11.089 7.961 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.560 -12.039 9.148 1.00 0.00 C ATOM 279 CG2 VAL A 19 0.464 -9.968 8.181 1.00 0.00 C ATOM 0 H VAL A 19 -0.835 -10.129 5.638 1.00 0.00 H new ATOM 0 HA VAL A 19 0.797 -12.237 6.717 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.532 -10.644 7.866 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.788 -11.482 10.057 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.321 -12.803 8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.416 -12.515 9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.223 -9.439 9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.467 -10.388 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.423 -9.273 7.342 1.00 0.00 H new ATOM 289 N PRO A 20 -0.742 -14.217 6.918 1.00 0.00 N ATOM 290 CA PRO A 20 -1.556 -15.434 6.845 1.00 0.00 C ATOM 291 C PRO A 20 -2.706 -15.423 7.847 1.00 0.00 C ATOM 292 O PRO A 20 -2.508 -15.153 9.031 1.00 0.00 O ATOM 293 CB PRO A 20 -0.562 -16.547 7.185 1.00 0.00 C ATOM 294 CG PRO A 20 0.489 -15.879 8.003 1.00 0.00 C ATOM 295 CD PRO A 20 0.597 -14.476 7.473 1.00 0.00 C ATOM 0 HA PRO A 20 -2.029 -15.550 5.870 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.044 -17.352 7.740 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.140 -16.990 6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.219 -15.877 9.059 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.441 -16.403 7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.849 -13.767 8.261 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.371 -14.393 6.710 1.00 0.00 H new ATOM 303 N ASP A 21 -3.908 -15.717 7.363 1.00 0.00 N ATOM 304 CA ASP A 21 -5.090 -15.743 8.217 1.00 0.00 C ATOM 305 C ASP A 21 -5.494 -14.330 8.628 1.00 0.00 C ATOM 306 O ASP A 21 -5.687 -14.046 9.810 1.00 0.00 O ATOM 307 CB ASP A 21 -4.829 -16.594 9.461 1.00 0.00 C ATOM 308 CG ASP A 21 -3.945 -17.790 9.169 1.00 0.00 C ATOM 309 OD1 ASP A 21 -4.428 -18.739 8.517 1.00 0.00 O ATOM 310 OD2 ASP A 21 -2.770 -17.778 9.593 1.00 0.00 O ATOM 0 H ASP A 21 -4.089 -15.941 6.384 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.908 -16.186 7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.360 -15.977 10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.780 -16.939 9.868 1.00 0.00 H new ATOM 315 N THR A 22 -5.621 -13.447 7.643 1.00 0.00 N ATOM 316 CA THR A 22 -6.000 -12.063 7.901 1.00 0.00 C ATOM 317 C THR A 22 -6.506 -11.386 6.632 1.00 0.00 C ATOM 318 O THR A 22 -6.358 -11.917 5.532 1.00 0.00 O ATOM 319 CB THR A 22 -4.818 -11.253 8.465 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.659 -11.442 7.646 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.509 -11.671 9.895 1.00 0.00 C ATOM 0 H THR A 22 -5.467 -13.665 6.659 1.00 0.00 H new ATOM 0 HA THR A 22 -6.800 -12.087 8.641 1.00 0.00 H new ATOM 0 HB THR A 22 -5.095 -10.199 8.463 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.714 -12.311 7.197 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.671 -11.085 10.272 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.384 -11.498 10.522 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.251 -12.730 9.917 1.00 0.00 H new ATOM 329 N ASP A 23 -7.104 -10.211 6.793 1.00 0.00 N ATOM 330 CA ASP A 23 -7.631 -9.459 5.660 1.00 0.00 C ATOM 331 C ASP A 23 -6.499 -8.865 4.829 1.00 0.00 C ATOM 332 O ASP A 23 -6.675 -8.564 3.648 1.00 0.00 O ATOM 333 CB ASP A 23 -8.562 -8.347 6.147 1.00 0.00 C ATOM 334 CG ASP A 23 -9.981 -8.834 6.365 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.631 -9.233 5.376 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.441 -8.817 7.526 1.00 0.00 O ATOM 0 H ASP A 23 -7.236 -9.758 7.697 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.197 -10.146 5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.175 -7.935 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.567 -7.536 5.418 1.00 0.00 H new ATOM 341 N GLU A 24 -5.338 -8.697 5.454 1.00 0.00 N ATOM 342 CA GLU A 24 -4.178 -8.136 4.771 1.00 0.00 C ATOM 343 C GLU A 24 -4.111 -8.620 3.325 1.00 0.00 C ATOM 344 O GLU A 24 -4.517 -9.740 3.015 1.00 0.00 O ATOM 345 CB GLU A 24 -2.891 -8.516 5.507 1.00 0.00 C ATOM 346 CG GLU A 24 -2.695 -7.767 6.815 1.00 0.00 C ATOM 347 CD GLU A 24 -3.521 -8.344 7.948 1.00 0.00 C ATOM 348 OE1 GLU A 24 -4.722 -8.014 8.034 1.00 0.00 O ATOM 349 OE2 GLU A 24 -2.966 -9.126 8.748 1.00 0.00 O ATOM 0 H GLU A 24 -5.176 -8.941 6.431 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.280 -7.051 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.901 -9.587 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.039 -8.322 4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.640 -7.793 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.962 -6.720 6.673 1.00 0.00 H new ATOM 356 N ILE A 25 -3.597 -7.767 2.445 1.00 0.00 N ATOM 357 CA ILE A 25 -3.476 -8.107 1.033 1.00 0.00 C ATOM 358 C ILE A 25 -2.039 -7.948 0.550 1.00 0.00 C ATOM 359 O ILE A 25 -1.310 -7.071 1.015 1.00 0.00 O ATOM 360 CB ILE A 25 -4.398 -7.233 0.163 1.00 0.00 C ATOM 361 CG1 ILE A 25 -4.069 -5.752 0.361 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.857 -7.506 0.496 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.400 -4.893 -0.839 1.00 0.00 C ATOM 0 H ILE A 25 -3.258 -6.836 2.685 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.777 -9.150 0.933 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.231 -7.486 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.617 -5.379 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.008 -5.651 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.496 -6.880 -0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.083 -8.556 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.039 -7.278 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.140 -3.856 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.832 -5.240 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.466 -4.963 -1.054 1.00 0.00 H new ATOM 375 N SER A 26 -1.637 -8.801 -0.387 1.00 0.00 N ATOM 376 CA SER A 26 -0.286 -8.757 -0.932 1.00 0.00 C ATOM 377 C SER A 26 -0.252 -7.967 -2.237 1.00 0.00 C ATOM 378 O SER A 26 -1.188 -8.024 -3.035 1.00 0.00 O ATOM 379 CB SER A 26 0.239 -10.175 -1.168 1.00 0.00 C ATOM 380 OG SER A 26 -0.102 -10.636 -2.464 1.00 0.00 O ATOM 0 H SER A 26 -2.228 -9.531 -0.784 1.00 0.00 H new ATOM 0 HA SER A 26 0.355 -8.256 -0.207 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.322 -10.190 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.175 -10.849 -0.418 1.00 0.00 H new ATOM 0 HG SER A 26 0.246 -11.543 -2.591 1.00 0.00 H new ATOM 386 N PHE A 27 0.834 -7.230 -2.447 1.00 0.00 N ATOM 387 CA PHE A 27 0.991 -6.427 -3.654 1.00 0.00 C ATOM 388 C PHE A 27 2.436 -6.454 -4.142 1.00 0.00 C ATOM 389 O PHE A 27 3.345 -6.838 -3.404 1.00 0.00 O ATOM 390 CB PHE A 27 0.557 -4.983 -3.392 1.00 0.00 C ATOM 391 CG PHE A 27 0.997 -4.459 -2.055 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.289 -4.774 -0.905 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.117 -3.651 -1.947 1.00 0.00 C ATOM 394 CE1 PHE A 27 0.692 -4.292 0.326 1.00 0.00 C ATOM 395 CE2 PHE A 27 2.525 -3.167 -0.718 1.00 0.00 C ATOM 396 CZ PHE A 27 1.811 -3.488 0.420 1.00 0.00 C ATOM 0 H PHE A 27 1.618 -7.172 -1.797 1.00 0.00 H new ATOM 0 HA PHE A 27 0.356 -6.855 -4.429 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.962 -4.342 -4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.529 -4.921 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.587 -5.403 -0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.678 -3.396 -2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.132 -4.544 1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.401 -2.539 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.127 -3.111 1.381 1.00 0.00 H new ATOM 406 N LEU A 28 2.641 -6.046 -5.389 1.00 0.00 N ATOM 407 CA LEU A 28 3.976 -6.024 -5.977 1.00 0.00 C ATOM 408 C LEU A 28 4.490 -4.594 -6.109 1.00 0.00 C ATOM 409 O LEU A 28 3.718 -3.637 -6.047 1.00 0.00 O ATOM 410 CB LEU A 28 3.962 -6.701 -7.349 1.00 0.00 C ATOM 411 CG LEU A 28 4.063 -8.227 -7.346 1.00 0.00 C ATOM 412 CD1 LEU A 28 5.514 -8.665 -7.220 1.00 0.00 C ATOM 413 CD2 LEU A 28 3.227 -8.814 -6.218 1.00 0.00 C ATOM 0 H LEU A 28 1.900 -5.726 -6.013 1.00 0.00 H new ATOM 0 HA LEU A 28 4.646 -6.572 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.042 -6.419 -7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.789 -6.303 -7.937 1.00 0.00 H new ATOM 0 HG LEU A 28 3.673 -8.600 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.567 -9.754 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.086 -8.274 -8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.930 -8.281 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.310 -9.901 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.587 -8.434 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.184 -8.529 -6.352 1.00 0.00 H new ATOM 425 N LYS A 29 5.798 -4.455 -6.293 1.00 0.00 N ATOM 426 CA LYS A 29 6.416 -3.142 -6.437 1.00 0.00 C ATOM 427 C LYS A 29 5.754 -2.350 -7.560 1.00 0.00 C ATOM 428 O LYS A 29 5.575 -2.854 -8.667 1.00 0.00 O ATOM 429 CB LYS A 29 7.914 -3.289 -6.716 1.00 0.00 C ATOM 430 CG LYS A 29 8.587 -1.989 -7.121 1.00 0.00 C ATOM 431 CD LYS A 29 10.088 -2.164 -7.280 1.00 0.00 C ATOM 432 CE LYS A 29 10.787 -0.828 -7.481 1.00 0.00 C ATOM 433 NZ LYS A 29 10.558 -0.282 -8.847 1.00 0.00 N ATOM 0 H LYS A 29 6.452 -5.236 -6.346 1.00 0.00 H new ATOM 0 HA LYS A 29 6.278 -2.598 -5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.405 -3.680 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.057 -4.025 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.160 -1.634 -8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.386 -1.225 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.493 -2.659 -6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.291 -2.814 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.427 -0.115 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.857 -0.949 -7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.051 0.629 -8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.924 -0.951 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.539 -0.142 -8.999 1.00 0.00 H new ATOM 447 N GLY A 30 5.394 -1.104 -7.266 1.00 0.00 N ATOM 448 CA GLY A 30 4.757 -0.261 -8.261 1.00 0.00 C ATOM 449 C GLY A 30 3.247 -0.247 -8.129 1.00 0.00 C ATOM 450 O GLY A 30 2.603 0.766 -8.401 1.00 0.00 O ATOM 0 H GLY A 30 5.532 -0.664 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.136 0.757 -8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.028 -0.611 -9.257 1.00 0.00 H new ATOM 454 N ASP A 31 2.681 -1.374 -7.712 1.00 0.00 N ATOM 455 CA ASP A 31 1.237 -1.488 -7.544 1.00 0.00 C ATOM 456 C ASP A 31 0.670 -0.247 -6.861 1.00 0.00 C ATOM 457 O ASP A 31 1.212 0.226 -5.863 1.00 0.00 O ATOM 458 CB ASP A 31 0.893 -2.736 -6.730 1.00 0.00 C ATOM 459 CG ASP A 31 0.925 -4.000 -7.567 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.909 -4.193 -8.311 1.00 0.00 O ATOM 461 OD2 ASP A 31 -0.033 -4.796 -7.477 1.00 0.00 O ATOM 0 H ASP A 31 3.200 -2.222 -7.484 1.00 0.00 H new ATOM 0 HA ASP A 31 0.787 -1.574 -8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.597 -2.833 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.098 -2.619 -6.292 1.00 0.00 H new ATOM 466 N MET A 32 -0.424 0.274 -7.407 1.00 0.00 N ATOM 467 CA MET A 32 -1.065 1.460 -6.849 1.00 0.00 C ATOM 468 C MET A 32 -2.276 1.077 -6.006 1.00 0.00 C ATOM 469 O MET A 32 -2.778 -0.044 -6.094 1.00 0.00 O ATOM 470 CB MET A 32 -1.488 2.412 -7.970 1.00 0.00 C ATOM 471 CG MET A 32 -0.384 3.355 -8.416 1.00 0.00 C ATOM 472 SD MET A 32 -0.642 3.988 -10.085 1.00 0.00 S ATOM 473 CE MET A 32 0.077 5.622 -9.942 1.00 0.00 C ATOM 0 H MET A 32 -0.885 -0.105 -8.234 1.00 0.00 H new ATOM 0 HA MET A 32 -0.343 1.965 -6.207 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.822 1.826 -8.826 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.342 2.999 -7.633 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.323 4.192 -7.720 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.573 2.834 -8.373 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.006 6.141 -10.897 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.453 6.187 -9.175 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.128 5.534 -9.667 1.00 0.00 H new ATOM 483 N PHE A 33 -2.743 2.016 -5.188 1.00 0.00 N ATOM 484 CA PHE A 33 -3.895 1.776 -4.328 1.00 0.00 C ATOM 485 C PHE A 33 -4.737 3.040 -4.181 1.00 0.00 C ATOM 486 O PHE A 33 -4.424 4.078 -4.765 1.00 0.00 O ATOM 487 CB PHE A 33 -3.438 1.291 -2.950 1.00 0.00 C ATOM 488 CG PHE A 33 -2.260 0.361 -3.003 1.00 0.00 C ATOM 489 CD1 PHE A 33 -0.971 0.859 -3.101 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.442 -1.012 -2.954 1.00 0.00 C ATOM 491 CE1 PHE A 33 0.115 0.005 -3.150 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.360 -1.871 -3.003 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.080 -1.361 -3.100 1.00 0.00 C ATOM 0 H PHE A 33 -2.341 2.950 -5.103 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.508 1.004 -4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.182 2.155 -2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.269 0.785 -2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.813 1.927 -3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.441 -1.416 -2.877 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.115 0.406 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.515 -2.939 -2.965 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.767 -2.030 -3.137 1.00 0.00 H new ATOM 503 N ILE A 34 -5.806 2.944 -3.397 1.00 0.00 N ATOM 504 CA ILE A 34 -6.692 4.080 -3.173 1.00 0.00 C ATOM 505 C ILE A 34 -7.012 4.243 -1.691 1.00 0.00 C ATOM 506 O ILE A 34 -8.014 3.722 -1.200 1.00 0.00 O ATOM 507 CB ILE A 34 -8.009 3.930 -3.958 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.721 3.756 -5.450 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.906 5.136 -3.723 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.917 3.280 -6.245 1.00 0.00 C ATOM 0 H ILE A 34 -6.079 2.092 -2.907 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.166 4.966 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.529 3.041 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.378 4.706 -5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.906 3.043 -5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.833 5.015 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.134 5.219 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.395 6.040 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.640 3.179 -7.294 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.247 2.314 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.727 4.003 -6.152 1.00 0.00 H new ATOM 522 N VAL A 35 -6.155 4.971 -0.982 1.00 0.00 N ATOM 523 CA VAL A 35 -6.348 5.205 0.444 1.00 0.00 C ATOM 524 C VAL A 35 -7.758 5.708 0.732 1.00 0.00 C ATOM 525 O VAL A 35 -8.108 6.838 0.390 1.00 0.00 O ATOM 526 CB VAL A 35 -5.330 6.226 0.987 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.553 6.464 2.473 1.00 0.00 C ATOM 528 CG2 VAL A 35 -3.908 5.752 0.722 1.00 0.00 C ATOM 0 H VAL A 35 -5.320 5.409 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.197 4.249 0.946 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.477 7.172 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.825 7.188 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.560 6.850 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.434 5.525 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.202 6.485 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.746 4.794 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.757 5.638 -0.351 1.00 0.00 H new ATOM 538 N HIS A 36 -8.564 4.861 1.365 1.00 0.00 N ATOM 539 CA HIS A 36 -9.937 5.220 1.701 1.00 0.00 C ATOM 540 C HIS A 36 -10.046 5.639 3.164 1.00 0.00 C ATOM 541 O HIS A 36 -10.674 6.647 3.485 1.00 0.00 O ATOM 542 CB HIS A 36 -10.876 4.046 1.423 1.00 0.00 C ATOM 543 CG HIS A 36 -11.157 3.835 -0.033 1.00 0.00 C ATOM 544 ND1 HIS A 36 -11.694 4.811 -0.845 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.971 2.751 -0.822 1.00 0.00 C ATOM 546 CE1 HIS A 36 -11.828 4.337 -2.070 1.00 0.00 C ATOM 547 NE2 HIS A 36 -11.395 3.089 -2.084 1.00 0.00 N ATOM 0 H HIS A 36 -8.290 3.922 1.655 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.229 6.064 1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.439 3.137 1.836 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.818 4.213 1.946 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.565 1.798 -0.516 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.224 4.878 -2.917 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.378 2.476 -2.899 1.00 0.00 H new ATOM 555 N ASN A 37 -9.431 4.858 4.046 1.00 0.00 N ATOM 556 CA ASN A 37 -9.461 5.147 5.475 1.00 0.00 C ATOM 557 C ASN A 37 -8.047 5.262 6.036 1.00 0.00 C ATOM 558 O ASN A 37 -7.121 4.616 5.547 1.00 0.00 O ATOM 559 CB ASN A 37 -10.232 4.057 6.222 1.00 0.00 C ATOM 560 CG ASN A 37 -10.377 4.361 7.700 1.00 0.00 C ATOM 561 OD1 ASN A 37 -10.767 5.590 8.016 1.00 0.00 O flip ATOM 562 ND2 ASN A 37 -10.142 3.500 8.548 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.906 4.020 3.796 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.968 6.102 5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.221 3.946 5.778 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.719 3.103 6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.845 2.568 8.260 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.245 3.719 9.539 1.00 0.00 H new ATOM 569 N GLU A 38 -7.890 6.087 7.066 1.00 0.00 N ATOM 570 CA GLU A 38 -6.589 6.285 7.694 1.00 0.00 C ATOM 571 C GLU A 38 -6.620 5.857 9.158 1.00 0.00 C ATOM 572 O GLU A 38 -7.130 6.578 10.017 1.00 0.00 O ATOM 573 CB GLU A 38 -6.165 7.752 7.589 1.00 0.00 C ATOM 574 CG GLU A 38 -6.010 8.240 6.158 1.00 0.00 C ATOM 575 CD GLU A 38 -7.339 8.376 5.441 1.00 0.00 C ATOM 576 OE1 GLU A 38 -8.254 9.012 6.004 1.00 0.00 O ATOM 577 OE2 GLU A 38 -7.463 7.847 4.316 1.00 0.00 O ATOM 0 H GLU A 38 -8.647 6.629 7.483 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.863 5.665 7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.903 8.372 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.219 7.887 8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.502 9.204 6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.374 7.546 5.608 1.00 0.00 H new ATOM 584 N LEU A 39 -6.071 4.680 9.435 1.00 0.00 N ATOM 585 CA LEU A 39 -6.035 4.153 10.796 1.00 0.00 C ATOM 586 C LEU A 39 -5.046 4.934 11.656 1.00 0.00 C ATOM 587 O LEU A 39 -4.466 5.922 11.208 1.00 0.00 O ATOM 588 CB LEU A 39 -5.656 2.671 10.780 1.00 0.00 C ATOM 589 CG LEU A 39 -6.629 1.737 10.060 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.016 1.831 10.678 1.00 0.00 C ATOM 591 CD2 LEU A 39 -6.682 2.065 8.575 1.00 0.00 C ATOM 0 H LEU A 39 -5.644 4.072 8.736 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.029 4.262 11.229 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.676 2.572 10.313 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.553 2.332 11.811 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.272 0.714 10.174 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.695 1.159 10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.966 1.547 11.729 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.382 2.854 10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.379 1.391 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.015 3.094 8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.690 1.945 8.140 1.00 0.00 H new ATOM 603 N GLU A 40 -4.859 4.482 12.892 1.00 0.00 N ATOM 604 CA GLU A 40 -3.939 5.138 13.813 1.00 0.00 C ATOM 605 C GLU A 40 -2.745 4.239 14.122 1.00 0.00 C ATOM 606 O GLU A 40 -1.636 4.720 14.354 1.00 0.00 O ATOM 607 CB GLU A 40 -4.661 5.509 15.111 1.00 0.00 C ATOM 608 CG GLU A 40 -5.559 4.406 15.645 1.00 0.00 C ATOM 609 CD GLU A 40 -6.191 4.762 16.976 1.00 0.00 C ATOM 610 OE1 GLU A 40 -5.442 4.937 17.961 1.00 0.00 O ATOM 611 OE2 GLU A 40 -7.434 4.867 17.035 1.00 0.00 O ATOM 0 H GLU A 40 -5.332 3.665 13.278 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.573 6.047 13.335 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.920 5.762 15.869 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.260 6.403 14.941 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.344 4.198 14.918 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.977 3.491 15.756 1.00 0.00 H new ATOM 618 N ASP A 41 -2.981 2.932 14.124 1.00 0.00 N ATOM 619 CA ASP A 41 -1.926 1.965 14.403 1.00 0.00 C ATOM 620 C ASP A 41 -0.824 2.044 13.351 1.00 0.00 C ATOM 621 O ASP A 41 0.269 1.513 13.542 1.00 0.00 O ATOM 622 CB ASP A 41 -2.502 0.549 14.450 1.00 0.00 C ATOM 623 CG ASP A 41 -3.377 0.320 15.667 1.00 0.00 C ATOM 624 OD1 ASP A 41 -4.327 1.105 15.871 1.00 0.00 O ATOM 625 OD2 ASP A 41 -3.113 -0.644 16.415 1.00 0.00 O ATOM 0 H ASP A 41 -3.894 2.518 13.936 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.494 2.206 15.374 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.085 0.367 13.547 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.685 -0.173 14.453 1.00 0.00 H new ATOM 630 N GLY A 42 -1.120 2.711 12.240 1.00 0.00 N ATOM 631 CA GLY A 42 -0.145 2.846 11.174 1.00 0.00 C ATOM 632 C GLY A 42 -0.537 2.076 9.928 1.00 0.00 C ATOM 633 O GLY A 42 0.281 1.358 9.351 1.00 0.00 O ATOM 0 H GLY A 42 -2.018 3.160 12.059 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.028 3.901 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.824 2.493 11.526 1.00 0.00 H new ATOM 637 N TRP A 43 -1.790 2.222 9.514 1.00 0.00 N ATOM 638 CA TRP A 43 -2.288 1.533 8.329 1.00 0.00 C ATOM 639 C TRP A 43 -3.312 2.389 7.591 1.00 0.00 C ATOM 640 O TRP A 43 -3.733 3.434 8.087 1.00 0.00 O ATOM 641 CB TRP A 43 -2.913 0.192 8.720 1.00 0.00 C ATOM 642 CG TRP A 43 -1.999 -0.676 9.530 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.494 -0.401 10.769 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.481 -1.957 9.158 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.692 -1.435 11.189 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.669 -2.402 10.220 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.626 -2.773 8.033 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -0.005 -3.626 10.186 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.966 -3.987 8.001 1.00 0.00 C ATOM 650 CH2 TRP A 43 -0.164 -4.404 9.072 1.00 0.00 C ATOM 0 H TRP A 43 -2.480 2.811 9.981 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.445 1.353 7.662 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.825 0.376 9.288 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.203 -0.343 7.816 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.695 0.497 11.335 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.194 -1.475 12.079 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.243 -2.461 7.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.614 -3.949 11.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.070 -4.625 7.136 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.338 -5.358 9.017 1.00 0.00 H new ATOM 661 N MET A 44 -3.707 1.939 6.405 1.00 0.00 N ATOM 662 CA MET A 44 -4.683 2.665 5.600 1.00 0.00 C ATOM 663 C MET A 44 -5.465 1.711 4.702 1.00 0.00 C ATOM 664 O MET A 44 -4.894 1.061 3.826 1.00 0.00 O ATOM 665 CB MET A 44 -3.985 3.727 4.749 1.00 0.00 C ATOM 666 CG MET A 44 -2.761 4.333 5.416 1.00 0.00 C ATOM 667 SD MET A 44 -1.803 5.374 4.298 1.00 0.00 S ATOM 668 CE MET A 44 -1.030 4.135 3.261 1.00 0.00 C ATOM 0 H MET A 44 -3.367 1.076 5.980 1.00 0.00 H new ATOM 0 HA MET A 44 -5.383 3.154 6.277 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.688 3.282 3.799 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.695 4.522 4.521 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.076 4.924 6.276 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.125 3.533 5.795 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.054 4.217 3.342 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.344 3.143 3.585 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.329 4.290 2.224 1.00 0.00 H new ATOM 678 N TRP A 45 -6.771 1.632 4.927 1.00 0.00 N ATOM 679 CA TRP A 45 -7.631 0.756 4.138 1.00 0.00 C ATOM 680 C TRP A 45 -7.654 1.190 2.676 1.00 0.00 C ATOM 681 O TRP A 45 -8.442 2.052 2.286 1.00 0.00 O ATOM 682 CB TRP A 45 -9.051 0.755 4.705 1.00 0.00 C ATOM 683 CG TRP A 45 -9.935 -0.287 4.091 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.667 -0.168 2.944 1.00 0.00 C ATOM 685 CD2 TRP A 45 -10.182 -1.605 4.592 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.354 -1.333 2.702 1.00 0.00 N ATOM 687 CE2 TRP A 45 -11.072 -2.231 3.697 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.735 -2.319 5.707 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.524 -3.534 3.887 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -10.185 -3.612 5.894 1.00 0.00 C ATOM 691 CH2 TRP A 45 -11.071 -4.209 4.987 1.00 0.00 C ATOM 0 H TRP A 45 -7.258 2.163 5.649 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.226 -0.255 4.192 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.004 0.593 5.782 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.497 1.737 4.550 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -10.701 0.712 2.319 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -11.974 -1.502 1.910 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.050 -1.868 6.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -12.208 -3.996 3.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.848 -4.172 6.754 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.403 -5.222 5.160 1.00 0.00 H new ATOM 702 N VAL A 46 -6.785 0.587 1.870 1.00 0.00 N ATOM 703 CA VAL A 46 -6.708 0.910 0.451 1.00 0.00 C ATOM 704 C VAL A 46 -7.261 -0.226 -0.402 1.00 0.00 C ATOM 705 O VAL A 46 -7.612 -1.289 0.110 1.00 0.00 O ATOM 706 CB VAL A 46 -5.259 1.203 0.020 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.558 2.070 1.055 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.497 -0.095 -0.203 1.00 0.00 C ATOM 0 H VAL A 46 -6.125 -0.128 2.176 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.313 1.804 0.296 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.283 1.751 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.535 2.266 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.093 3.014 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.543 1.552 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.475 0.131 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.481 -0.671 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.988 -0.676 -0.984 1.00 0.00 H new ATOM 718 N THR A 47 -7.336 0.005 -1.710 1.00 0.00 N ATOM 719 CA THR A 47 -7.846 -0.998 -2.635 1.00 0.00 C ATOM 720 C THR A 47 -6.926 -1.154 -3.840 1.00 0.00 C ATOM 721 O THR A 47 -6.999 -0.379 -4.793 1.00 0.00 O ATOM 722 CB THR A 47 -9.261 -0.640 -3.127 1.00 0.00 C ATOM 723 OG1 THR A 47 -10.096 -0.302 -2.014 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.877 -1.800 -3.895 1.00 0.00 C ATOM 0 H THR A 47 -7.050 0.879 -2.152 1.00 0.00 H new ATOM 0 HA THR A 47 -7.886 -1.940 -2.088 1.00 0.00 H new ATOM 0 HB THR A 47 -9.183 0.217 -3.796 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.993 -0.074 -2.336 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.876 -1.523 -4.232 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.255 -2.036 -4.758 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.942 -2.673 -3.245 1.00 0.00 H new ATOM 732 N ASN A 48 -6.059 -2.161 -3.791 1.00 0.00 N ATOM 733 CA ASN A 48 -5.124 -2.417 -4.880 1.00 0.00 C ATOM 734 C ASN A 48 -5.815 -2.283 -6.234 1.00 0.00 C ATOM 735 O ASN A 48 -6.949 -2.728 -6.412 1.00 0.00 O ATOM 736 CB ASN A 48 -4.519 -3.816 -4.741 1.00 0.00 C ATOM 737 CG ASN A 48 -3.223 -3.964 -5.515 1.00 0.00 C ATOM 738 OD1 ASN A 48 -3.024 -3.320 -6.545 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.334 -4.818 -5.021 1.00 0.00 N ATOM 0 H ASN A 48 -5.985 -2.812 -3.009 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.327 -1.675 -4.824 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.336 -4.027 -3.687 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.237 -4.556 -5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.444 -4.961 -5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.541 -5.331 -4.164 1.00 0.00 H new ATOM 746 N LEU A 49 -5.123 -1.666 -7.186 1.00 0.00 N ATOM 747 CA LEU A 49 -5.669 -1.473 -8.525 1.00 0.00 C ATOM 748 C LEU A 49 -5.385 -2.684 -9.409 1.00 0.00 C ATOM 749 O LEU A 49 -5.983 -2.841 -10.473 1.00 0.00 O ATOM 750 CB LEU A 49 -5.078 -0.213 -9.161 1.00 0.00 C ATOM 751 CG LEU A 49 -5.570 1.119 -8.594 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.835 2.280 -9.245 1.00 0.00 C ATOM 753 CD2 LEU A 49 -7.073 1.259 -8.789 1.00 0.00 C ATOM 0 H LEU A 49 -4.183 -1.291 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.749 -1.356 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.994 -0.251 -9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.296 -0.233 -10.229 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.360 1.137 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.198 3.220 -8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.766 2.187 -9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.013 2.266 -10.320 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.406 2.213 -8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.307 1.219 -9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.584 0.445 -8.274 1.00 0.00 H new ATOM 765 N ARG A 50 -4.472 -3.537 -8.959 1.00 0.00 N ATOM 766 CA ARG A 50 -4.110 -4.734 -9.708 1.00 0.00 C ATOM 767 C ARG A 50 -5.054 -5.887 -9.379 1.00 0.00 C ATOM 768 O ARG A 50 -5.572 -6.555 -10.275 1.00 0.00 O ATOM 769 CB ARG A 50 -2.667 -5.138 -9.399 1.00 0.00 C ATOM 770 CG ARG A 50 -2.119 -6.203 -10.335 1.00 0.00 C ATOM 771 CD ARG A 50 -2.455 -7.602 -9.845 1.00 0.00 C ATOM 772 NE ARG A 50 -1.424 -8.134 -8.957 1.00 0.00 N ATOM 773 CZ ARG A 50 -1.461 -9.355 -8.437 1.00 0.00 C ATOM 774 NH1 ARG A 50 -2.471 -10.168 -8.715 1.00 0.00 N ATOM 775 NH2 ARG A 50 -0.485 -9.767 -7.637 1.00 0.00 N ATOM 0 H ARG A 50 -3.969 -3.422 -8.079 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.197 -4.508 -10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.031 -4.254 -9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.613 -5.504 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.531 -6.058 -11.334 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.037 -6.095 -10.417 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.410 -7.583 -9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.575 -8.267 -10.701 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.632 -7.534 -8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.223 -9.856 -9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.496 -11.105 -8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.294 -9.145 -7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.514 -10.705 -7.238 1.00 0.00 H new ATOM 789 N THR A 51 -5.273 -6.116 -8.088 1.00 0.00 N ATOM 790 CA THR A 51 -6.152 -7.189 -7.641 1.00 0.00 C ATOM 791 C THR A 51 -7.574 -6.682 -7.430 1.00 0.00 C ATOM 792 O THR A 51 -8.521 -7.467 -7.370 1.00 0.00 O ATOM 793 CB THR A 51 -5.645 -7.822 -6.331 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.545 -6.822 -5.310 1.00 0.00 O ATOM 795 CG2 THR A 51 -4.289 -8.480 -6.537 1.00 0.00 C ATOM 0 H THR A 51 -4.854 -5.573 -7.334 1.00 0.00 H new ATOM 0 HA THR A 51 -6.151 -7.946 -8.425 1.00 0.00 H new ATOM 0 HB THR A 51 -6.359 -8.586 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.224 -7.233 -4.480 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.952 -8.920 -5.598 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.374 -9.260 -7.293 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.568 -7.732 -6.867 1.00 0.00 H new ATOM 803 N ASP A 52 -7.718 -5.366 -7.318 1.00 0.00 N ATOM 804 CA ASP A 52 -9.026 -4.754 -7.115 1.00 0.00 C ATOM 805 C ASP A 52 -9.661 -5.246 -5.818 1.00 0.00 C ATOM 806 O ASP A 52 -10.870 -5.462 -5.751 1.00 0.00 O ATOM 807 CB ASP A 52 -9.946 -5.064 -8.297 1.00 0.00 C ATOM 808 CG ASP A 52 -9.795 -4.063 -9.426 1.00 0.00 C ATOM 809 OD1 ASP A 52 -10.400 -2.974 -9.340 1.00 0.00 O ATOM 810 OD2 ASP A 52 -9.070 -4.369 -10.396 1.00 0.00 O ATOM 0 H ASP A 52 -6.945 -4.702 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.888 -3.675 -7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.728 -6.064 -8.671 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.981 -5.070 -7.956 1.00 0.00 H new ATOM 815 N GLU A 53 -8.836 -5.420 -4.790 1.00 0.00 N ATOM 816 CA GLU A 53 -9.317 -5.888 -3.496 1.00 0.00 C ATOM 817 C GLU A 53 -8.897 -4.934 -2.382 1.00 0.00 C ATOM 818 O GLU A 53 -7.963 -4.149 -2.543 1.00 0.00 O ATOM 819 CB GLU A 53 -8.786 -7.293 -3.207 1.00 0.00 C ATOM 820 CG GLU A 53 -9.458 -8.380 -4.029 1.00 0.00 C ATOM 821 CD GLU A 53 -10.869 -8.677 -3.560 1.00 0.00 C ATOM 822 OE1 GLU A 53 -11.020 -9.238 -2.455 1.00 0.00 O ATOM 823 OE2 GLU A 53 -11.821 -8.351 -4.299 1.00 0.00 O ATOM 0 H GLU A 53 -7.832 -5.244 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.406 -5.920 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.714 -7.314 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.923 -7.513 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.483 -8.076 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.862 -9.291 -3.976 1.00 0.00 H new ATOM 830 N GLN A 54 -9.594 -5.009 -1.252 1.00 0.00 N ATOM 831 CA GLN A 54 -9.294 -4.151 -0.112 1.00 0.00 C ATOM 832 C GLN A 54 -8.502 -4.911 0.947 1.00 0.00 C ATOM 833 O GLN A 54 -8.522 -6.140 0.988 1.00 0.00 O ATOM 834 CB GLN A 54 -10.587 -3.604 0.495 1.00 0.00 C ATOM 835 CG GLN A 54 -11.597 -3.139 -0.541 1.00 0.00 C ATOM 836 CD GLN A 54 -13.016 -3.128 -0.009 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.606 -4.180 0.241 1.00 0.00 O ATOM 838 NE2 GLN A 54 -13.573 -1.936 0.167 1.00 0.00 N ATOM 0 H GLN A 54 -10.369 -5.655 -1.102 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.686 -3.318 -0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.043 -4.377 1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.345 -2.770 1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.331 -2.137 -0.877 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.545 -3.792 -1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.047 -1.090 -0.053 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -14.527 -1.866 0.522 1.00 0.00 H new ATOM 847 N GLY A 55 -7.806 -4.170 1.804 1.00 0.00 N ATOM 848 CA GLY A 55 -7.017 -4.791 2.851 1.00 0.00 C ATOM 849 C GLY A 55 -6.355 -3.773 3.760 1.00 0.00 C ATOM 850 O GLY A 55 -6.718 -2.596 3.754 1.00 0.00 O ATOM 0 H GLY A 55 -7.775 -3.151 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.657 -5.443 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.252 -5.422 2.399 1.00 0.00 H new ATOM 854 N LEU A 56 -5.384 -4.226 4.544 1.00 0.00 N ATOM 855 CA LEU A 56 -4.671 -3.347 5.464 1.00 0.00 C ATOM 856 C LEU A 56 -3.180 -3.315 5.142 1.00 0.00 C ATOM 857 O LEU A 56 -2.505 -4.344 5.179 1.00 0.00 O ATOM 858 CB LEU A 56 -4.882 -3.808 6.908 1.00 0.00 C ATOM 859 CG LEU A 56 -6.319 -3.744 7.429 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.517 -4.732 8.568 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.661 -2.332 7.878 1.00 0.00 C ATOM 0 H LEU A 56 -5.072 -5.197 4.561 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.071 -2.340 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.530 -4.836 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.253 -3.200 7.558 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.993 -4.017 6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.545 -4.673 8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.314 -5.742 8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.834 -4.490 9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.687 -2.305 8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.982 -2.029 8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.560 -1.648 7.036 1.00 0.00 H new ATOM 873 N ILE A 57 -2.673 -2.128 4.828 1.00 0.00 N ATOM 874 CA ILE A 57 -1.262 -1.962 4.502 1.00 0.00 C ATOM 875 C ILE A 57 -0.607 -0.926 5.409 1.00 0.00 C ATOM 876 O ILE A 57 -1.290 -0.130 6.055 1.00 0.00 O ATOM 877 CB ILE A 57 -1.069 -1.538 3.034 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.584 -0.113 2.820 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.780 -2.510 2.105 1.00 0.00 C ATOM 880 CD1 ILE A 57 -1.123 0.506 1.519 1.00 0.00 C ATOM 0 H ILE A 57 -3.218 -1.267 4.792 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.786 -2.930 4.657 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.004 -1.557 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.674 -0.122 2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.253 0.513 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.635 -2.197 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.370 -3.511 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.845 -2.520 2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.525 1.515 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.034 0.547 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.477 -0.098 0.683 1.00 0.00 H new ATOM 892 N VAL A 58 0.721 -0.941 5.453 1.00 0.00 N ATOM 893 CA VAL A 58 1.470 0.000 6.278 1.00 0.00 C ATOM 894 C VAL A 58 2.071 1.116 5.432 1.00 0.00 C ATOM 895 O VAL A 58 2.690 0.860 4.400 1.00 0.00 O ATOM 896 CB VAL A 58 2.598 -0.708 7.052 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.625 -1.285 6.090 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.254 0.253 8.033 1.00 0.00 C ATOM 0 H VAL A 58 1.301 -1.595 4.927 1.00 0.00 H new ATOM 0 HA VAL A 58 0.764 0.429 6.990 1.00 0.00 H new ATOM 0 HB VAL A 58 2.165 -1.532 7.620 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.414 -1.781 6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.142 -2.007 5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.056 -0.481 5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.049 -0.263 8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.675 1.098 7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.509 0.613 8.743 1.00 0.00 H new ATOM 908 N GLU A 59 1.885 2.355 5.877 1.00 0.00 N ATOM 909 CA GLU A 59 2.410 3.510 5.160 1.00 0.00 C ATOM 910 C GLU A 59 3.924 3.410 5.000 1.00 0.00 C ATOM 911 O GLU A 59 4.528 4.151 4.224 1.00 0.00 O ATOM 912 CB GLU A 59 2.049 4.802 5.895 1.00 0.00 C ATOM 913 CG GLU A 59 2.993 5.137 7.038 1.00 0.00 C ATOM 914 CD GLU A 59 2.484 6.275 7.901 1.00 0.00 C ATOM 915 OE1 GLU A 59 2.625 7.444 7.484 1.00 0.00 O ATOM 916 OE2 GLU A 59 1.946 5.998 8.993 1.00 0.00 O ATOM 0 H GLU A 59 1.375 2.584 6.730 1.00 0.00 H new ATOM 0 HA GLU A 59 1.957 3.525 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.048 5.627 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.035 4.717 6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.136 4.252 7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.969 5.402 6.632 1.00 0.00 H new ATOM 923 N ASP A 60 4.531 2.489 5.739 1.00 0.00 N ATOM 924 CA ASP A 60 5.975 2.290 5.680 1.00 0.00 C ATOM 925 C ASP A 60 6.369 1.546 4.408 1.00 0.00 C ATOM 926 O ASP A 60 7.498 1.666 3.930 1.00 0.00 O ATOM 927 CB ASP A 60 6.456 1.515 6.908 1.00 0.00 C ATOM 928 CG ASP A 60 7.904 1.809 7.247 1.00 0.00 C ATOM 929 OD1 ASP A 60 8.356 2.943 6.986 1.00 0.00 O ATOM 930 OD2 ASP A 60 8.584 0.905 7.775 1.00 0.00 O ATOM 0 H ASP A 60 4.046 1.868 6.386 1.00 0.00 H new ATOM 0 HA ASP A 60 6.452 3.270 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.827 1.767 7.762 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.337 0.446 6.729 1.00 0.00 H new ATOM 935 N LEU A 61 5.433 0.776 3.865 1.00 0.00 N ATOM 936 CA LEU A 61 5.682 0.011 2.648 1.00 0.00 C ATOM 937 C LEU A 61 5.365 0.841 1.408 1.00 0.00 C ATOM 938 O LEU A 61 6.069 0.765 0.401 1.00 0.00 O ATOM 939 CB LEU A 61 4.845 -1.270 2.647 1.00 0.00 C ATOM 940 CG LEU A 61 5.340 -2.397 3.553 1.00 0.00 C ATOM 941 CD1 LEU A 61 4.316 -3.519 3.618 1.00 0.00 C ATOM 942 CD2 LEU A 61 6.682 -2.924 3.064 1.00 0.00 C ATOM 0 H LEU A 61 4.494 0.665 4.248 1.00 0.00 H new ATOM 0 HA LEU A 61 6.739 -0.253 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.827 -1.015 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.796 -1.647 1.626 1.00 0.00 H new ATOM 0 HG LEU A 61 5.474 -1.997 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.686 -4.312 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.378 -3.133 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.149 -3.918 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.019 -3.726 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.575 -3.307 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.414 -2.117 3.071 1.00 0.00 H new ATOM 954 N VAL A 62 4.302 1.634 1.490 1.00 0.00 N ATOM 955 CA VAL A 62 3.893 2.482 0.376 1.00 0.00 C ATOM 956 C VAL A 62 4.446 3.894 0.528 1.00 0.00 C ATOM 957 O VAL A 62 4.962 4.258 1.584 1.00 0.00 O ATOM 958 CB VAL A 62 2.359 2.553 0.258 1.00 0.00 C ATOM 959 CG1 VAL A 62 1.768 1.157 0.135 1.00 0.00 C ATOM 960 CG2 VAL A 62 1.767 3.289 1.450 1.00 0.00 C ATOM 0 H VAL A 62 3.708 1.707 2.316 1.00 0.00 H new ATOM 0 HA VAL A 62 4.299 2.032 -0.530 1.00 0.00 H new ATOM 0 HB VAL A 62 2.106 3.109 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.683 1.227 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.169 0.669 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.028 0.573 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.682 3.330 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.027 2.763 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.166 4.303 1.487 1.00 0.00 H new ATOM 970 N GLU A 63 4.335 4.685 -0.535 1.00 0.00 N ATOM 971 CA GLU A 63 4.824 6.058 -0.519 1.00 0.00 C ATOM 972 C GLU A 63 3.751 7.025 -1.012 1.00 0.00 C ATOM 973 O GLU A 63 2.639 6.616 -1.343 1.00 0.00 O ATOM 974 CB GLU A 63 6.079 6.186 -1.386 1.00 0.00 C ATOM 975 CG GLU A 63 5.850 5.825 -2.844 1.00 0.00 C ATOM 976 CD GLU A 63 5.322 6.991 -3.658 1.00 0.00 C ATOM 977 OE1 GLU A 63 4.121 7.308 -3.529 1.00 0.00 O ATOM 978 OE2 GLU A 63 6.109 7.585 -4.424 1.00 0.00 O ATOM 0 H GLU A 63 3.911 4.398 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 63 5.074 6.315 0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.448 7.210 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.859 5.542 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.787 5.477 -3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.144 4.997 -2.903 1.00 0.00 H new ATOM 985 N GLU A 64 4.094 8.308 -1.058 1.00 0.00 N ATOM 986 CA GLU A 64 3.160 9.333 -1.509 1.00 0.00 C ATOM 987 C GLU A 64 3.508 9.804 -2.918 1.00 0.00 C ATOM 988 O GLU A 64 4.671 10.065 -3.227 1.00 0.00 O ATOM 989 CB GLU A 64 3.166 10.521 -0.545 1.00 0.00 C ATOM 990 CG GLU A 64 4.440 11.347 -0.607 1.00 0.00 C ATOM 991 CD GLU A 64 4.646 12.196 0.633 1.00 0.00 C ATOM 992 OE1 GLU A 64 4.943 11.622 1.702 1.00 0.00 O ATOM 993 OE2 GLU A 64 4.509 13.433 0.535 1.00 0.00 O ATOM 0 H GLU A 64 5.012 8.663 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 64 2.162 8.896 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.315 11.164 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.030 10.154 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.294 10.682 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.407 11.993 -1.484 1.00 0.00 H new ATOM 1000 N VAL A 65 2.492 9.911 -3.768 1.00 0.00 N ATOM 1001 CA VAL A 65 2.689 10.351 -5.144 1.00 0.00 C ATOM 1002 C VAL A 65 2.001 11.688 -5.397 1.00 0.00 C ATOM 1003 O VAL A 65 0.775 11.787 -5.340 1.00 0.00 O ATOM 1004 CB VAL A 65 2.154 9.313 -6.147 1.00 0.00 C ATOM 1005 CG1 VAL A 65 3.241 8.311 -6.509 1.00 0.00 C ATOM 1006 CG2 VAL A 65 0.932 8.605 -5.582 1.00 0.00 C ATOM 0 H VAL A 65 1.524 9.699 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 65 3.763 10.465 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 65 1.855 9.834 -7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.845 7.585 -7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.084 8.835 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.574 7.794 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.568 7.875 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.202 8.096 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.149 9.336 -5.379 1.00 0.00 H new ATOM 1016 N SER A 66 2.798 12.714 -5.676 1.00 0.00 N ATOM 1017 CA SER A 66 2.265 14.047 -5.935 1.00 0.00 C ATOM 1018 C SER A 66 3.336 14.952 -6.536 1.00 0.00 C ATOM 1019 O SER A 66 4.511 14.864 -6.180 1.00 0.00 O ATOM 1020 CB SER A 66 1.726 14.664 -4.643 1.00 0.00 C ATOM 1021 OG SER A 66 1.005 15.855 -4.909 1.00 0.00 O ATOM 0 H SER A 66 3.815 12.648 -5.729 1.00 0.00 H new ATOM 0 HA SER A 66 1.449 13.953 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.078 13.948 -4.137 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.553 14.879 -3.966 1.00 0.00 H new ATOM 0 HG SER A 66 0.669 16.229 -4.068 1.00 0.00 H new ATOM 1027 N GLY A 67 2.921 15.824 -7.450 1.00 0.00 N ATOM 1028 CA GLY A 67 3.856 16.734 -8.086 1.00 0.00 C ATOM 1029 C GLY A 67 3.768 16.691 -9.599 1.00 0.00 C ATOM 1030 O GLY A 67 3.186 15.776 -10.183 1.00 0.00 O ATOM 0 H GLY A 67 1.954 15.916 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.661 17.750 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.871 16.483 -7.777 1.00 0.00 H new ATOM 1034 N PRO A 68 4.354 17.702 -10.258 1.00 0.00 N ATOM 1035 CA PRO A 68 4.351 17.799 -11.721 1.00 0.00 C ATOM 1036 C PRO A 68 5.226 16.736 -12.375 1.00 0.00 C ATOM 1037 O PRO A 68 5.264 16.616 -13.599 1.00 0.00 O ATOM 1038 CB PRO A 68 4.920 19.196 -11.984 1.00 0.00 C ATOM 1039 CG PRO A 68 5.749 19.499 -10.784 1.00 0.00 C ATOM 1040 CD PRO A 68 5.065 18.826 -9.627 1.00 0.00 C ATOM 0 HA PRO A 68 3.356 17.643 -12.138 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.519 19.214 -12.894 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.124 19.930 -12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.765 19.125 -10.907 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.822 20.574 -10.622 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.782 18.481 -8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.377 19.502 -9.118 1.00 0.00 H new ATOM 1048 N SER A 69 5.928 15.965 -11.550 1.00 0.00 N ATOM 1049 CA SER A 69 6.806 14.912 -12.049 1.00 0.00 C ATOM 1050 C SER A 69 6.029 13.919 -12.908 1.00 0.00 C ATOM 1051 O SER A 69 4.862 13.633 -12.644 1.00 0.00 O ATOM 1052 CB SER A 69 7.475 14.182 -10.883 1.00 0.00 C ATOM 1053 OG SER A 69 8.660 14.846 -10.478 1.00 0.00 O ATOM 0 H SER A 69 5.906 16.050 -10.534 1.00 0.00 H new ATOM 0 HA SER A 69 7.575 15.376 -12.667 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.783 14.121 -10.043 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.710 13.159 -11.177 1.00 0.00 H new ATOM 0 HG SER A 69 9.068 14.361 -9.730 1.00 0.00 H new ATOM 1059 N SER A 70 6.687 13.396 -13.938 1.00 0.00 N ATOM 1060 CA SER A 70 6.059 12.437 -14.839 1.00 0.00 C ATOM 1061 C SER A 70 7.109 11.579 -15.537 1.00 0.00 C ATOM 1062 O SER A 70 8.303 11.872 -15.484 1.00 0.00 O ATOM 1063 CB SER A 70 5.206 13.166 -15.879 1.00 0.00 C ATOM 1064 OG SER A 70 4.170 12.330 -16.365 1.00 0.00 O ATOM 0 H SER A 70 7.655 13.620 -14.169 1.00 0.00 H new ATOM 0 HA SER A 70 5.418 11.785 -14.246 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.775 14.064 -15.436 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.835 13.490 -16.708 1.00 0.00 H new ATOM 0 HG SER A 70 3.638 12.819 -17.027 1.00 0.00 H new ATOM 1070 N GLY A 71 6.655 10.515 -16.193 1.00 0.00 N ATOM 1071 CA GLY A 71 7.567 9.629 -16.893 1.00 0.00 C ATOM 1072 C GLY A 71 8.818 9.334 -16.090 1.00 0.00 C ATOM 1073 O GLY A 71 9.815 10.047 -16.197 1.00 0.00 O ATOM 0 H GLY A 71 5.672 10.251 -16.252 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.056 8.693 -17.121 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.848 10.080 -17.845 1.00 0.00 H new TER 1077 GLY A 71