USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 634 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 2 SER OG : rot 180:sc= 0.142 USER MOD Set 1.2: A 5 SER OG : rot 64:sc= 0.107 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.607 X(o=-0.61,f=-1) USER MOD Single : A 8 MET CE :methyl -136:sc= -0.406 (180deg=-4.87!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -167:sc=-0.00528 (180deg=-0.244) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 SER OG : rot -150:sc=-0.00519 USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= -0.0172 (180deg=-0.309) USER MOD Single : A 25 ASN : amide:sc= -0.182 K(o=-0.18,f=-0.84) USER MOD Single : A 28 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.07) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 148:sc= -0.24 (180deg=-1.31!) USER MOD Single : A 37 LYS NZ :NH3+ 142:sc= -0.121 (180deg=-1.61!) USER MOD Single : A 40 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 62:sc= -1.59 USER MOD Single : A 54 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.77!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= 0.0397 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -15.8! C(o=-18!,f=-16!) USER MOD Single : A 68 THR OG1 : rot -145:sc= -0.789! USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0277) USER MOD Single : A 75 THR OG1 : rot -65:sc= -1.09! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0495 X(o=-0.05,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 5.720 -12.943 2.624 1.00 0.00 N ATOM 2 CA ARG A 1 4.292 -12.738 2.799 1.00 0.00 C ATOM 3 C ARG A 1 3.572 -12.842 1.455 1.00 0.00 C ATOM 4 O ARG A 1 2.863 -13.815 1.199 1.00 0.00 O ATOM 5 CB ARG A 1 4.004 -11.370 3.420 1.00 0.00 C ATOM 6 CG ARG A 1 4.090 -11.431 4.947 1.00 0.00 C ATOM 7 CD ARG A 1 4.893 -10.251 5.498 1.00 0.00 C ATOM 8 NE ARG A 1 4.140 -9.592 6.589 1.00 0.00 N ATOM 9 CZ ARG A 1 4.694 -8.780 7.500 1.00 0.00 C ATOM 10 NH1 ARG A 1 6.008 -8.523 7.458 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.934 -8.227 8.455 1.00 0.00 N ATOM 0 H1 ARG A 1 6.197 -12.870 3.545 1.00 0.00 H new ATOM 0 H2 ARG A 1 5.888 -13.887 2.221 1.00 0.00 H new ATOM 0 H3 ARG A 1 6.098 -12.219 1.980 1.00 0.00 H new ATOM 0 HA ARG A 1 3.926 -13.514 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.717 -10.637 3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.011 -11.033 3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.086 -11.423 5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.557 -12.367 5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.857 -10.598 5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.097 -9.535 4.701 1.00 0.00 H new ATOM 0 HE ARG A 1 3.137 -9.767 6.651 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.587 -8.945 6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.429 -7.905 8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 1 2.934 -8.424 8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 1 4.356 -7.609 9.148 1.00 0.00 H new ATOM 25 N SER A 2 3.778 -11.827 0.629 1.00 0.00 N ATOM 26 CA SER A 2 3.157 -11.791 -0.684 1.00 0.00 C ATOM 27 C SER A 2 3.885 -10.789 -1.581 1.00 0.00 C ATOM 28 O SER A 2 3.978 -9.608 -1.249 1.00 0.00 O ATOM 29 CB SER A 2 1.673 -11.433 -0.582 1.00 0.00 C ATOM 30 OG SER A 2 1.471 -10.029 -0.443 1.00 0.00 O ATOM 0 H SER A 2 4.367 -11.022 0.844 1.00 0.00 H new ATOM 0 HA SER A 2 3.233 -12.785 -1.125 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.152 -11.788 -1.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.233 -11.949 0.272 1.00 0.00 H new ATOM 0 HG SER A 2 0.511 -9.841 -0.383 1.00 0.00 H new ATOM 36 N ALA A 3 4.382 -11.295 -2.700 1.00 0.00 N ATOM 37 CA ALA A 3 5.099 -10.458 -3.647 1.00 0.00 C ATOM 38 C ALA A 3 4.282 -9.195 -3.925 1.00 0.00 C ATOM 39 O ALA A 3 4.836 -8.163 -4.301 1.00 0.00 O ATOM 40 CB ALA A 3 5.387 -11.258 -4.919 1.00 0.00 C ATOM 0 H ALA A 3 4.302 -12.275 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 3 6.058 -10.146 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.925 -10.630 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.994 -12.129 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.447 -11.586 -5.363 1.00 0.00 H new ATOM 46 N LEU A 4 2.977 -9.317 -3.729 1.00 0.00 N ATOM 47 CA LEU A 4 2.078 -8.198 -3.954 1.00 0.00 C ATOM 48 C LEU A 4 2.455 -7.051 -3.014 1.00 0.00 C ATOM 49 O LEU A 4 2.529 -5.897 -3.436 1.00 0.00 O ATOM 50 CB LEU A 4 0.621 -8.646 -3.823 1.00 0.00 C ATOM 51 CG LEU A 4 0.104 -9.573 -4.925 1.00 0.00 C ATOM 52 CD1 LEU A 4 0.704 -9.201 -6.282 1.00 0.00 C ATOM 53 CD2 LEU A 4 0.356 -11.040 -4.570 1.00 0.00 C ATOM 0 H LEU A 4 2.521 -10.174 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 4 2.182 -7.825 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.502 -9.151 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.011 -7.758 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.975 -9.441 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.320 -9.876 -7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.431 -8.176 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.790 -9.286 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.021 -11.678 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.426 -11.206 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.158 -11.283 -3.640 1.00 0.00 H new ATOM 65 N SER A 5 2.683 -7.406 -1.759 1.00 0.00 N ATOM 66 CA SER A 5 3.050 -6.421 -0.756 1.00 0.00 C ATOM 67 C SER A 5 3.990 -5.379 -1.367 1.00 0.00 C ATOM 68 O SER A 5 3.855 -4.185 -1.101 1.00 0.00 O ATOM 69 CB SER A 5 3.708 -7.085 0.454 1.00 0.00 C ATOM 70 OG SER A 5 2.750 -7.693 1.317 1.00 0.00 O ATOM 0 H SER A 5 2.621 -8.363 -1.413 1.00 0.00 H new ATOM 0 HA SER A 5 2.141 -5.926 -0.414 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.418 -7.838 0.112 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.277 -6.341 1.011 1.00 0.00 H new ATOM 0 HG SER A 5 2.294 -8.418 0.841 1.00 0.00 H new ATOM 76 N CYS A 6 4.920 -5.868 -2.173 1.00 0.00 N ATOM 77 CA CYS A 6 5.881 -4.994 -2.823 1.00 0.00 C ATOM 78 C CYS A 6 5.111 -3.913 -3.584 1.00 0.00 C ATOM 79 O CYS A 6 5.152 -2.740 -3.215 1.00 0.00 O ATOM 80 CB CYS A 6 6.826 -5.773 -3.740 1.00 0.00 C ATOM 81 SG CYS A 6 7.842 -4.738 -4.855 1.00 0.00 S ATOM 0 H CYS A 6 5.029 -6.859 -2.391 1.00 0.00 H new ATOM 0 HA CYS A 6 6.515 -4.525 -2.070 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.491 -6.378 -3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.236 -6.462 -4.344 1.00 0.00 H new ATOM 86 N GLN A 7 4.426 -4.347 -4.632 1.00 0.00 N ATOM 87 CA GLN A 7 3.647 -3.431 -5.448 1.00 0.00 C ATOM 88 C GLN A 7 2.624 -2.689 -4.584 1.00 0.00 C ATOM 89 O GLN A 7 2.549 -1.462 -4.623 1.00 0.00 O ATOM 90 CB GLN A 7 2.959 -4.170 -6.598 1.00 0.00 C ATOM 91 CG GLN A 7 2.887 -3.292 -7.849 1.00 0.00 C ATOM 92 CD GLN A 7 2.090 -2.014 -7.576 1.00 0.00 C ATOM 93 OE1 GLN A 7 0.999 -2.038 -7.032 1.00 0.00 O ATOM 94 NE2 GLN A 7 2.695 -0.903 -7.985 1.00 0.00 N ATOM 0 H GLN A 7 4.394 -5.321 -4.935 1.00 0.00 H new ATOM 0 HA GLN A 7 4.325 -2.698 -5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.504 -5.087 -6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.953 -4.463 -6.297 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.895 -3.034 -8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 7 2.421 -3.849 -8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.609 -0.956 -8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.245 0.002 -7.850 1.00 0.00 H new ATOM 103 N MET A 8 1.863 -3.465 -3.826 1.00 0.00 N ATOM 104 CA MET A 8 0.849 -2.897 -2.955 1.00 0.00 C ATOM 105 C MET A 8 1.398 -1.694 -2.185 1.00 0.00 C ATOM 106 O MET A 8 0.681 -0.723 -1.950 1.00 0.00 O ATOM 107 CB MET A 8 0.370 -3.961 -1.966 1.00 0.00 C ATOM 108 CG MET A 8 -0.358 -5.095 -2.691 1.00 0.00 C ATOM 109 SD MET A 8 -1.509 -5.889 -1.582 1.00 0.00 S ATOM 110 CE MET A 8 -2.362 -6.955 -2.730 1.00 0.00 C ATOM 0 H MET A 8 1.929 -4.482 -3.797 1.00 0.00 H new ATOM 0 HA MET A 8 0.016 -2.560 -3.571 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.222 -4.363 -1.418 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.296 -3.507 -1.232 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.888 -4.702 -3.558 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.364 -5.823 -3.062 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.434 -6.912 -2.539 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.162 -6.626 -3.750 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.012 -7.980 -2.604 1.00 0.00 H new ATOM 120 N CYS A 9 2.665 -1.799 -1.814 1.00 0.00 N ATOM 121 CA CYS A 9 3.320 -0.732 -1.075 1.00 0.00 C ATOM 122 C CYS A 9 3.417 0.493 -1.985 1.00 0.00 C ATOM 123 O CYS A 9 3.216 1.621 -1.539 1.00 0.00 O ATOM 124 CB CYS A 9 4.691 -1.165 -0.552 1.00 0.00 C ATOM 125 SG CYS A 9 5.881 0.201 -0.297 1.00 0.00 S ATOM 0 H CYS A 9 3.256 -2.606 -2.011 1.00 0.00 H new ATOM 0 HA CYS A 9 2.730 -0.482 -0.193 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.554 -1.690 0.393 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.123 -1.878 -1.254 1.00 0.00 H new ATOM 130 N GLU A 10 3.727 0.230 -3.248 1.00 0.00 N ATOM 131 CA GLU A 10 3.853 1.298 -4.225 1.00 0.00 C ATOM 132 C GLU A 10 2.488 1.934 -4.496 1.00 0.00 C ATOM 133 O GLU A 10 2.397 2.946 -5.188 1.00 0.00 O ATOM 134 CB GLU A 10 4.484 0.783 -5.520 1.00 0.00 C ATOM 135 CG GLU A 10 6.003 0.971 -5.502 1.00 0.00 C ATOM 136 CD GLU A 10 6.721 -0.338 -5.834 1.00 0.00 C ATOM 137 OE1 GLU A 10 6.679 -1.244 -4.973 1.00 0.00 O ATOM 138 OE2 GLU A 10 7.297 -0.404 -6.942 1.00 0.00 O ATOM 0 H GLU A 10 3.894 -0.707 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 10 4.513 2.063 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.246 -0.273 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.058 1.313 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.287 1.738 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.318 1.324 -4.520 1.00 0.00 H new ATOM 146 N LEU A 11 1.460 1.313 -3.935 1.00 0.00 N ATOM 147 CA LEU A 11 0.104 1.807 -4.108 1.00 0.00 C ATOM 148 C LEU A 11 -0.250 2.731 -2.942 1.00 0.00 C ATOM 149 O LEU A 11 -0.769 3.828 -3.149 1.00 0.00 O ATOM 150 CB LEU A 11 -0.871 0.642 -4.287 1.00 0.00 C ATOM 151 CG LEU A 11 -2.356 1.009 -4.321 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.686 1.844 -5.559 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.232 -0.242 -4.222 1.00 0.00 C ATOM 0 H LEU A 11 1.539 0.473 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 11 0.028 2.400 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.623 0.126 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.711 -0.068 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.576 1.626 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.748 2.091 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.099 2.763 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.446 1.274 -6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.283 0.047 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.016 -0.904 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.022 -0.760 -3.287 1.00 0.00 H new ATOM 165 N VAL A 12 0.045 2.256 -1.741 1.00 0.00 N ATOM 166 CA VAL A 12 -0.236 3.026 -0.542 1.00 0.00 C ATOM 167 C VAL A 12 0.612 4.301 -0.549 1.00 0.00 C ATOM 168 O VAL A 12 0.123 5.377 -0.209 1.00 0.00 O ATOM 169 CB VAL A 12 -0.005 2.164 0.701 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.717 0.816 0.571 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.489 1.971 0.965 1.00 0.00 C ATOM 0 H VAL A 12 0.476 1.347 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.283 3.330 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.431 2.688 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.537 0.222 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.788 0.980 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.333 0.284 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.625 1.355 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.949 1.479 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.959 2.942 1.121 1.00 0.00 H new ATOM 181 N VAL A 13 1.866 4.137 -0.942 1.00 0.00 N ATOM 182 CA VAL A 13 2.785 5.260 -0.998 1.00 0.00 C ATOM 183 C VAL A 13 2.304 6.254 -2.058 1.00 0.00 C ATOM 184 O VAL A 13 2.045 7.418 -1.750 1.00 0.00 O ATOM 185 CB VAL A 13 4.209 4.760 -1.251 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.668 3.825 -0.130 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.316 4.075 -2.615 1.00 0.00 C ATOM 0 H VAL A 13 2.267 3.243 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 13 2.804 5.785 -0.043 1.00 0.00 H new ATOM 0 HB VAL A 13 4.872 5.625 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.683 3.484 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.649 4.359 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.000 2.965 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.338 3.729 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.636 3.224 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.050 4.783 -3.400 1.00 0.00 H new ATOM 197 N LYS A 14 2.200 5.760 -3.282 1.00 0.00 N ATOM 198 CA LYS A 14 1.754 6.591 -4.389 1.00 0.00 C ATOM 199 C LYS A 14 0.519 7.384 -3.960 1.00 0.00 C ATOM 200 O LYS A 14 0.299 8.499 -4.431 1.00 0.00 O ATOM 201 CB LYS A 14 1.535 5.740 -5.642 1.00 0.00 C ATOM 202 CG LYS A 14 1.202 6.620 -6.849 1.00 0.00 C ATOM 203 CD LYS A 14 2.135 6.316 -8.023 1.00 0.00 C ATOM 204 CE LYS A 14 1.506 5.294 -8.972 1.00 0.00 C ATOM 205 NZ LYS A 14 0.727 5.979 -10.028 1.00 0.00 N ATOM 0 H LYS A 14 2.417 4.795 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 14 2.522 7.317 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.431 5.155 -5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.725 5.032 -5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.167 6.455 -7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.290 7.671 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.354 7.235 -8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.084 5.934 -7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.286 4.682 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.857 4.620 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.307 5.271 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.029 6.544 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.355 6.604 -10.573 1.00 0.00 H new ATOM 219 N LYS A 15 -0.255 6.779 -3.071 1.00 0.00 N ATOM 220 CA LYS A 15 -1.463 7.415 -2.574 1.00 0.00 C ATOM 221 C LYS A 15 -1.091 8.424 -1.485 1.00 0.00 C ATOM 222 O LYS A 15 -1.647 9.520 -1.434 1.00 0.00 O ATOM 223 CB LYS A 15 -2.474 6.362 -2.117 1.00 0.00 C ATOM 224 CG LYS A 15 -3.059 5.609 -3.314 1.00 0.00 C ATOM 225 CD LYS A 15 -3.909 6.538 -4.184 1.00 0.00 C ATOM 226 CE LYS A 15 -3.445 6.498 -5.641 1.00 0.00 C ATOM 227 NZ LYS A 15 -2.651 7.704 -5.967 1.00 0.00 N ATOM 0 H LYS A 15 -0.069 5.855 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.956 7.972 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.990 5.657 -1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.277 6.842 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.252 5.184 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.668 4.776 -2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.956 6.242 -4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.844 7.558 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.846 5.604 -5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.309 6.435 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.532 7.773 -6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.145 8.550 -5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.717 7.638 -5.514 1.00 0.00 H new ATOM 241 N TYR A 16 -0.154 8.018 -0.641 1.00 0.00 N ATOM 242 CA TYR A 16 0.299 8.872 0.443 1.00 0.00 C ATOM 243 C TYR A 16 1.250 9.954 -0.071 1.00 0.00 C ATOM 244 O TYR A 16 0.903 11.134 -0.088 1.00 0.00 O ATOM 245 CB TYR A 16 1.057 7.960 1.410 1.00 0.00 C ATOM 246 CG TYR A 16 1.808 8.709 2.512 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.514 10.033 2.770 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.779 8.063 3.249 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.220 10.739 3.808 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.485 8.768 4.287 1.00 0.00 C ATOM 251 CZ TYR A 16 3.172 10.071 4.516 1.00 0.00 C ATOM 252 OH TYR A 16 3.838 10.737 5.496 1.00 0.00 O ATOM 0 H TYR A 16 0.304 7.108 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.546 9.372 0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.351 7.269 1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.768 7.359 0.844 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.754 10.540 2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.010 7.027 3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.999 11.775 4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.247 8.273 4.871 1.00 0.00 H new ATOM 0 HH TYR A 16 3.255 11.426 5.877 1.00 0.00 H new ATOM 262 N GLU A 17 2.431 9.514 -0.479 1.00 0.00 N ATOM 263 CA GLU A 17 3.435 10.430 -0.993 1.00 0.00 C ATOM 264 C GLU A 17 2.786 11.467 -1.912 1.00 0.00 C ATOM 265 O GLU A 17 3.136 12.645 -1.870 1.00 0.00 O ATOM 266 CB GLU A 17 4.548 9.673 -1.719 1.00 0.00 C ATOM 267 CG GLU A 17 5.538 9.065 -0.724 1.00 0.00 C ATOM 268 CD GLU A 17 6.377 10.154 -0.051 1.00 0.00 C ATOM 269 OE1 GLU A 17 5.877 10.719 0.946 1.00 0.00 O ATOM 270 OE2 GLU A 17 7.498 10.396 -0.549 1.00 0.00 O ATOM 0 H GLU A 17 2.715 8.535 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 17 3.887 10.953 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.115 8.884 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.074 10.350 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.996 8.498 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.193 8.363 -1.240 1.00 0.00 H new ATOM 278 N GLY A 18 1.852 10.991 -2.723 1.00 0.00 N ATOM 279 CA GLY A 18 1.151 11.861 -3.651 1.00 0.00 C ATOM 280 C GLY A 18 -0.318 12.016 -3.254 1.00 0.00 C ATOM 281 O GLY A 18 -1.206 11.941 -4.103 1.00 0.00 O ATOM 0 H GLY A 18 1.565 10.013 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.631 12.839 -3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.218 11.452 -4.659 1.00 0.00 H new ATOM 285 N SER A 19 -0.530 12.231 -1.964 1.00 0.00 N ATOM 286 CA SER A 19 -1.876 12.398 -1.444 1.00 0.00 C ATOM 287 C SER A 19 -2.268 13.877 -1.469 1.00 0.00 C ATOM 288 O SER A 19 -3.354 14.228 -1.926 1.00 0.00 O ATOM 289 CB SER A 19 -1.990 11.843 -0.023 1.00 0.00 C ATOM 290 OG SER A 19 -3.306 11.374 0.263 1.00 0.00 O ATOM 0 H SER A 19 0.209 12.293 -1.263 1.00 0.00 H new ATOM 0 HA SER A 19 -2.560 11.837 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.278 11.027 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.718 12.619 0.692 1.00 0.00 H new ATOM 0 HG SER A 19 -3.489 11.478 1.220 1.00 0.00 H new ATOM 296 N ALA A 20 -1.360 14.705 -0.971 1.00 0.00 N ATOM 297 CA ALA A 20 -1.597 16.137 -0.930 1.00 0.00 C ATOM 298 C ALA A 20 -2.491 16.470 0.265 1.00 0.00 C ATOM 299 O ALA A 20 -2.790 17.635 0.517 1.00 0.00 O ATOM 300 CB ALA A 20 -2.205 16.592 -2.259 1.00 0.00 C ATOM 0 H ALA A 20 -0.460 14.411 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.659 16.677 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.383 17.667 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.517 16.361 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.149 16.072 -2.424 1.00 0.00 H new ATOM 306 N ASP A 21 -2.894 15.423 0.970 1.00 0.00 N ATOM 307 CA ASP A 21 -3.749 15.588 2.134 1.00 0.00 C ATOM 308 C ASP A 21 -3.016 15.075 3.375 1.00 0.00 C ATOM 309 O ASP A 21 -3.322 15.487 4.494 1.00 0.00 O ATOM 310 CB ASP A 21 -5.044 14.787 1.984 1.00 0.00 C ATOM 311 CG ASP A 21 -6.296 15.476 2.529 1.00 0.00 C ATOM 312 OD1 ASP A 21 -6.239 15.915 3.698 1.00 0.00 O ATOM 313 OD2 ASP A 21 -7.283 15.548 1.764 1.00 0.00 O ATOM 0 H ASP A 21 -2.644 14.457 0.758 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.990 16.647 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.198 14.569 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.923 13.831 2.493 1.00 0.00 H new ATOM 319 N LYS A 22 -2.066 14.184 3.137 1.00 0.00 N ATOM 320 CA LYS A 22 -1.289 13.610 4.223 1.00 0.00 C ATOM 321 C LYS A 22 -2.238 12.995 5.254 1.00 0.00 C ATOM 322 O LYS A 22 -2.308 13.458 6.391 1.00 0.00 O ATOM 323 CB LYS A 22 -0.336 14.653 4.809 1.00 0.00 C ATOM 324 CG LYS A 22 0.977 14.699 4.024 1.00 0.00 C ATOM 325 CD LYS A 22 0.714 14.710 2.517 1.00 0.00 C ATOM 326 CE LYS A 22 0.005 15.997 2.093 1.00 0.00 C ATOM 327 NZ LYS A 22 0.881 17.169 2.313 1.00 0.00 N ATOM 0 H LYS A 22 -1.816 13.845 2.208 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.654 12.804 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.810 15.635 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.131 14.418 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.542 15.588 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.591 13.836 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.657 14.616 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.105 13.848 2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.273 15.936 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.918 16.114 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.530 17.974 1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.880 17.419 3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.850 16.939 2.015 1.00 0.00 H new ATOM 341 N ASP A 23 -2.943 11.960 4.820 1.00 0.00 N ATOM 342 CA ASP A 23 -3.884 11.278 5.692 1.00 0.00 C ATOM 343 C ASP A 23 -3.871 9.781 5.375 1.00 0.00 C ATOM 344 O ASP A 23 -4.336 9.364 4.315 1.00 0.00 O ATOM 345 CB ASP A 23 -5.308 11.795 5.478 1.00 0.00 C ATOM 346 CG ASP A 23 -5.861 12.654 6.616 1.00 0.00 C ATOM 347 OD1 ASP A 23 -5.093 12.892 7.573 1.00 0.00 O ATOM 348 OD2 ASP A 23 -7.040 13.053 6.503 1.00 0.00 O ATOM 0 H ASP A 23 -2.881 11.578 3.876 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.585 11.464 6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.332 12.378 4.558 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.970 10.942 5.332 1.00 0.00 H new ATOM 354 N ALA A 24 -3.334 9.015 6.313 1.00 0.00 N ATOM 355 CA ALA A 24 -3.255 7.573 6.147 1.00 0.00 C ATOM 356 C ALA A 24 -4.664 7.009 5.952 1.00 0.00 C ATOM 357 O ALA A 24 -4.826 5.865 5.530 1.00 0.00 O ATOM 358 CB ALA A 24 -2.542 6.959 7.352 1.00 0.00 C ATOM 0 H ALA A 24 -2.949 9.365 7.190 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.673 7.319 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.483 5.878 7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.536 7.371 7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.098 7.190 8.260 1.00 0.00 H new ATOM 364 N ASN A 25 -5.648 7.837 6.270 1.00 0.00 N ATOM 365 CA ASN A 25 -7.038 7.435 6.137 1.00 0.00 C ATOM 366 C ASN A 25 -7.443 7.499 4.662 1.00 0.00 C ATOM 367 O ASN A 25 -7.863 6.497 4.086 1.00 0.00 O ATOM 368 CB ASN A 25 -7.961 8.371 6.921 1.00 0.00 C ATOM 369 CG ASN A 25 -8.692 7.614 8.031 1.00 0.00 C ATOM 370 OD1 ASN A 25 -9.021 6.447 7.910 1.00 0.00 O ATOM 371 ND2 ASN A 25 -8.927 8.345 9.118 1.00 0.00 N ATOM 0 H ASN A 25 -5.510 8.785 6.620 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.135 6.422 6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.378 9.185 7.353 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.687 8.823 6.245 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.410 7.932 9.916 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.624 9.318 9.153 1.00 0.00 H new ATOM 378 N VAL A 26 -7.302 8.687 4.093 1.00 0.00 N ATOM 379 CA VAL A 26 -7.648 8.895 2.698 1.00 0.00 C ATOM 380 C VAL A 26 -6.626 8.179 1.812 1.00 0.00 C ATOM 381 O VAL A 26 -6.837 8.031 0.609 1.00 0.00 O ATOM 382 CB VAL A 26 -7.752 10.392 2.401 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.688 10.654 1.220 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.203 11.166 3.641 1.00 0.00 C ATOM 0 H VAL A 26 -6.952 9.516 4.574 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.626 8.466 2.479 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.759 10.749 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.744 11.726 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.306 10.148 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.683 10.275 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.269 12.228 3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.180 10.804 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.481 11.018 4.444 1.00 0.00 H new ATOM 394 N ILE A 27 -5.541 7.754 2.441 1.00 0.00 N ATOM 395 CA ILE A 27 -4.485 7.058 1.724 1.00 0.00 C ATOM 396 C ILE A 27 -4.770 5.555 1.740 1.00 0.00 C ATOM 397 O ILE A 27 -5.129 4.976 0.716 1.00 0.00 O ATOM 398 CB ILE A 27 -3.115 7.430 2.294 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.807 8.910 2.059 1.00 0.00 C ATOM 400 CG2 ILE A 27 -2.021 6.520 1.730 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.672 9.384 2.968 1.00 0.00 C ATOM 0 H ILE A 27 -5.370 7.878 3.439 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.465 7.369 0.679 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.140 7.274 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.532 9.067 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.701 9.505 2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.057 6.806 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.239 5.484 1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.987 6.621 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.473 10.439 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.960 9.248 4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.773 8.803 2.761 1.00 0.00 H new ATOM 413 N LYS A 28 -4.599 4.965 2.914 1.00 0.00 N ATOM 414 CA LYS A 28 -4.834 3.540 3.077 1.00 0.00 C ATOM 415 C LYS A 28 -6.072 3.136 2.275 1.00 0.00 C ATOM 416 O LYS A 28 -6.094 2.076 1.649 1.00 0.00 O ATOM 417 CB LYS A 28 -4.918 3.177 4.561 1.00 0.00 C ATOM 418 CG LYS A 28 -6.348 3.329 5.083 1.00 0.00 C ATOM 419 CD LYS A 28 -6.545 2.545 6.382 1.00 0.00 C ATOM 420 CE LYS A 28 -5.664 3.104 7.500 1.00 0.00 C ATOM 421 NZ LYS A 28 -6.310 4.277 8.130 1.00 0.00 N ATOM 0 H LYS A 28 -4.301 5.448 3.762 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.995 2.968 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.581 2.151 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.248 3.818 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.566 4.383 5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.053 2.976 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.592 2.590 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.306 1.495 6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.485 2.333 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.692 3.389 7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.649 5.080 8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.164 4.532 7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.572 4.045 9.109 1.00 0.00 H new ATOM 435 N LYS A 29 -7.074 4.002 2.317 1.00 0.00 N ATOM 436 CA LYS A 29 -8.314 3.749 1.602 1.00 0.00 C ATOM 437 C LYS A 29 -8.063 3.876 0.098 1.00 0.00 C ATOM 438 O LYS A 29 -8.468 3.011 -0.677 1.00 0.00 O ATOM 439 CB LYS A 29 -9.427 4.662 2.120 1.00 0.00 C ATOM 440 CG LYS A 29 -10.095 4.062 3.358 1.00 0.00 C ATOM 441 CD LYS A 29 -10.567 5.161 4.313 1.00 0.00 C ATOM 442 CE LYS A 29 -11.325 6.255 3.557 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.625 5.743 3.070 1.00 0.00 N ATOM 0 H LYS A 29 -7.053 4.880 2.835 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.659 2.731 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.015 5.642 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.171 4.814 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.944 3.448 3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.393 3.405 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.211 4.730 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.709 5.596 4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.487 7.112 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.727 6.605 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.126 6.498 2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.464 4.940 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.200 5.431 3.878 1.00 0.00 H new ATOM 457 N ASP A 30 -7.399 4.961 -0.270 1.00 0.00 N ATOM 458 CA ASP A 30 -7.090 5.212 -1.668 1.00 0.00 C ATOM 459 C ASP A 30 -6.507 3.944 -2.293 1.00 0.00 C ATOM 460 O ASP A 30 -6.953 3.508 -3.353 1.00 0.00 O ATOM 461 CB ASP A 30 -6.054 6.329 -1.811 1.00 0.00 C ATOM 462 CG ASP A 30 -6.462 7.475 -2.740 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.117 7.171 -3.761 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.112 8.627 -2.408 1.00 0.00 O ATOM 0 H ASP A 30 -7.066 5.677 0.375 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.012 5.508 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.845 6.739 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.124 5.896 -2.179 1.00 0.00 H new ATOM 470 N PHE A 31 -5.518 3.387 -1.609 1.00 0.00 N ATOM 471 CA PHE A 31 -4.868 2.176 -2.084 1.00 0.00 C ATOM 472 C PHE A 31 -5.901 1.118 -2.476 1.00 0.00 C ATOM 473 O PHE A 31 -5.943 0.682 -3.626 1.00 0.00 O ATOM 474 CB PHE A 31 -4.021 1.641 -0.929 1.00 0.00 C ATOM 475 CG PHE A 31 -3.634 0.167 -1.071 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.491 -0.804 -0.655 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.433 -0.171 -1.615 1.00 0.00 C ATOM 478 CE1 PHE A 31 -4.131 -2.171 -0.787 1.00 0.00 C ATOM 479 CE2 PHE A 31 -2.075 -1.539 -1.747 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.932 -2.510 -1.330 1.00 0.00 C ATOM 0 H PHE A 31 -5.151 3.751 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.263 2.398 -2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.113 2.239 -0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.571 1.773 0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.444 -0.535 -0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.753 0.600 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.811 -2.942 -0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.122 -1.809 -2.178 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.660 -3.550 -1.430 1.00 0.00 H new ATOM 490 N ASP A 32 -6.709 0.736 -1.499 1.00 0.00 N ATOM 491 CA ASP A 32 -7.740 -0.264 -1.727 1.00 0.00 C ATOM 492 C ASP A 32 -8.622 0.177 -2.895 1.00 0.00 C ATOM 493 O ASP A 32 -9.307 -0.642 -3.505 1.00 0.00 O ATOM 494 CB ASP A 32 -8.633 -0.426 -0.496 1.00 0.00 C ATOM 495 CG ASP A 32 -9.169 -1.841 -0.267 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.204 -2.601 -1.259 1.00 0.00 O ATOM 497 OD2 ASP A 32 -9.533 -2.130 0.894 1.00 0.00 O ATOM 0 H ASP A 32 -6.672 1.100 -0.547 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.248 -1.212 -1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.070 -0.120 0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.478 0.256 -0.587 1.00 0.00 H new ATOM 503 N ALA A 33 -8.577 1.473 -3.174 1.00 0.00 N ATOM 504 CA ALA A 33 -9.364 2.033 -4.260 1.00 0.00 C ATOM 505 C ALA A 33 -8.758 1.604 -5.597 1.00 0.00 C ATOM 506 O ALA A 33 -9.318 0.758 -6.293 1.00 0.00 O ATOM 507 CB ALA A 33 -9.429 3.554 -4.110 1.00 0.00 C ATOM 0 H ALA A 33 -8.008 2.150 -2.667 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.387 1.658 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.019 3.975 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.894 3.806 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.420 3.966 -4.142 1.00 0.00 H new ATOM 513 N GLU A 34 -7.623 2.206 -5.918 1.00 0.00 N ATOM 514 CA GLU A 34 -6.936 1.897 -7.160 1.00 0.00 C ATOM 515 C GLU A 34 -6.716 0.387 -7.282 1.00 0.00 C ATOM 516 O GLU A 34 -6.603 -0.138 -8.388 1.00 0.00 O ATOM 517 CB GLU A 34 -5.610 2.654 -7.256 1.00 0.00 C ATOM 518 CG GLU A 34 -5.104 2.692 -8.699 1.00 0.00 C ATOM 519 CD GLU A 34 -6.188 3.208 -9.647 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.327 4.448 -9.727 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.852 2.352 -10.270 1.00 0.00 O ATOM 0 H GLU A 34 -7.161 2.907 -5.339 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.563 2.222 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.740 3.671 -6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.867 2.175 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.225 3.333 -8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.793 1.693 -9.006 1.00 0.00 H new ATOM 529 N CYS A 35 -6.661 -0.265 -6.131 1.00 0.00 N ATOM 530 CA CYS A 35 -6.456 -1.704 -6.097 1.00 0.00 C ATOM 531 C CYS A 35 -7.756 -2.385 -6.529 1.00 0.00 C ATOM 532 O CYS A 35 -7.742 -3.272 -7.382 1.00 0.00 O ATOM 533 CB CYS A 35 -5.997 -2.176 -4.715 1.00 0.00 C ATOM 534 SG CYS A 35 -6.622 -3.824 -4.220 1.00 0.00 S ATOM 0 H CYS A 35 -6.755 0.175 -5.216 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.658 -1.977 -6.787 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.907 -2.196 -4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.315 -1.444 -3.972 1.00 0.00 H new ATOM 539 N LYS A 36 -8.848 -1.944 -5.923 1.00 0.00 N ATOM 540 CA LYS A 36 -10.154 -2.500 -6.235 1.00 0.00 C ATOM 541 C LYS A 36 -10.305 -2.613 -7.754 1.00 0.00 C ATOM 542 O LYS A 36 -11.071 -3.441 -8.245 1.00 0.00 O ATOM 543 CB LYS A 36 -11.259 -1.681 -5.567 1.00 0.00 C ATOM 544 CG LYS A 36 -11.726 -2.345 -4.269 1.00 0.00 C ATOM 545 CD LYS A 36 -12.357 -3.710 -4.549 1.00 0.00 C ATOM 546 CE LYS A 36 -13.425 -4.044 -3.506 1.00 0.00 C ATOM 547 NZ LYS A 36 -14.486 -3.013 -3.502 1.00 0.00 N ATOM 0 H LYS A 36 -8.856 -1.208 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.246 -3.507 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.894 -0.676 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.102 -1.576 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.880 -2.463 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.449 -1.702 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.802 -3.712 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.585 -4.480 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.859 -5.020 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.969 -4.109 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.396 -3.452 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.254 -2.278 -2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.556 -2.583 -4.446 1.00 0.00 H new ATOM 561 N LYS A 37 -9.562 -1.769 -8.455 1.00 0.00 N ATOM 562 CA LYS A 37 -9.604 -1.763 -9.908 1.00 0.00 C ATOM 563 C LYS A 37 -8.322 -2.396 -10.453 1.00 0.00 C ATOM 564 O LYS A 37 -8.375 -3.264 -11.322 1.00 0.00 O ATOM 565 CB LYS A 37 -9.863 -0.349 -10.431 1.00 0.00 C ATOM 566 CG LYS A 37 -11.058 0.289 -9.719 1.00 0.00 C ATOM 567 CD LYS A 37 -10.655 1.597 -9.037 1.00 0.00 C ATOM 568 CE LYS A 37 -11.806 2.156 -8.198 1.00 0.00 C ATOM 569 NZ LYS A 37 -11.285 2.860 -7.004 1.00 0.00 N ATOM 0 H LYS A 37 -8.927 -1.084 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.436 -2.368 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.976 0.266 -10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.050 -0.383 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.855 0.480 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.457 -0.404 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.786 1.427 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.361 2.328 -9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.403 2.842 -8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.466 1.345 -7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.864 3.704 -6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.326 2.225 -6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.299 3.146 -7.172 1.00 0.00 H new ATOM 583 N LEU A 38 -7.200 -1.937 -9.918 1.00 0.00 N ATOM 584 CA LEU A 38 -5.907 -2.447 -10.339 1.00 0.00 C ATOM 585 C LEU A 38 -5.851 -3.955 -10.087 1.00 0.00 C ATOM 586 O LEU A 38 -5.667 -4.737 -11.018 1.00 0.00 O ATOM 587 CB LEU A 38 -4.777 -1.668 -9.663 1.00 0.00 C ATOM 588 CG LEU A 38 -3.383 -2.293 -9.755 1.00 0.00 C ATOM 589 CD1 LEU A 38 -2.882 -2.308 -11.200 1.00 0.00 C ATOM 590 CD2 LEU A 38 -2.404 -1.588 -8.815 1.00 0.00 C ATOM 0 H LEU A 38 -7.160 -1.217 -9.196 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.769 -2.297 -11.410 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.736 -0.671 -10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.028 -1.542 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.452 -3.331 -9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.890 -2.757 -11.236 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.567 -2.890 -11.816 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.832 -1.287 -11.578 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.421 -2.051 -8.900 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.333 -0.535 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.759 -1.675 -7.788 1.00 0.00 H new ATOM 602 N PHE A 39 -6.014 -4.317 -8.823 1.00 0.00 N ATOM 603 CA PHE A 39 -5.984 -5.718 -8.437 1.00 0.00 C ATOM 604 C PHE A 39 -7.383 -6.333 -8.496 1.00 0.00 C ATOM 605 O PHE A 39 -7.741 -7.154 -7.654 1.00 0.00 O ATOM 606 CB PHE A 39 -5.478 -5.772 -6.993 1.00 0.00 C ATOM 607 CG PHE A 39 -3.986 -5.466 -6.845 1.00 0.00 C ATOM 608 CD1 PHE A 39 -3.083 -6.078 -7.657 1.00 0.00 C ATOM 609 CD2 PHE A 39 -3.563 -4.582 -5.902 1.00 0.00 C ATOM 610 CE1 PHE A 39 -1.698 -5.793 -7.520 1.00 0.00 C ATOM 611 CE2 PHE A 39 -2.179 -4.299 -5.764 1.00 0.00 C ATOM 612 CZ PHE A 39 -1.275 -4.909 -6.576 1.00 0.00 C ATOM 0 H PHE A 39 -6.167 -3.665 -8.053 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.341 -6.278 -9.116 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.046 -5.061 -6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.677 -6.763 -6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.419 -6.780 -8.406 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.280 -4.095 -5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.981 -6.278 -8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.844 -3.599 -5.013 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.222 -4.692 -6.472 1.00 0.00 H new ATOM 622 N HIS A 40 -8.137 -5.912 -9.503 1.00 0.00 N ATOM 623 CA HIS A 40 -9.489 -6.412 -9.684 1.00 0.00 C ATOM 624 C HIS A 40 -9.440 -7.849 -10.205 1.00 0.00 C ATOM 625 O HIS A 40 -10.059 -8.744 -9.631 1.00 0.00 O ATOM 626 CB HIS A 40 -10.295 -5.479 -10.590 1.00 0.00 C ATOM 627 CG HIS A 40 -11.441 -6.156 -11.304 1.00 0.00 C ATOM 628 ND1 HIS A 40 -12.707 -6.266 -10.755 1.00 0.00 N ATOM 629 CD2 HIS A 40 -11.499 -6.755 -12.528 1.00 0.00 C ATOM 630 CE1 HIS A 40 -13.484 -6.905 -11.618 1.00 0.00 C ATOM 631 NE2 HIS A 40 -12.733 -7.208 -12.716 1.00 0.00 N ATOM 0 H HIS A 40 -7.837 -5.231 -10.201 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.006 -6.429 -8.725 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.688 -4.658 -9.991 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.626 -5.042 -11.331 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.680 -6.846 -13.226 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.528 -7.144 -11.477 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.065 -7.701 -13.545 1.00 0.00 H new ATOM 640 N THR A 41 -8.698 -8.026 -11.289 1.00 0.00 N ATOM 641 CA THR A 41 -8.559 -9.340 -11.895 1.00 0.00 C ATOM 642 C THR A 41 -8.047 -10.350 -10.866 1.00 0.00 C ATOM 643 O THR A 41 -8.326 -11.543 -10.972 1.00 0.00 O ATOM 644 CB THR A 41 -7.650 -9.203 -13.118 1.00 0.00 C ATOM 645 OG1 THR A 41 -7.513 -10.537 -13.599 1.00 0.00 O ATOM 646 CG2 THR A 41 -6.223 -8.793 -12.743 1.00 0.00 C ATOM 0 H THR A 41 -8.187 -7.281 -11.763 1.00 0.00 H new ATOM 0 HA THR A 41 -9.522 -9.725 -12.230 1.00 0.00 H new ATOM 0 HB THR A 41 -8.071 -8.467 -13.804 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.939 -10.541 -14.393 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.619 -8.710 -13.647 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.244 -7.831 -12.230 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.789 -9.546 -12.085 1.00 0.00 H new ATOM 654 N ILE A 42 -7.309 -9.835 -9.895 1.00 0.00 N ATOM 655 CA ILE A 42 -6.755 -10.677 -8.849 1.00 0.00 C ATOM 656 C ILE A 42 -7.884 -11.150 -7.931 1.00 0.00 C ATOM 657 O ILE A 42 -8.694 -10.347 -7.472 1.00 0.00 O ATOM 658 CB ILE A 42 -5.630 -9.947 -8.112 1.00 0.00 C ATOM 659 CG1 ILE A 42 -4.647 -9.317 -9.102 1.00 0.00 C ATOM 660 CG2 ILE A 42 -4.928 -10.879 -7.122 1.00 0.00 C ATOM 661 CD1 ILE A 42 -3.916 -10.392 -9.909 1.00 0.00 C ATOM 0 H ILE A 42 -7.081 -8.844 -9.810 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.297 -11.568 -9.280 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.070 -9.135 -7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.183 -8.651 -9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.923 -8.707 -8.562 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.133 -10.335 -6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.649 -11.240 -6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.501 -11.726 -7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.224 -9.917 -10.605 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.361 -11.041 -9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.641 -10.985 -10.467 1.00 0.00 H new ATOM 673 N PRO A 43 -7.902 -12.488 -7.683 1.00 0.00 N ATOM 674 CA PRO A 43 -8.917 -13.077 -6.828 1.00 0.00 C ATOM 675 C PRO A 43 -8.639 -12.773 -5.355 1.00 0.00 C ATOM 676 O PRO A 43 -9.563 -12.530 -4.581 1.00 0.00 O ATOM 677 CB PRO A 43 -8.884 -14.563 -7.144 1.00 0.00 C ATOM 678 CG PRO A 43 -7.544 -14.816 -7.817 1.00 0.00 C ATOM 679 CD PRO A 43 -6.957 -13.470 -8.209 1.00 0.00 C ATOM 0 HA PRO A 43 -9.910 -12.666 -7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.984 -15.158 -6.236 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.709 -14.841 -7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.871 -15.343 -7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.672 -15.447 -8.696 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.963 -13.332 -7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.855 -13.382 -9.291 1.00 0.00 H new ATOM 687 N PHE A 44 -7.359 -12.798 -5.011 1.00 0.00 N ATOM 688 CA PHE A 44 -6.946 -12.528 -3.643 1.00 0.00 C ATOM 689 C PHE A 44 -6.401 -11.105 -3.506 1.00 0.00 C ATOM 690 O PHE A 44 -5.994 -10.694 -2.421 1.00 0.00 O ATOM 691 CB PHE A 44 -5.834 -13.522 -3.308 1.00 0.00 C ATOM 692 CG PHE A 44 -4.830 -13.740 -4.441 1.00 0.00 C ATOM 693 CD1 PHE A 44 -4.047 -12.712 -4.864 1.00 0.00 C ATOM 694 CD2 PHE A 44 -4.722 -14.963 -5.028 1.00 0.00 C ATOM 695 CE1 PHE A 44 -3.116 -12.914 -5.916 1.00 0.00 C ATOM 696 CE2 PHE A 44 -3.791 -15.165 -6.081 1.00 0.00 C ATOM 697 CZ PHE A 44 -3.006 -14.136 -6.502 1.00 0.00 C ATOM 0 H PHE A 44 -6.595 -13.001 -5.655 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.798 -12.628 -2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.299 -13.169 -2.426 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.284 -14.480 -3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.134 -11.741 -4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.344 -15.780 -4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.495 -12.097 -6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.706 -16.135 -6.548 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.296 -14.290 -7.301 1.00 0.00 H new ATOM 707 N GLY A 45 -6.409 -10.392 -4.624 1.00 0.00 N ATOM 708 CA GLY A 45 -5.921 -9.023 -4.641 1.00 0.00 C ATOM 709 C GLY A 45 -6.740 -8.135 -3.704 1.00 0.00 C ATOM 710 O GLY A 45 -6.354 -7.913 -2.557 1.00 0.00 O ATOM 0 H GLY A 45 -6.745 -10.737 -5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.873 -9.003 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.970 -8.629 -5.656 1.00 0.00 H new ATOM 714 N THR A 46 -7.859 -7.652 -4.226 1.00 0.00 N ATOM 715 CA THR A 46 -8.736 -6.793 -3.449 1.00 0.00 C ATOM 716 C THR A 46 -8.794 -7.265 -1.996 1.00 0.00 C ATOM 717 O THR A 46 -8.904 -6.452 -1.079 1.00 0.00 O ATOM 718 CB THR A 46 -10.103 -6.771 -4.136 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.530 -8.130 -4.107 1.00 0.00 O ATOM 720 CG2 THR A 46 -10.005 -6.443 -5.627 1.00 0.00 C ATOM 0 H THR A 46 -8.178 -7.839 -5.177 1.00 0.00 H new ATOM 0 HA THR A 46 -8.358 -5.771 -3.410 1.00 0.00 H new ATOM 0 HB THR A 46 -10.743 -6.038 -3.645 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.410 -8.205 -4.531 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.003 -6.440 -6.065 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.550 -5.461 -5.754 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.392 -7.194 -6.125 1.00 0.00 H new ATOM 728 N ARG A 47 -8.719 -8.577 -1.828 1.00 0.00 N ATOM 729 CA ARG A 47 -8.762 -9.167 -0.502 1.00 0.00 C ATOM 730 C ARG A 47 -7.513 -8.779 0.292 1.00 0.00 C ATOM 731 O ARG A 47 -7.610 -8.130 1.332 1.00 0.00 O ATOM 732 CB ARG A 47 -8.855 -10.692 -0.579 1.00 0.00 C ATOM 733 CG ARG A 47 -10.095 -11.126 -1.364 1.00 0.00 C ATOM 734 CD ARG A 47 -11.371 -10.885 -0.554 1.00 0.00 C ATOM 735 NE ARG A 47 -11.410 -11.798 0.610 1.00 0.00 N ATOM 736 CZ ARG A 47 -12.490 -11.984 1.382 1.00 0.00 C ATOM 737 NH1 ARG A 47 -13.624 -11.322 1.118 1.00 0.00 N ATOM 738 NH2 ARG A 47 -12.434 -12.833 2.418 1.00 0.00 N ATOM 0 H ARG A 47 -8.629 -9.249 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.651 -8.786 0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.960 -11.091 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.893 -11.109 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.147 -10.574 -2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.016 -12.183 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.407 -9.849 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.247 -11.046 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.563 -12.318 0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.666 -10.676 0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.446 -11.464 1.705 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.570 -13.337 2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.255 -12.975 3.006 1.00 0.00 H new ATOM 752 N GLU A 48 -6.367 -9.194 -0.229 1.00 0.00 N ATOM 753 CA GLU A 48 -5.100 -8.899 0.417 1.00 0.00 C ATOM 754 C GLU A 48 -4.946 -7.389 0.618 1.00 0.00 C ATOM 755 O GLU A 48 -4.246 -6.949 1.528 1.00 0.00 O ATOM 756 CB GLU A 48 -3.929 -9.469 -0.385 1.00 0.00 C ATOM 757 CG GLU A 48 -3.057 -10.376 0.485 1.00 0.00 C ATOM 758 CD GLU A 48 -2.833 -9.758 1.867 1.00 0.00 C ATOM 759 OE1 GLU A 48 -2.001 -8.827 1.944 1.00 0.00 O ATOM 760 OE2 GLU A 48 -3.497 -10.230 2.815 1.00 0.00 O ATOM 0 H GLU A 48 -6.290 -9.733 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.093 -9.379 1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.308 -10.032 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.326 -8.653 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.533 -11.351 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.097 -10.541 -0.004 1.00 0.00 H new ATOM 768 N CYS A 49 -5.610 -6.639 -0.250 1.00 0.00 N ATOM 769 CA CYS A 49 -5.555 -5.189 -0.180 1.00 0.00 C ATOM 770 C CYS A 49 -6.150 -4.749 1.160 1.00 0.00 C ATOM 771 O CYS A 49 -5.499 -4.046 1.931 1.00 0.00 O ATOM 772 CB CYS A 49 -6.272 -4.538 -1.364 1.00 0.00 C ATOM 773 SG CYS A 49 -5.263 -4.387 -2.884 1.00 0.00 S ATOM 0 H CYS A 49 -6.188 -7.008 -1.005 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.518 -4.859 -0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.165 -5.119 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.606 -3.544 -1.066 1.00 0.00 H new ATOM 778 N ASP A 50 -7.379 -5.183 1.395 1.00 0.00 N ATOM 779 CA ASP A 50 -8.069 -4.843 2.628 1.00 0.00 C ATOM 780 C ASP A 50 -7.283 -5.400 3.818 1.00 0.00 C ATOM 781 O ASP A 50 -7.528 -5.017 4.961 1.00 0.00 O ATOM 782 CB ASP A 50 -9.472 -5.454 2.661 1.00 0.00 C ATOM 783 CG ASP A 50 -10.480 -4.712 3.540 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.216 -4.625 4.759 1.00 0.00 O ATOM 785 OD2 ASP A 50 -11.493 -4.246 2.972 1.00 0.00 O ATOM 0 H ASP A 50 -7.915 -5.767 0.753 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.147 -3.757 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.859 -5.492 1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.395 -6.483 3.012 1.00 0.00 H new ATOM 791 N HIS A 51 -6.357 -6.293 3.506 1.00 0.00 N ATOM 792 CA HIS A 51 -5.533 -6.906 4.535 1.00 0.00 C ATOM 793 C HIS A 51 -4.149 -6.257 4.539 1.00 0.00 C ATOM 794 O HIS A 51 -3.280 -6.640 5.322 1.00 0.00 O ATOM 795 CB HIS A 51 -5.476 -8.425 4.354 1.00 0.00 C ATOM 796 CG HIS A 51 -6.197 -9.200 5.430 1.00 0.00 C ATOM 797 ND1 HIS A 51 -5.691 -9.356 6.709 1.00 0.00 N ATOM 798 CD2 HIS A 51 -7.390 -9.861 5.406 1.00 0.00 C ATOM 799 CE1 HIS A 51 -6.547 -10.079 7.413 1.00 0.00 C ATOM 800 NE2 HIS A 51 -7.600 -10.392 6.604 1.00 0.00 N ATOM 0 H HIS A 51 -6.158 -6.607 2.556 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.980 -6.732 5.514 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.906 -8.681 3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.432 -8.739 4.332 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.052 -9.939 4.556 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.432 -10.370 8.447 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.414 -10.943 6.875 1.00 0.00 H new ATOM 809 N TYR A 52 -3.983 -5.285 3.654 1.00 0.00 N ATOM 810 CA TYR A 52 -2.718 -4.578 3.545 1.00 0.00 C ATOM 811 C TYR A 52 -2.814 -3.184 4.166 1.00 0.00 C ATOM 812 O TYR A 52 -1.908 -2.754 4.878 1.00 0.00 O ATOM 813 CB TYR A 52 -2.441 -4.439 2.046 1.00 0.00 C ATOM 814 CG TYR A 52 -0.992 -4.081 1.713 1.00 0.00 C ATOM 815 CD1 TYR A 52 0.034 -4.916 2.107 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.709 -2.923 1.017 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.398 -4.579 1.792 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.655 -2.586 0.704 1.00 0.00 C ATOM 819 CZ TYR A 52 1.641 -3.430 1.106 1.00 0.00 C ATOM 820 OH TYR A 52 2.930 -3.111 0.809 1.00 0.00 O ATOM 0 H TYR A 52 -4.704 -4.970 3.005 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.929 -5.119 4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.696 -5.376 1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.098 -3.672 1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.186 -5.822 2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.511 -2.270 0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.210 -5.224 2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.890 -1.682 0.161 1.00 0.00 H new ATOM 0 HH TYR A 52 3.316 -3.807 0.238 1.00 0.00 H new ATOM 830 N VAL A 53 -3.919 -2.515 3.872 1.00 0.00 N ATOM 831 CA VAL A 53 -4.145 -1.177 4.392 1.00 0.00 C ATOM 832 C VAL A 53 -4.619 -1.272 5.844 1.00 0.00 C ATOM 833 O VAL A 53 -5.673 -0.741 6.193 1.00 0.00 O ATOM 834 CB VAL A 53 -5.125 -0.423 3.492 1.00 0.00 C ATOM 835 CG1 VAL A 53 -4.807 -0.664 2.014 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.571 -0.809 3.811 1.00 0.00 C ATOM 0 H VAL A 53 -4.668 -2.875 3.280 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.217 -0.605 4.389 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.011 0.643 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.518 -0.117 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.796 -0.318 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.880 -1.729 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.247 -0.259 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.705 -1.879 3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.792 -0.564 4.850 1.00 0.00 H new ATOM 846 N ASN A 54 -3.821 -1.954 6.651 1.00 0.00 N ATOM 847 CA ASN A 54 -4.146 -2.126 8.056 1.00 0.00 C ATOM 848 C ASN A 54 -3.043 -2.940 8.735 1.00 0.00 C ATOM 849 O ASN A 54 -3.322 -3.779 9.591 1.00 0.00 O ATOM 850 CB ASN A 54 -5.465 -2.883 8.228 1.00 0.00 C ATOM 851 CG ASN A 54 -6.082 -2.603 9.600 1.00 0.00 C ATOM 852 OD1 ASN A 54 -5.400 -2.467 10.602 1.00 0.00 O ATOM 853 ND2 ASN A 54 -7.410 -2.525 9.588 1.00 0.00 N ATOM 0 H ASN A 54 -2.949 -2.395 6.358 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.236 -1.136 8.504 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.163 -2.588 7.444 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.292 -3.953 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.918 -2.341 10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.920 -2.649 8.714 1.00 0.00 H new ATOM 860 N SER A 55 -1.812 -2.665 8.327 1.00 0.00 N ATOM 861 CA SER A 55 -0.665 -3.362 8.885 1.00 0.00 C ATOM 862 C SER A 55 0.599 -2.999 8.104 1.00 0.00 C ATOM 863 O SER A 55 1.679 -2.886 8.681 1.00 0.00 O ATOM 864 CB SER A 55 -0.881 -4.877 8.871 1.00 0.00 C ATOM 865 OG SER A 55 -0.730 -5.449 10.167 1.00 0.00 O ATOM 0 H SER A 55 -1.584 -1.969 7.617 1.00 0.00 H new ATOM 0 HA SER A 55 -0.546 -3.049 9.922 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.879 -5.098 8.491 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.170 -5.338 8.186 1.00 0.00 H new ATOM 0 HG SER A 55 -0.877 -6.417 10.117 1.00 0.00 H new ATOM 871 N LYS A 56 0.422 -2.825 6.802 1.00 0.00 N ATOM 872 CA LYS A 56 1.536 -2.477 5.936 1.00 0.00 C ATOM 873 C LYS A 56 1.390 -1.021 5.487 1.00 0.00 C ATOM 874 O LYS A 56 2.212 -0.519 4.722 1.00 0.00 O ATOM 875 CB LYS A 56 1.644 -3.470 4.778 1.00 0.00 C ATOM 876 CG LYS A 56 1.890 -4.889 5.293 1.00 0.00 C ATOM 877 CD LYS A 56 0.568 -5.607 5.574 1.00 0.00 C ATOM 878 CE LYS A 56 0.812 -6.955 6.255 1.00 0.00 C ATOM 879 NZ LYS A 56 -0.274 -7.906 5.925 1.00 0.00 N ATOM 0 H LYS A 56 -0.475 -2.918 6.326 1.00 0.00 H new ATOM 0 HA LYS A 56 2.479 -2.551 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.728 -3.447 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.457 -3.174 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.465 -5.452 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.488 -4.851 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.061 -4.983 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.027 -5.760 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.771 -7.363 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.869 -6.819 7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.415 -8.561 6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.154 -7.380 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.016 -8.445 5.074 1.00 0.00 H new ATOM 893 N VAL A 57 0.338 -0.385 5.981 1.00 0.00 N ATOM 894 CA VAL A 57 0.074 1.003 5.640 1.00 0.00 C ATOM 895 C VAL A 57 0.587 1.906 6.763 1.00 0.00 C ATOM 896 O VAL A 57 0.844 3.088 6.546 1.00 0.00 O ATOM 897 CB VAL A 57 -1.416 1.197 5.350 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.965 2.413 6.097 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.670 1.314 3.847 1.00 0.00 C ATOM 0 H VAL A 57 -0.342 -0.805 6.615 1.00 0.00 H new ATOM 0 HA VAL A 57 0.607 1.281 4.731 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.946 0.316 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.026 2.529 5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.833 2.271 7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.428 3.307 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.736 1.451 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.123 2.169 3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.332 0.405 3.349 1.00 0.00 H new ATOM 909 N ASP A 58 0.721 1.313 7.942 1.00 0.00 N ATOM 910 CA ASP A 58 1.198 2.050 9.100 1.00 0.00 C ATOM 911 C ASP A 58 2.721 2.174 9.027 1.00 0.00 C ATOM 912 O ASP A 58 3.274 3.241 9.292 1.00 0.00 O ATOM 913 CB ASP A 58 0.845 1.322 10.399 1.00 0.00 C ATOM 914 CG ASP A 58 -0.162 2.049 11.293 1.00 0.00 C ATOM 915 OD1 ASP A 58 -0.242 3.290 11.166 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.829 1.347 12.084 1.00 0.00 O ATOM 0 H ASP A 58 0.508 0.331 8.119 1.00 0.00 H new ATOM 0 HA ASP A 58 0.723 3.031 9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.444 0.339 10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.761 1.158 10.967 1.00 0.00 H new ATOM 922 N PRO A 59 3.374 1.040 8.657 1.00 0.00 N ATOM 923 CA PRO A 59 4.822 1.012 8.546 1.00 0.00 C ATOM 924 C PRO A 59 5.289 1.735 7.281 1.00 0.00 C ATOM 925 O PRO A 59 6.175 2.586 7.339 1.00 0.00 O ATOM 926 CB PRO A 59 5.189 -0.464 8.558 1.00 0.00 C ATOM 927 CG PRO A 59 3.914 -1.213 8.207 1.00 0.00 C ATOM 928 CD PRO A 59 2.752 -0.242 8.336 1.00 0.00 C ATOM 0 HA PRO A 59 5.317 1.538 9.362 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.978 -0.676 7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.562 -0.766 9.537 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.970 -1.608 7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.776 -2.064 8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.180 -0.184 7.410 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.060 -0.554 9.119 1.00 0.00 H new ATOM 936 N ILE A 60 4.672 1.368 6.167 1.00 0.00 N ATOM 937 CA ILE A 60 5.014 1.971 4.890 1.00 0.00 C ATOM 938 C ILE A 60 5.040 3.493 5.040 1.00 0.00 C ATOM 939 O ILE A 60 5.994 4.145 4.618 1.00 0.00 O ATOM 940 CB ILE A 60 4.067 1.477 3.793 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.463 0.079 3.315 1.00 0.00 C ATOM 942 CG2 ILE A 60 3.993 2.479 2.640 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.526 -0.408 2.208 1.00 0.00 C ATOM 0 H ILE A 60 3.938 0.661 6.122 1.00 0.00 H new ATOM 0 HA ILE A 60 6.013 1.664 4.579 1.00 0.00 H new ATOM 0 HB ILE A 60 3.065 1.400 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.489 0.094 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.434 -0.617 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.314 2.104 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.627 3.436 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.986 2.613 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.830 -1.404 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.504 -0.445 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.575 0.277 1.362 1.00 0.00 H new ATOM 955 N ILE A 61 3.981 4.015 5.642 1.00 0.00 N ATOM 956 CA ILE A 61 3.871 5.449 5.852 1.00 0.00 C ATOM 957 C ILE A 61 4.886 5.884 6.910 1.00 0.00 C ATOM 958 O ILE A 61 5.191 7.069 7.033 1.00 0.00 O ATOM 959 CB ILE A 61 2.429 5.831 6.190 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.455 5.275 5.147 1.00 0.00 C ATOM 961 CG2 ILE A 61 2.287 7.345 6.356 1.00 0.00 C ATOM 962 CD1 ILE A 61 0.004 5.505 5.575 1.00 0.00 C ATOM 0 H ILE A 61 3.192 3.471 5.991 1.00 0.00 H new ATOM 0 HA ILE A 61 4.113 5.988 4.936 1.00 0.00 H new ATOM 0 HB ILE A 61 2.171 5.377 7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.634 5.754 4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.633 4.208 5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.252 7.589 6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.936 7.685 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.571 7.841 5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.667 5.101 4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.179 5.004 6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.177 6.574 5.687 1.00 0.00 H new ATOM 974 N HIS A 62 5.381 4.901 7.649 1.00 0.00 N ATOM 975 CA HIS A 62 6.356 5.168 8.693 1.00 0.00 C ATOM 976 C HIS A 62 7.722 5.442 8.062 1.00 0.00 C ATOM 977 O HIS A 62 8.604 6.010 8.704 1.00 0.00 O ATOM 978 CB HIS A 62 6.391 4.023 9.708 1.00 0.00 C ATOM 979 CG HIS A 62 7.526 3.048 9.496 1.00 0.00 C ATOM 980 ND1 HIS A 62 8.285 2.792 8.392 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 7.986 2.207 10.493 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 9.163 1.845 8.699 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 8.980 1.480 10.000 1.00 0.00 N flip ATOM 0 H HIS A 62 5.125 3.919 7.545 1.00 0.00 H new ATOM 0 HA HIS A 62 6.065 6.060 9.248 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.469 4.443 10.711 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.447 3.481 9.661 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.602 2.152 11.501 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.901 1.431 8.028 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.514 0.772 10.505 1.00 0.00 H new ATOM 992 N GLU A 63 7.855 5.027 6.810 1.00 0.00 N ATOM 993 CA GLU A 63 9.098 5.222 6.085 1.00 0.00 C ATOM 994 C GLU A 63 9.062 6.544 5.316 1.00 0.00 C ATOM 995 O GLU A 63 10.025 7.310 5.346 1.00 0.00 O ATOM 996 CB GLU A 63 9.374 4.046 5.145 1.00 0.00 C ATOM 997 CG GLU A 63 10.352 3.055 5.779 1.00 0.00 C ATOM 998 CD GLU A 63 11.761 3.645 5.853 1.00 0.00 C ATOM 999 OE1 GLU A 63 11.922 4.638 6.596 1.00 0.00 O ATOM 1000 OE2 GLU A 63 12.646 3.092 5.165 1.00 0.00 O ATOM 0 H GLU A 63 7.122 4.556 6.280 1.00 0.00 H new ATOM 0 HA GLU A 63 9.914 5.267 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.439 3.538 4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.784 4.416 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.011 2.793 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.370 2.134 5.197 1.00 0.00 H new ATOM 1008 N LEU A 64 7.944 6.770 4.643 1.00 0.00 N ATOM 1009 CA LEU A 64 7.771 7.985 3.866 1.00 0.00 C ATOM 1010 C LEU A 64 7.738 9.188 4.811 1.00 0.00 C ATOM 1011 O LEU A 64 8.236 10.262 4.473 1.00 0.00 O ATOM 1012 CB LEU A 64 6.537 7.876 2.968 1.00 0.00 C ATOM 1013 CG LEU A 64 6.391 6.570 2.185 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.958 6.391 1.679 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.414 6.495 1.049 1.00 0.00 C ATOM 0 H LEU A 64 7.149 6.132 4.620 1.00 0.00 H new ATOM 0 HA LEU A 64 8.616 8.130 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.649 8.007 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.555 8.702 2.258 1.00 0.00 H new ATOM 0 HG LEU A 64 6.599 5.741 2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.882 5.455 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.273 6.368 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.697 7.222 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.289 5.557 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.261 7.331 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.421 6.544 1.463 1.00 0.00 H new ATOM 1027 N GLU A 65 7.148 8.970 5.976 1.00 0.00 N ATOM 1028 CA GLU A 65 7.045 10.023 6.973 1.00 0.00 C ATOM 1029 C GLU A 65 8.392 10.228 7.669 1.00 0.00 C ATOM 1030 O GLU A 65 8.747 11.352 8.022 1.00 0.00 O ATOM 1031 CB GLU A 65 5.944 9.710 7.988 1.00 0.00 C ATOM 1032 CG GLU A 65 6.414 8.665 9.002 1.00 0.00 C ATOM 1033 CD GLU A 65 7.127 9.327 10.183 1.00 0.00 C ATOM 1034 OE1 GLU A 65 6.626 10.383 10.628 1.00 0.00 O ATOM 1035 OE2 GLU A 65 8.156 8.764 10.614 1.00 0.00 O ATOM 0 H GLU A 65 6.736 8.079 6.253 1.00 0.00 H new ATOM 0 HA GLU A 65 6.775 10.951 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.654 10.623 8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.058 9.345 7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.559 8.093 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.087 7.959 8.516 1.00 0.00 H new ATOM 1043 N GLY A 66 9.105 9.126 7.846 1.00 0.00 N ATOM 1044 CA GLY A 66 10.405 9.172 8.494 1.00 0.00 C ATOM 1045 C GLY A 66 11.425 9.909 7.625 1.00 0.00 C ATOM 1046 O GLY A 66 12.146 10.778 8.111 1.00 0.00 O ATOM 0 H GLY A 66 8.807 8.196 7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.317 9.671 9.459 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.754 8.158 8.690 1.00 0.00 H new ATOM 1050 N GLY A 67 11.453 9.535 6.354 1.00 0.00 N ATOM 1051 CA GLY A 67 12.373 10.150 5.413 1.00 0.00 C ATOM 1052 C GLY A 67 12.612 9.241 4.206 1.00 0.00 C ATOM 1053 O GLY A 67 12.977 9.713 3.130 1.00 0.00 O ATOM 0 H GLY A 67 10.853 8.814 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.971 11.106 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.321 10.358 5.909 1.00 0.00 H new ATOM 1057 N THR A 68 12.395 7.952 4.425 1.00 0.00 N ATOM 1058 CA THR A 68 12.583 6.971 3.368 1.00 0.00 C ATOM 1059 C THR A 68 11.710 7.316 2.160 1.00 0.00 C ATOM 1060 O THR A 68 10.618 7.862 2.313 1.00 0.00 O ATOM 1061 CB THR A 68 12.294 5.587 3.952 1.00 0.00 C ATOM 1062 OG1 THR A 68 13.428 5.310 4.768 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.323 4.486 2.888 1.00 0.00 C ATOM 0 H THR A 68 12.091 7.564 5.318 1.00 0.00 H new ATOM 0 HA THR A 68 13.609 6.976 3.000 1.00 0.00 H new ATOM 0 HB THR A 68 11.320 5.595 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.627 4.351 4.736 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.112 3.524 3.354 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.570 4.694 2.128 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.308 4.455 2.423 1.00 0.00 H new ATOM 1071 N ALA A 69 12.224 6.984 0.985 1.00 0.00 N ATOM 1072 CA ALA A 69 11.506 7.252 -0.249 1.00 0.00 C ATOM 1073 C ALA A 69 10.573 6.079 -0.556 1.00 0.00 C ATOM 1074 O ALA A 69 10.679 5.019 0.061 1.00 0.00 O ATOM 1075 CB ALA A 69 12.507 7.512 -1.377 1.00 0.00 C ATOM 0 H ALA A 69 13.130 6.532 0.862 1.00 0.00 H new ATOM 0 HA ALA A 69 10.890 8.146 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.968 7.713 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.126 8.373 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.141 6.636 -1.510 1.00 0.00 H new ATOM 1081 N PRO A 70 9.657 6.313 -1.533 1.00 0.00 N ATOM 1082 CA PRO A 70 8.708 5.287 -1.930 1.00 0.00 C ATOM 1083 C PRO A 70 9.386 4.208 -2.776 1.00 0.00 C ATOM 1084 O PRO A 70 8.730 3.280 -3.248 1.00 0.00 O ATOM 1085 CB PRO A 70 7.615 6.032 -2.681 1.00 0.00 C ATOM 1086 CG PRO A 70 8.220 7.367 -3.080 1.00 0.00 C ATOM 1087 CD PRO A 70 9.503 7.555 -2.285 1.00 0.00 C ATOM 0 HA PRO A 70 8.292 4.747 -1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.292 5.472 -3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.736 6.174 -2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.428 7.387 -4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.522 8.179 -2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.355 7.728 -2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.434 8.415 -1.619 1.00 0.00 H new ATOM 1095 N LYS A 71 10.691 4.366 -2.943 1.00 0.00 N ATOM 1096 CA LYS A 71 11.466 3.416 -3.724 1.00 0.00 C ATOM 1097 C LYS A 71 12.363 2.606 -2.788 1.00 0.00 C ATOM 1098 O LYS A 71 13.427 2.138 -3.193 1.00 0.00 O ATOM 1099 CB LYS A 71 12.228 4.136 -4.838 1.00 0.00 C ATOM 1100 CG LYS A 71 13.169 5.196 -4.263 1.00 0.00 C ATOM 1101 CD LYS A 71 14.265 5.560 -5.267 1.00 0.00 C ATOM 1102 CE LYS A 71 14.075 6.983 -5.795 1.00 0.00 C ATOM 1103 NZ LYS A 71 14.408 7.973 -4.746 1.00 0.00 N ATOM 0 H LYS A 71 11.231 5.137 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 71 10.808 2.707 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.801 3.412 -5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.521 4.605 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.600 6.088 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.622 4.825 -3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.242 5.472 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.250 4.855 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.709 7.141 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.044 7.122 -6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.472 8.920 -5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.666 7.970 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.320 7.726 -4.312 1.00 0.00 H new ATOM 1117 N ASP A 72 11.904 2.464 -1.554 1.00 0.00 N ATOM 1118 CA ASP A 72 12.653 1.717 -0.558 1.00 0.00 C ATOM 1119 C ASP A 72 11.686 1.159 0.489 1.00 0.00 C ATOM 1120 O ASP A 72 11.797 0.001 0.887 1.00 0.00 O ATOM 1121 CB ASP A 72 13.660 2.617 0.162 1.00 0.00 C ATOM 1122 CG ASP A 72 14.885 1.894 0.726 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.114 0.743 0.294 1.00 0.00 O ATOM 1124 OD2 ASP A 72 15.564 2.508 1.578 1.00 0.00 O ATOM 0 H ASP A 72 11.022 2.854 -1.221 1.00 0.00 H new ATOM 0 HA ASP A 72 13.185 0.914 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.998 3.386 -0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.150 3.127 0.979 1.00 0.00 H new ATOM 1130 N VAL A 73 10.758 2.010 0.904 1.00 0.00 N ATOM 1131 CA VAL A 73 9.772 1.616 1.896 1.00 0.00 C ATOM 1132 C VAL A 73 9.392 0.151 1.677 1.00 0.00 C ATOM 1133 O VAL A 73 9.372 -0.637 2.621 1.00 0.00 O ATOM 1134 CB VAL A 73 8.570 2.560 1.843 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.528 2.181 2.895 1.00 0.00 C ATOM 1136 CG2 VAL A 73 9.009 4.017 2.006 1.00 0.00 C ATOM 0 H VAL A 73 10.669 2.970 0.571 1.00 0.00 H new ATOM 0 HA VAL A 73 10.187 1.697 2.900 1.00 0.00 H new ATOM 0 HB VAL A 73 8.107 2.457 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.684 2.868 2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.181 1.164 2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.975 2.240 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.135 4.667 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.508 4.141 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.697 4.282 1.203 1.00 0.00 H new ATOM 1146 N CYS A 74 9.099 -0.171 0.426 1.00 0.00 N ATOM 1147 CA CYS A 74 8.720 -1.528 0.070 1.00 0.00 C ATOM 1148 C CYS A 74 9.966 -2.412 0.154 1.00 0.00 C ATOM 1149 O CYS A 74 10.232 -3.204 -0.749 1.00 0.00 O ATOM 1150 CB CYS A 74 8.070 -1.590 -1.312 1.00 0.00 C ATOM 1151 SG CYS A 74 7.187 -0.068 -1.814 1.00 0.00 S ATOM 0 H CYS A 74 9.116 0.485 -0.355 1.00 0.00 H new ATOM 0 HA CYS A 74 7.968 -1.893 0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.841 -1.806 -2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.368 -2.423 -1.331 1.00 0.00 H new ATOM 1156 N THR A 75 10.698 -2.247 1.247 1.00 0.00 N ATOM 1157 CA THR A 75 11.909 -3.021 1.461 1.00 0.00 C ATOM 1158 C THR A 75 12.316 -2.978 2.935 1.00 0.00 C ATOM 1159 O THR A 75 12.634 -4.010 3.525 1.00 0.00 O ATOM 1160 CB THR A 75 12.986 -2.482 0.518 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.254 -1.998 -0.605 1.00 0.00 O ATOM 1162 CG2 THR A 75 13.865 -3.591 -0.062 1.00 0.00 C ATOM 0 H THR A 75 10.475 -1.589 1.994 1.00 0.00 H new ATOM 0 HA THR A 75 11.751 -4.075 1.230 1.00 0.00 H new ATOM 0 HB THR A 75 13.610 -1.766 1.053 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.807 -2.747 -1.052 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.612 -3.154 -0.724 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.364 -4.121 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.246 -4.289 -0.625 1.00 0.00 H new ATOM 1170 N LYS A 76 12.291 -1.775 3.488 1.00 0.00 N ATOM 1171 CA LYS A 76 12.654 -1.584 4.882 1.00 0.00 C ATOM 1172 C LYS A 76 11.777 -2.480 5.760 1.00 0.00 C ATOM 1173 O LYS A 76 12.246 -3.032 6.753 1.00 0.00 O ATOM 1174 CB LYS A 76 12.586 -0.102 5.256 1.00 0.00 C ATOM 1175 CG LYS A 76 13.845 0.637 4.799 1.00 0.00 C ATOM 1176 CD LYS A 76 14.587 1.245 5.992 1.00 0.00 C ATOM 1177 CE LYS A 76 15.920 0.532 6.229 1.00 0.00 C ATOM 1178 NZ LYS A 76 17.020 1.514 6.346 1.00 0.00 N ATOM 0 H LYS A 76 12.025 -0.922 2.996 1.00 0.00 H new ATOM 0 HA LYS A 76 13.688 -1.884 5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.707 0.352 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.472 -0.000 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.503 -0.052 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.574 1.424 4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.764 2.305 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.967 1.172 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.862 -0.067 7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.123 -0.154 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.917 1.013 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.085 2.068 5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.832 2.152 7.145 1.00 0.00 H new ATOM 1192 N LEU A 77 10.519 -2.597 5.360 1.00 0.00 N ATOM 1193 CA LEU A 77 9.573 -3.417 6.096 1.00 0.00 C ATOM 1194 C LEU A 77 9.572 -4.833 5.517 1.00 0.00 C ATOM 1195 O LEU A 77 8.610 -5.579 5.693 1.00 0.00 O ATOM 1196 CB LEU A 77 8.193 -2.758 6.113 1.00 0.00 C ATOM 1197 CG LEU A 77 8.168 -1.246 5.877 1.00 0.00 C ATOM 1198 CD1 LEU A 77 6.754 -0.767 5.547 1.00 0.00 C ATOM 1199 CD2 LEU A 77 8.765 -0.496 7.068 1.00 0.00 C ATOM 0 H LEU A 77 10.133 -2.137 4.535 1.00 0.00 H new ATOM 0 HA LEU A 77 9.874 -3.501 7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.575 -3.235 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.726 -2.963 7.076 1.00 0.00 H new ATOM 0 HG LEU A 77 8.793 -1.024 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.764 0.311 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.402 -1.267 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.087 -1.002 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.735 0.576 6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.187 -0.719 7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.799 -0.810 7.215 1.00 0.00 H new ATOM 1211 N ASN A 78 10.661 -5.161 4.838 1.00 0.00 N ATOM 1212 CA ASN A 78 10.797 -6.474 4.231 1.00 0.00 C ATOM 1213 C ASN A 78 9.645 -6.701 3.250 1.00 0.00 C ATOM 1214 O ASN A 78 9.296 -7.842 2.949 1.00 0.00 O ATOM 1215 CB ASN A 78 10.742 -7.578 5.289 1.00 0.00 C ATOM 1216 CG ASN A 78 11.887 -8.576 5.101 1.00 0.00 C ATOM 1217 OD1 ASN A 78 13.043 -8.214 4.958 1.00 0.00 O ATOM 1218 ND2 ASN A 78 11.502 -9.849 5.111 1.00 0.00 N ATOM 0 H ASN A 78 11.458 -4.540 4.695 1.00 0.00 H new ATOM 0 HA ASN A 78 11.759 -6.511 3.721 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.800 -7.136 6.284 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.787 -8.099 5.226 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.192 -10.591 4.994 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.517 -10.083 5.235 1.00 0.00 H new ATOM 1225 N GLU A 79 9.085 -5.596 2.779 1.00 0.00 N ATOM 1226 CA GLU A 79 7.979 -5.660 1.839 1.00 0.00 C ATOM 1227 C GLU A 79 8.426 -6.331 0.539 1.00 0.00 C ATOM 1228 O GLU A 79 8.068 -7.477 0.273 1.00 0.00 O ATOM 1229 CB GLU A 79 7.409 -4.267 1.568 1.00 0.00 C ATOM 1230 CG GLU A 79 7.138 -3.522 2.878 1.00 0.00 C ATOM 1231 CD GLU A 79 6.125 -4.278 3.739 1.00 0.00 C ATOM 1232 OE1 GLU A 79 6.574 -5.170 4.490 1.00 0.00 O ATOM 1233 OE2 GLU A 79 4.925 -3.946 3.628 1.00 0.00 O ATOM 0 H GLU A 79 9.377 -4.652 3.031 1.00 0.00 H new ATOM 0 HA GLU A 79 7.185 -6.262 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.109 -3.696 0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.485 -4.353 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.070 -3.399 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.762 -2.522 2.661 1.00 0.00 H new ATOM 1241 N CYS A 80 9.203 -5.588 -0.237 1.00 0.00 N ATOM 1242 CA CYS A 80 9.703 -6.097 -1.502 1.00 0.00 C ATOM 1243 C CYS A 80 11.051 -6.774 -1.250 1.00 0.00 C ATOM 1244 O CYS A 80 11.914 -6.214 -0.576 1.00 0.00 O ATOM 1245 CB CYS A 80 9.808 -4.991 -2.555 1.00 0.00 C ATOM 1246 SG CYS A 80 9.736 -5.573 -4.288 1.00 0.00 S ATOM 0 H CYS A 80 9.498 -4.638 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 80 9.001 -6.827 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.001 -4.276 -2.393 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.745 -4.454 -2.405 1.00 0.00 H new ATOM 1251 N PRO A 81 11.193 -8.002 -1.817 1.00 0.00 N ATOM 1252 CA PRO A 81 10.121 -8.593 -2.600 1.00 0.00 C ATOM 1253 C PRO A 81 9.000 -9.104 -1.694 1.00 0.00 C ATOM 1254 O PRO A 81 9.241 -9.904 -0.791 1.00 0.00 O ATOM 1255 CB PRO A 81 10.785 -9.699 -3.405 1.00 0.00 C ATOM 1256 CG PRO A 81 12.102 -9.992 -2.703 1.00 0.00 C ATOM 1257 CD PRO A 81 12.374 -8.856 -1.731 1.00 0.00 C ATOM 0 HA PRO A 81 9.636 -7.874 -3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 81 10.155 -10.588 -3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.953 -9.385 -4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.049 -10.943 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.911 -10.076 -3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.520 -9.229 -0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.278 -8.310 -2.003 1.00 0.00 H new TER 1265 PRO A 81