USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 574 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 11 CYS SG : rot -60:sc= -0.527 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 36 TYR OH : rot -137:sc= 0.113 USER MOD Set 2.1: A 20 TYR OH : rot -91:sc= 0.458 USER MOD Set 2.2: A 21 HIS : no HE2:sc= -2.53! C(o=-2.1!,f=-5.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.138 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -31:sc= 0.763 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= 2.22 (180deg=-0.0806) USER MOD Single : A 25 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.92) USER MOD Single : A 31 GLN : amide:sc= 0.388 K(o=0.39,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -151:sc= -1.83! (180deg=-3.75!) USER MOD Single : A 48 ASN : amide:sc= -0.0943 K(o=-0.094,f=-0.87) USER MOD Single : A 54 SER OG : rot -76:sc= 1.05 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 1.04 (180deg=0.944) USER MOD Single : A 63 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0.605 K(o=0.6,f=-4.4!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 67 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.041 10.682 -6.872 1.00 0.00 N ATOM 2 CA MET A 1 9.143 11.898 -7.710 1.00 0.00 C ATOM 3 C MET A 1 7.753 12.268 -8.232 1.00 0.00 C ATOM 4 O MET A 1 6.755 11.707 -7.779 1.00 0.00 O ATOM 5 CB MET A 1 10.125 11.657 -8.865 1.00 0.00 C ATOM 6 CG MET A 1 10.674 12.935 -9.480 1.00 0.00 C ATOM 7 SD MET A 1 11.885 12.629 -10.780 1.00 0.00 S ATOM 8 CE MET A 1 12.274 14.310 -11.266 1.00 0.00 C ATOM 0 H1 MET A 1 9.419 10.881 -5.924 1.00 0.00 H new ATOM 0 H2 MET A 1 8.044 10.396 -6.795 1.00 0.00 H new ATOM 0 H3 MET A 1 9.589 9.913 -7.308 1.00 0.00 H new ATOM 0 HA MET A 1 9.524 12.728 -7.115 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.957 11.053 -8.503 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.624 11.077 -9.641 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.849 13.518 -9.890 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.134 13.539 -8.698 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.014 14.295 -12.067 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.369 14.806 -11.617 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.676 14.852 -10.410 1.00 0.00 H new ATOM 20 N GLU A 2 7.679 13.210 -9.169 1.00 0.00 N ATOM 21 CA GLU A 2 6.400 13.634 -9.723 1.00 0.00 C ATOM 22 C GLU A 2 5.792 12.543 -10.601 1.00 0.00 C ATOM 23 O GLU A 2 5.979 12.521 -11.819 1.00 0.00 O ATOM 24 CB GLU A 2 6.560 14.930 -10.521 1.00 0.00 C ATOM 25 CG GLU A 2 5.248 15.479 -11.056 1.00 0.00 C ATOM 26 CD GLU A 2 5.433 16.763 -11.830 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.381 17.845 -11.210 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.628 16.702 -13.062 1.00 0.00 O ATOM 0 H GLU A 2 8.489 13.692 -9.559 1.00 0.00 H new ATOM 0 HA GLU A 2 5.721 13.819 -8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.028 15.683 -9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.237 14.752 -11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.781 14.734 -11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.565 15.654 -10.225 1.00 0.00 H new ATOM 35 N LYS A 3 5.109 11.610 -9.959 1.00 0.00 N ATOM 36 CA LYS A 3 4.364 10.572 -10.654 1.00 0.00 C ATOM 37 C LYS A 3 2.964 10.482 -10.078 1.00 0.00 C ATOM 38 O LYS A 3 2.213 9.550 -10.365 1.00 0.00 O ATOM 39 CB LYS A 3 5.053 9.221 -10.511 1.00 0.00 C ATOM 40 CG LYS A 3 6.407 9.134 -11.192 1.00 0.00 C ATOM 41 CD LYS A 3 6.977 7.733 -11.076 1.00 0.00 C ATOM 42 CE LYS A 3 8.348 7.622 -11.716 1.00 0.00 C ATOM 43 NZ LYS A 3 8.853 6.224 -11.679 1.00 0.00 N ATOM 0 H LYS A 3 5.055 11.550 -8.942 1.00 0.00 H new ATOM 0 HA LYS A 3 4.318 10.831 -11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.178 9.001 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.402 8.449 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.309 9.406 -12.243 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.094 9.850 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.044 7.455 -10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.297 7.025 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.297 7.965 -12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.048 8.277 -11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.792 6.182 -12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.924 5.906 -10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.197 5.604 -12.196 1.00 0.00 H new ATOM 57 N LYS A 4 2.617 11.478 -9.282 1.00 0.00 N ATOM 58 CA LYS A 4 1.365 11.483 -8.537 1.00 0.00 C ATOM 59 C LYS A 4 0.182 11.849 -9.433 1.00 0.00 C ATOM 60 O LYS A 4 -0.620 12.727 -9.112 1.00 0.00 O ATOM 61 CB LYS A 4 1.473 12.439 -7.354 1.00 0.00 C ATOM 62 CG LYS A 4 2.636 12.106 -6.438 1.00 0.00 C ATOM 63 CD LYS A 4 2.623 12.965 -5.194 1.00 0.00 C ATOM 64 CE LYS A 4 3.882 12.759 -4.371 1.00 0.00 C ATOM 65 NZ LYS A 4 3.777 13.397 -3.036 1.00 0.00 N ATOM 0 H LYS A 4 3.193 12.307 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 4 1.183 10.476 -8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.587 13.458 -7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.545 12.410 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.589 11.054 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.575 12.251 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.537 14.015 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.748 12.723 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.067 11.692 -4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.737 13.172 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.656 13.235 -2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.626 14.419 -3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.976 12.985 -2.516 1.00 0.00 H new ATOM 79 N PHE A 5 0.095 11.165 -10.561 1.00 0.00 N ATOM 80 CA PHE A 5 -1.030 11.288 -11.469 1.00 0.00 C ATOM 81 C PHE A 5 -1.686 9.925 -11.614 1.00 0.00 C ATOM 82 O PHE A 5 -2.880 9.767 -11.373 1.00 0.00 O ATOM 83 CB PHE A 5 -0.569 11.810 -12.831 1.00 0.00 C ATOM 84 CG PHE A 5 0.026 13.186 -12.773 1.00 0.00 C ATOM 85 CD1 PHE A 5 -0.790 14.306 -12.798 1.00 0.00 C ATOM 86 CD2 PHE A 5 1.398 13.362 -12.689 1.00 0.00 C ATOM 87 CE1 PHE A 5 -0.249 15.574 -12.738 1.00 0.00 C ATOM 88 CE2 PHE A 5 1.945 14.628 -12.629 1.00 0.00 C ATOM 89 CZ PHE A 5 1.119 15.736 -12.655 1.00 0.00 C ATOM 0 H PHE A 5 0.807 10.505 -10.873 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.749 12.002 -11.068 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.167 11.121 -13.245 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.418 11.818 -13.515 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.861 14.185 -12.865 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.047 12.499 -12.670 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.896 16.439 -12.756 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.016 14.752 -12.562 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.544 16.728 -12.610 1.00 0.00 H new ATOM 99 N LEU A 6 -0.884 8.938 -11.995 1.00 0.00 N ATOM 100 CA LEU A 6 -1.336 7.560 -12.007 1.00 0.00 C ATOM 101 C LEU A 6 -1.073 6.918 -10.645 1.00 0.00 C ATOM 102 O LEU A 6 -1.724 5.944 -10.267 1.00 0.00 O ATOM 103 CB LEU A 6 -0.696 6.755 -13.170 1.00 0.00 C ATOM 104 CG LEU A 6 0.815 6.408 -13.110 1.00 0.00 C ATOM 105 CD1 LEU A 6 1.683 7.618 -12.804 1.00 0.00 C ATOM 106 CD2 LEU A 6 1.095 5.272 -12.130 1.00 0.00 C ATOM 0 H LEU A 6 0.081 9.070 -12.299 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.411 7.546 -12.187 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.244 5.817 -13.260 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.868 7.315 -14.089 1.00 0.00 H new ATOM 0 HG LEU A 6 1.087 6.066 -14.109 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.730 7.316 -12.774 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.544 8.371 -13.580 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.398 8.035 -11.838 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.164 5.058 -12.116 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.771 5.565 -11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.551 4.380 -12.441 1.00 0.00 H new ATOM 118 N ASP A 7 -0.126 7.493 -9.905 1.00 0.00 N ATOM 119 CA ASP A 7 0.182 7.037 -8.553 1.00 0.00 C ATOM 120 C ASP A 7 -0.640 7.831 -7.546 1.00 0.00 C ATOM 121 O ASP A 7 -0.117 8.500 -6.652 1.00 0.00 O ATOM 122 CB ASP A 7 1.679 7.163 -8.245 1.00 0.00 C ATOM 123 CG ASP A 7 2.063 6.561 -6.898 1.00 0.00 C ATOM 124 OD1 ASP A 7 1.201 5.929 -6.243 1.00 0.00 O ATOM 125 OD2 ASP A 7 3.238 6.718 -6.491 1.00 0.00 O ATOM 0 H ASP A 7 0.442 8.278 -10.222 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.078 5.981 -8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.249 6.670 -9.033 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.960 8.216 -8.259 1.00 0.00 H new ATOM 130 N ILE A 8 -1.940 7.798 -7.752 1.00 0.00 N ATOM 131 CA ILE A 8 -2.891 8.326 -6.790 1.00 0.00 C ATOM 132 C ILE A 8 -3.656 7.163 -6.182 1.00 0.00 C ATOM 133 O ILE A 8 -4.757 7.324 -5.661 1.00 0.00 O ATOM 134 CB ILE A 8 -3.882 9.311 -7.445 1.00 0.00 C ATOM 135 CG1 ILE A 8 -4.560 8.662 -8.660 1.00 0.00 C ATOM 136 CG2 ILE A 8 -3.165 10.597 -7.838 1.00 0.00 C ATOM 137 CD1 ILE A 8 -5.645 9.516 -9.278 1.00 0.00 C ATOM 0 H ILE A 8 -2.369 7.405 -8.590 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.343 8.874 -6.023 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.658 9.562 -6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.804 8.447 -9.415 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.989 7.707 -8.358 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.875 11.283 -8.299 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.737 11.061 -6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.369 10.368 -8.547 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.078 8.993 -10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.422 9.709 -8.538 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.218 10.462 -9.611 1.00 0.00 H new ATOM 149 N LEU A 9 -3.022 5.996 -6.251 1.00 0.00 N ATOM 150 CA LEU A 9 -3.632 4.726 -5.867 1.00 0.00 C ATOM 151 C LEU A 9 -4.295 4.785 -4.497 1.00 0.00 C ATOM 152 O LEU A 9 -3.659 5.093 -3.488 1.00 0.00 O ATOM 153 CB LEU A 9 -2.580 3.618 -5.869 1.00 0.00 C ATOM 154 CG LEU A 9 -1.823 3.441 -7.187 1.00 0.00 C ATOM 155 CD1 LEU A 9 -0.757 2.367 -7.047 1.00 0.00 C ATOM 156 CD2 LEU A 9 -2.783 3.092 -8.316 1.00 0.00 C ATOM 0 H LEU A 9 -2.060 5.904 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.408 4.514 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.858 3.823 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.067 2.676 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.335 4.385 -7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.228 2.254 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.050 2.655 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.227 1.421 -6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.224 2.971 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.300 2.162 -8.079 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.513 3.893 -8.434 1.00 0.00 H new ATOM 168 N VAL A 10 -5.580 4.487 -4.489 1.00 0.00 N ATOM 169 CA VAL A 10 -6.357 4.394 -3.268 1.00 0.00 C ATOM 170 C VAL A 10 -7.191 3.121 -3.306 1.00 0.00 C ATOM 171 O VAL A 10 -7.603 2.677 -4.379 1.00 0.00 O ATOM 172 CB VAL A 10 -7.289 5.617 -3.065 1.00 0.00 C ATOM 173 CG1 VAL A 10 -6.484 6.886 -2.814 1.00 0.00 C ATOM 174 CG2 VAL A 10 -8.214 5.801 -4.260 1.00 0.00 C ATOM 0 H VAL A 10 -6.118 4.301 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.660 4.375 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.901 5.423 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.164 7.727 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.876 6.760 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.836 7.081 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.857 6.665 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.619 5.960 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.829 4.910 -4.385 1.00 0.00 H new ATOM 184 N CYS A 11 -7.419 2.520 -2.152 1.00 0.00 N ATOM 185 CA CYS A 11 -8.203 1.300 -2.090 1.00 0.00 C ATOM 186 C CYS A 11 -9.689 1.631 -2.111 1.00 0.00 C ATOM 187 O CYS A 11 -10.112 2.610 -1.508 1.00 0.00 O ATOM 188 CB CYS A 11 -7.855 0.513 -0.826 1.00 0.00 C ATOM 189 SG CYS A 11 -8.051 1.446 0.711 1.00 0.00 S ATOM 0 H CYS A 11 -7.075 2.854 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.968 0.687 -2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.485 -0.375 -0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.823 0.169 -0.899 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.268 2.483 0.692 1.00 0.00 H new ATOM 195 N PRO A 12 -10.509 0.812 -2.786 1.00 0.00 N ATOM 196 CA PRO A 12 -11.954 1.056 -2.887 1.00 0.00 C ATOM 197 C PRO A 12 -12.687 0.804 -1.570 1.00 0.00 C ATOM 198 O PRO A 12 -13.883 1.061 -1.454 1.00 0.00 O ATOM 199 CB PRO A 12 -12.409 0.057 -3.953 1.00 0.00 C ATOM 200 CG PRO A 12 -11.398 -1.039 -3.913 1.00 0.00 C ATOM 201 CD PRO A 12 -10.096 -0.393 -3.533 1.00 0.00 C ATOM 0 HA PRO A 12 -12.172 2.095 -3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.409 -0.321 -3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.448 0.522 -4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.680 -1.803 -3.188 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.320 -1.532 -4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.485 -1.055 -2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.505 -0.136 -4.412 1.00 0.00 H new ATOM 209 N VAL A 13 -11.963 0.305 -0.580 1.00 0.00 N ATOM 210 CA VAL A 13 -12.551 0.004 0.717 1.00 0.00 C ATOM 211 C VAL A 13 -12.815 1.286 1.507 1.00 0.00 C ATOM 212 O VAL A 13 -13.936 1.526 1.961 1.00 0.00 O ATOM 213 CB VAL A 13 -11.637 -0.930 1.543 1.00 0.00 C ATOM 214 CG1 VAL A 13 -12.282 -1.308 2.868 1.00 0.00 C ATOM 215 CG2 VAL A 13 -11.287 -2.179 0.750 1.00 0.00 C ATOM 0 H VAL A 13 -10.966 0.100 -0.650 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.498 -0.504 0.533 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.718 -0.385 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.613 -1.965 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.472 -0.406 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.224 -1.824 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.643 -2.822 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.201 -2.716 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.766 -1.895 -0.164 1.00 0.00 H new ATOM 225 N THR A 14 -11.782 2.110 1.662 1.00 0.00 N ATOM 226 CA THR A 14 -11.907 3.344 2.430 1.00 0.00 C ATOM 227 C THR A 14 -11.462 4.548 1.601 1.00 0.00 C ATOM 228 O THR A 14 -11.475 5.687 2.077 1.00 0.00 O ATOM 229 CB THR A 14 -11.079 3.269 3.736 1.00 0.00 C ATOM 230 OG1 THR A 14 -11.237 4.468 4.508 1.00 0.00 O ATOM 231 CG2 THR A 14 -9.601 3.049 3.440 1.00 0.00 C ATOM 0 H THR A 14 -10.855 1.947 1.269 1.00 0.00 H new ATOM 0 HA THR A 14 -12.958 3.467 2.690 1.00 0.00 H new ATOM 0 HB THR A 14 -11.452 2.420 4.309 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.378 5.228 3.906 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.046 3.001 4.377 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.474 2.114 2.894 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.224 3.875 2.837 1.00 0.00 H new ATOM 239 N LYS A 15 -11.083 4.277 0.353 1.00 0.00 N ATOM 240 CA LYS A 15 -10.555 5.295 -0.550 1.00 0.00 C ATOM 241 C LYS A 15 -9.334 5.971 0.080 1.00 0.00 C ATOM 242 O LYS A 15 -9.161 7.191 0.013 1.00 0.00 O ATOM 243 CB LYS A 15 -11.651 6.304 -0.912 1.00 0.00 C ATOM 244 CG LYS A 15 -11.294 7.209 -2.082 1.00 0.00 C ATOM 245 CD LYS A 15 -12.519 7.904 -2.656 1.00 0.00 C ATOM 246 CE LYS A 15 -13.292 8.666 -1.590 1.00 0.00 C ATOM 247 NZ LYS A 15 -14.406 9.459 -2.170 1.00 0.00 N ATOM 0 H LYS A 15 -11.134 3.345 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.229 4.825 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.566 5.762 -1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.865 6.922 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.572 7.957 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.812 6.620 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.210 8.593 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.172 7.164 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.690 7.963 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.613 9.331 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.906 9.962 -1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.025 10.148 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.068 8.822 -2.658 1.00 0.00 H new ATOM 261 N GLY A 16 -8.491 5.149 0.691 1.00 0.00 N ATOM 262 CA GLY A 16 -7.275 5.633 1.311 1.00 0.00 C ATOM 263 C GLY A 16 -6.059 5.259 0.496 1.00 0.00 C ATOM 264 O GLY A 16 -6.113 4.313 -0.293 1.00 0.00 O ATOM 0 H GLY A 16 -8.632 4.142 0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.325 6.717 1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.185 5.217 2.315 1.00 0.00 H new ATOM 268 N ARG A 17 -4.964 5.977 0.702 1.00 0.00 N ATOM 269 CA ARG A 17 -3.772 5.812 -0.104 1.00 0.00 C ATOM 270 C ARG A 17 -3.087 4.477 0.150 1.00 0.00 C ATOM 271 O ARG A 17 -3.250 3.858 1.206 1.00 0.00 O ATOM 272 CB ARG A 17 -2.803 6.956 0.172 1.00 0.00 C ATOM 273 CG ARG A 17 -2.819 8.045 -0.889 1.00 0.00 C ATOM 274 CD ARG A 17 -2.204 7.562 -2.195 1.00 0.00 C ATOM 275 NE ARG A 17 -0.775 7.267 -2.050 1.00 0.00 N ATOM 276 CZ ARG A 17 -0.004 6.759 -3.016 1.00 0.00 C ATOM 277 NH1 ARG A 17 -0.518 6.443 -4.197 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.290 6.576 -2.792 1.00 0.00 N ATOM 0 H ARG A 17 -4.881 6.686 1.430 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.076 5.827 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.045 7.399 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.793 6.553 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.845 8.366 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.270 8.915 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.727 6.668 -2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.342 8.322 -2.964 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.339 7.463 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.512 6.587 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.081 6.056 -4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.691 6.823 -1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.885 6.189 -3.525 1.00 0.00 H new ATOM 292 N LEU A 18 -2.316 4.056 -0.836 1.00 0.00 N ATOM 293 CA LEU A 18 -1.598 2.794 -0.787 1.00 0.00 C ATOM 294 C LEU A 18 -0.123 3.029 -1.073 1.00 0.00 C ATOM 295 O LEU A 18 0.220 3.747 -2.011 1.00 0.00 O ATOM 296 CB LEU A 18 -2.159 1.826 -1.835 1.00 0.00 C ATOM 297 CG LEU A 18 -3.671 1.598 -1.787 1.00 0.00 C ATOM 298 CD1 LEU A 18 -4.121 0.778 -2.987 1.00 0.00 C ATOM 299 CD2 LEU A 18 -4.065 0.898 -0.499 1.00 0.00 C ATOM 0 H LEU A 18 -2.169 4.582 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.719 2.364 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.898 2.200 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.661 0.864 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.165 2.569 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.199 0.624 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.871 1.309 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.616 -0.188 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.144 0.745 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.561 -0.066 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.774 1.512 0.353 1.00 0.00 H new ATOM 311 N GLU A 19 0.744 2.439 -0.270 1.00 0.00 N ATOM 312 CA GLU A 19 2.164 2.498 -0.537 1.00 0.00 C ATOM 313 C GLU A 19 2.528 1.360 -1.479 1.00 0.00 C ATOM 314 O GLU A 19 2.023 0.240 -1.339 1.00 0.00 O ATOM 315 CB GLU A 19 2.966 2.414 0.762 1.00 0.00 C ATOM 316 CG GLU A 19 4.461 2.613 0.567 1.00 0.00 C ATOM 317 CD GLU A 19 4.794 3.911 -0.147 1.00 0.00 C ATOM 318 OE1 GLU A 19 4.758 3.935 -1.396 1.00 0.00 O ATOM 319 OE2 GLU A 19 5.096 4.916 0.533 1.00 0.00 O ATOM 0 H GLU A 19 0.488 1.917 0.568 1.00 0.00 H new ATOM 0 HA GLU A 19 2.410 3.451 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.595 3.167 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.794 1.441 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.954 2.602 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.863 1.776 -0.004 1.00 0.00 H new ATOM 326 N TYR A 20 3.388 1.647 -2.438 1.00 0.00 N ATOM 327 CA TYR A 20 3.639 0.721 -3.526 1.00 0.00 C ATOM 328 C TYR A 20 4.672 -0.334 -3.138 1.00 0.00 C ATOM 329 O TYR A 20 5.548 -0.102 -2.305 1.00 0.00 O ATOM 330 CB TYR A 20 4.081 1.482 -4.780 1.00 0.00 C ATOM 331 CG TYR A 20 3.941 0.674 -6.048 1.00 0.00 C ATOM 332 CD1 TYR A 20 2.684 0.354 -6.544 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.056 0.220 -6.741 1.00 0.00 C ATOM 334 CE1 TYR A 20 2.540 -0.396 -7.693 1.00 0.00 C ATOM 335 CE2 TYR A 20 4.920 -0.527 -7.895 1.00 0.00 C ATOM 336 CZ TYR A 20 3.660 -0.835 -8.364 1.00 0.00 C ATOM 337 OH TYR A 20 3.520 -1.601 -9.499 1.00 0.00 O ATOM 0 H TYR A 20 3.924 2.513 -2.486 1.00 0.00 H new ATOM 0 HA TYR A 20 2.707 0.199 -3.744 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.490 2.393 -4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.121 1.787 -4.664 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.804 0.698 -6.021 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.044 0.454 -6.372 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.555 -0.637 -8.064 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.796 -0.868 -8.427 1.00 0.00 H new ATOM 0 HH TYR A 20 3.508 -2.550 -9.254 1.00 0.00 H new ATOM 347 N HIS A 21 4.555 -1.493 -3.769 1.00 0.00 N ATOM 348 CA HIS A 21 5.383 -2.644 -3.445 1.00 0.00 C ATOM 349 C HIS A 21 6.788 -2.526 -4.013 1.00 0.00 C ATOM 350 O HIS A 21 7.003 -1.901 -5.052 1.00 0.00 O ATOM 351 CB HIS A 21 4.743 -3.931 -3.979 1.00 0.00 C ATOM 352 CG HIS A 21 4.478 -3.935 -5.462 1.00 0.00 C ATOM 353 ND1 HIS A 21 5.431 -4.249 -6.409 1.00 0.00 N ATOM 354 CD2 HIS A 21 3.343 -3.679 -6.155 1.00 0.00 C ATOM 355 CE1 HIS A 21 4.897 -4.179 -7.613 1.00 0.00 C ATOM 356 NE2 HIS A 21 3.631 -3.835 -7.490 1.00 0.00 N ATOM 0 H HIS A 21 3.884 -1.661 -4.519 1.00 0.00 H new ATOM 0 HA HIS A 21 5.455 -2.678 -2.358 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.394 -4.771 -3.738 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.802 -4.097 -3.455 1.00 0.00 H new ATOM 0 HD1 HIS A 21 6.400 -4.497 -6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.387 -3.403 -5.736 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.411 -4.371 -8.543 1.00 0.00 H new ATOM 365 N GLN A 22 7.738 -3.135 -3.317 1.00 0.00 N ATOM 366 CA GLN A 22 9.064 -3.348 -3.868 1.00 0.00 C ATOM 367 C GLN A 22 9.420 -4.830 -3.790 1.00 0.00 C ATOM 368 O GLN A 22 9.501 -5.509 -4.808 1.00 0.00 O ATOM 369 CB GLN A 22 10.120 -2.506 -3.151 1.00 0.00 C ATOM 370 CG GLN A 22 11.500 -2.645 -3.774 1.00 0.00 C ATOM 371 CD GLN A 22 12.544 -1.752 -3.137 1.00 0.00 C ATOM 372 OE1 GLN A 22 12.470 -1.426 -1.951 1.00 0.00 O ATOM 373 NE2 GLN A 22 13.525 -1.350 -3.927 1.00 0.00 N ATOM 0 H GLN A 22 7.612 -3.490 -2.369 1.00 0.00 H new ATOM 0 HA GLN A 22 9.052 -3.031 -4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.820 -1.458 -3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.167 -2.803 -2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.823 -3.683 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.435 -2.413 -4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.547 -1.644 -4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.260 -0.745 -3.560 1.00 0.00 H new ATOM 382 N ASP A 23 9.605 -5.340 -2.579 1.00 0.00 N ATOM 383 CA ASP A 23 9.982 -6.742 -2.408 1.00 0.00 C ATOM 384 C ASP A 23 8.792 -7.594 -1.963 1.00 0.00 C ATOM 385 O ASP A 23 8.721 -8.783 -2.266 1.00 0.00 O ATOM 386 CB ASP A 23 11.127 -6.866 -1.402 1.00 0.00 C ATOM 387 CG ASP A 23 11.836 -8.201 -1.501 1.00 0.00 C ATOM 388 OD1 ASP A 23 12.652 -8.375 -2.435 1.00 0.00 O ATOM 389 OD2 ASP A 23 11.584 -9.082 -0.659 1.00 0.00 O ATOM 0 H ASP A 23 9.503 -4.815 -1.711 1.00 0.00 H new ATOM 0 HA ASP A 23 10.316 -7.116 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.844 -6.063 -1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.736 -6.738 -0.392 1.00 0.00 H new ATOM 394 N LYS A 24 7.838 -6.974 -1.271 1.00 0.00 N ATOM 395 CA LYS A 24 6.679 -7.693 -0.746 1.00 0.00 C ATOM 396 C LYS A 24 5.677 -8.023 -1.846 1.00 0.00 C ATOM 397 O LYS A 24 4.895 -8.961 -1.717 1.00 0.00 O ATOM 398 CB LYS A 24 5.977 -6.862 0.329 1.00 0.00 C ATOM 399 CG LYS A 24 6.692 -6.818 1.669 1.00 0.00 C ATOM 400 CD LYS A 24 6.743 -8.189 2.325 1.00 0.00 C ATOM 401 CE LYS A 24 6.508 -8.098 3.826 1.00 0.00 C ATOM 402 NZ LYS A 24 5.069 -7.890 4.158 1.00 0.00 N ATOM 0 H LYS A 24 7.845 -5.976 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 24 7.047 -8.625 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.861 -5.842 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.975 -7.262 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.706 -6.444 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.183 -6.117 2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.990 -8.836 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.713 -8.649 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.861 -9.012 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.096 -7.277 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.987 -7.199 4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.567 -7.533 3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.647 -8.793 4.455 1.00 0.00 H new ATOM 416 N GLN A 25 5.728 -7.254 -2.935 1.00 0.00 N ATOM 417 CA GLN A 25 4.716 -7.313 -3.989 1.00 0.00 C ATOM 418 C GLN A 25 3.316 -7.033 -3.437 1.00 0.00 C ATOM 419 O GLN A 25 2.310 -7.408 -4.036 1.00 0.00 O ATOM 420 CB GLN A 25 4.772 -8.663 -4.696 1.00 0.00 C ATOM 421 CG GLN A 25 6.057 -8.860 -5.479 1.00 0.00 C ATOM 422 CD GLN A 25 6.171 -7.908 -6.655 1.00 0.00 C ATOM 423 OE1 GLN A 25 5.164 -7.480 -7.221 1.00 0.00 O ATOM 424 NE2 GLN A 25 7.394 -7.572 -7.035 1.00 0.00 N ATOM 0 H GLN A 25 6.469 -6.576 -3.110 1.00 0.00 H new ATOM 0 HA GLN A 25 4.935 -6.532 -4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.675 -9.459 -3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.922 -8.750 -5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.909 -8.716 -4.815 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.105 -9.887 -5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.203 -7.948 -6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.527 -6.937 -7.822 1.00 0.00 H new ATOM 433 N GLU A 26 3.267 -6.330 -2.310 1.00 0.00 N ATOM 434 CA GLU A 26 2.008 -5.979 -1.671 1.00 0.00 C ATOM 435 C GLU A 26 1.768 -4.473 -1.733 1.00 0.00 C ATOM 436 O GLU A 26 2.716 -3.686 -1.701 1.00 0.00 O ATOM 437 CB GLU A 26 2.036 -6.411 -0.205 1.00 0.00 C ATOM 438 CG GLU A 26 2.398 -7.869 0.007 1.00 0.00 C ATOM 439 CD GLU A 26 2.594 -8.204 1.470 1.00 0.00 C ATOM 440 OE1 GLU A 26 3.324 -7.458 2.162 1.00 0.00 O ATOM 441 OE2 GLU A 26 2.038 -9.226 1.928 1.00 0.00 O ATOM 0 H GLU A 26 4.094 -5.991 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 26 1.205 -6.491 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.752 -5.789 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.057 -6.223 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.611 -8.500 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.312 -8.098 -0.542 1.00 0.00 H new ATOM 448 N LEU A 27 0.509 -4.080 -1.837 1.00 0.00 N ATOM 449 CA LEU A 27 0.133 -2.681 -1.681 1.00 0.00 C ATOM 450 C LEU A 27 -0.200 -2.429 -0.222 1.00 0.00 C ATOM 451 O LEU A 27 -1.179 -2.967 0.294 1.00 0.00 O ATOM 452 CB LEU A 27 -1.074 -2.330 -2.554 1.00 0.00 C ATOM 453 CG LEU A 27 -0.825 -2.367 -4.060 1.00 0.00 C ATOM 454 CD1 LEU A 27 -2.091 -1.991 -4.811 1.00 0.00 C ATOM 455 CD2 LEU A 27 0.321 -1.434 -4.440 1.00 0.00 C ATOM 0 H LEU A 27 -0.271 -4.709 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 27 0.966 -2.053 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.884 -3.021 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.418 -1.332 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.543 -3.382 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.900 -2.021 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.884 -2.697 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.398 -0.985 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.482 -1.475 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.071 -0.414 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.230 -1.746 -3.925 1.00 0.00 H new ATOM 467 N TRP A 28 0.604 -1.620 0.440 1.00 0.00 N ATOM 468 CA TRP A 28 0.463 -1.427 1.874 1.00 0.00 C ATOM 469 C TRP A 28 -0.417 -0.225 2.181 1.00 0.00 C ATOM 470 O TRP A 28 -0.097 0.906 1.818 1.00 0.00 O ATOM 471 CB TRP A 28 1.834 -1.248 2.525 1.00 0.00 C ATOM 472 CG TRP A 28 2.612 -2.523 2.668 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.305 -3.745 2.143 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.831 -2.698 3.400 1.00 0.00 C ATOM 475 NE1 TRP A 28 3.256 -4.668 2.505 1.00 0.00 N ATOM 476 CE2 TRP A 28 4.203 -4.048 3.276 1.00 0.00 C ATOM 477 CE3 TRP A 28 4.646 -1.840 4.148 1.00 0.00 C ATOM 478 CZ2 TRP A 28 5.352 -4.559 3.872 1.00 0.00 C ATOM 479 CZ3 TRP A 28 5.785 -2.353 4.740 1.00 0.00 C ATOM 480 CH2 TRP A 28 6.129 -3.700 4.598 1.00 0.00 C ATOM 0 H TRP A 28 1.360 -1.086 0.011 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.014 -2.316 2.286 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.417 -0.543 1.932 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.701 -0.803 3.511 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.440 -3.956 1.532 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.257 -5.654 2.243 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.390 -0.797 4.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.621 -5.599 3.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.420 -1.702 5.322 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.027 -4.070 5.071 1.00 0.00 H new ATOM 491 N SER A 29 -1.530 -0.476 2.852 1.00 0.00 N ATOM 492 CA SER A 29 -2.446 0.585 3.228 1.00 0.00 C ATOM 493 C SER A 29 -2.364 0.842 4.727 1.00 0.00 C ATOM 494 O SER A 29 -2.824 0.035 5.535 1.00 0.00 O ATOM 495 CB SER A 29 -3.881 0.223 2.837 1.00 0.00 C ATOM 496 OG SER A 29 -4.758 1.325 3.023 1.00 0.00 O ATOM 0 H SER A 29 -1.820 -1.408 3.147 1.00 0.00 H new ATOM 0 HA SER A 29 -2.160 1.492 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.908 -0.094 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.222 -0.621 3.436 1.00 0.00 H new ATOM 0 HG SER A 29 -5.667 1.067 2.764 1.00 0.00 H new ATOM 502 N ARG A 30 -1.769 1.968 5.091 1.00 0.00 N ATOM 503 CA ARG A 30 -1.617 2.339 6.492 1.00 0.00 C ATOM 504 C ARG A 30 -2.979 2.681 7.096 1.00 0.00 C ATOM 505 O ARG A 30 -3.214 2.480 8.286 1.00 0.00 O ATOM 506 CB ARG A 30 -0.658 3.530 6.599 1.00 0.00 C ATOM 507 CG ARG A 30 0.135 3.588 7.897 1.00 0.00 C ATOM 508 CD ARG A 30 -0.692 4.093 9.064 1.00 0.00 C ATOM 509 NE ARG A 30 0.105 4.205 10.284 1.00 0.00 N ATOM 510 CZ ARG A 30 -0.195 5.019 11.298 1.00 0.00 C ATOM 511 NH1 ARG A 30 -1.250 5.819 11.221 1.00 0.00 N ATOM 512 NH2 ARG A 30 0.573 5.051 12.381 1.00 0.00 N ATOM 0 H ARG A 30 -1.382 2.644 4.433 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.201 1.500 7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.040 3.494 5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.231 4.452 6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.516 2.594 8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.000 4.237 7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.115 5.066 8.816 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.529 3.416 9.237 1.00 0.00 H new ATOM 0 HE ARG A 30 0.941 3.626 10.365 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.835 5.813 10.385 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.477 6.440 11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.396 4.452 12.440 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.340 5.675 13.153 1.00 0.00 H new ATOM 526 N GLN A 31 -3.883 3.163 6.250 1.00 0.00 N ATOM 527 CA GLN A 31 -5.201 3.584 6.681 1.00 0.00 C ATOM 528 C GLN A 31 -6.129 2.394 6.915 1.00 0.00 C ATOM 529 O GLN A 31 -6.957 2.418 7.826 1.00 0.00 O ATOM 530 CB GLN A 31 -5.791 4.527 5.643 1.00 0.00 C ATOM 531 CG GLN A 31 -5.134 5.898 5.631 1.00 0.00 C ATOM 532 CD GLN A 31 -5.714 6.815 4.573 1.00 0.00 C ATOM 533 OE1 GLN A 31 -5.229 6.869 3.442 1.00 0.00 O ATOM 534 NE2 GLN A 31 -6.760 7.540 4.933 1.00 0.00 N ATOM 0 H GLN A 31 -3.718 3.271 5.249 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.102 4.103 7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.692 4.076 4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.858 4.645 5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.251 6.361 6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.064 5.782 5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.131 7.465 5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.196 8.174 4.263 1.00 0.00 H new ATOM 543 N ALA A 32 -5.984 1.348 6.107 1.00 0.00 N ATOM 544 CA ALA A 32 -6.840 0.178 6.235 1.00 0.00 C ATOM 545 C ALA A 32 -6.155 -0.892 7.068 1.00 0.00 C ATOM 546 O ALA A 32 -6.765 -1.901 7.425 1.00 0.00 O ATOM 547 CB ALA A 32 -7.205 -0.363 4.863 1.00 0.00 C ATOM 0 H ALA A 32 -5.288 1.288 5.364 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.758 0.473 6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.845 -1.238 4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.735 0.404 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.297 -0.644 4.329 1.00 0.00 H new ATOM 553 N LYS A 33 -4.875 -0.651 7.362 1.00 0.00 N ATOM 554 CA LYS A 33 -4.049 -1.569 8.144 1.00 0.00 C ATOM 555 C LYS A 33 -3.920 -2.913 7.433 1.00 0.00 C ATOM 556 O LYS A 33 -3.660 -3.947 8.055 1.00 0.00 O ATOM 557 CB LYS A 33 -4.622 -1.741 9.559 1.00 0.00 C ATOM 558 CG LYS A 33 -4.725 -0.432 10.329 1.00 0.00 C ATOM 559 CD LYS A 33 -5.213 -0.646 11.752 1.00 0.00 C ATOM 560 CE LYS A 33 -5.324 0.677 12.499 1.00 0.00 C ATOM 561 NZ LYS A 33 -5.722 0.496 13.923 1.00 0.00 N ATOM 0 H LYS A 33 -4.382 0.190 7.062 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.050 -1.142 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.611 -2.193 9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.993 -2.434 10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.750 0.054 10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.406 0.242 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.184 -1.141 11.736 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.527 -1.308 12.279 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.367 1.196 12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.055 1.313 11.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.784 1.425 14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.648 0.025 13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.013 -0.088 14.410 1.00 0.00 H new ATOM 575 N LEU A 34 -4.062 -2.880 6.113 1.00 0.00 N ATOM 576 CA LEU A 34 -4.021 -4.092 5.310 1.00 0.00 C ATOM 577 C LEU A 34 -3.002 -3.978 4.187 1.00 0.00 C ATOM 578 O LEU A 34 -2.423 -2.916 3.947 1.00 0.00 O ATOM 579 CB LEU A 34 -5.395 -4.387 4.699 1.00 0.00 C ATOM 580 CG LEU A 34 -6.547 -4.555 5.690 1.00 0.00 C ATOM 581 CD1 LEU A 34 -7.860 -4.720 4.948 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.304 -5.742 6.608 1.00 0.00 C ATOM 0 H LEU A 34 -4.207 -2.024 5.577 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.731 -4.906 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.647 -3.578 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.318 -5.297 4.104 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.602 -3.656 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.671 -4.839 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.045 -3.838 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.809 -5.602 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.137 -5.841 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.219 -6.651 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.381 -5.587 7.167 1.00 0.00 H new ATOM 594 N ALA A 35 -2.824 -5.084 3.489 1.00 0.00 N ATOM 595 CA ALA A 35 -1.931 -5.164 2.346 1.00 0.00 C ATOM 596 C ALA A 35 -2.624 -5.907 1.210 1.00 0.00 C ATOM 597 O ALA A 35 -3.197 -6.981 1.417 1.00 0.00 O ATOM 598 CB ALA A 35 -0.632 -5.858 2.729 1.00 0.00 C ATOM 0 H ALA A 35 -3.299 -5.961 3.701 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.686 -4.155 2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.024 -5.908 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.140 -5.296 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.848 -6.867 3.079 1.00 0.00 H new ATOM 604 N TYR A 36 -2.594 -5.330 0.022 1.00 0.00 N ATOM 605 CA TYR A 36 -3.312 -5.890 -1.113 1.00 0.00 C ATOM 606 C TYR A 36 -2.362 -6.620 -2.061 1.00 0.00 C ATOM 607 O TYR A 36 -1.225 -6.189 -2.260 1.00 0.00 O ATOM 608 CB TYR A 36 -4.056 -4.776 -1.849 1.00 0.00 C ATOM 609 CG TYR A 36 -5.052 -4.043 -0.976 1.00 0.00 C ATOM 610 CD1 TYR A 36 -6.356 -4.503 -0.835 1.00 0.00 C ATOM 611 CD2 TYR A 36 -4.687 -2.893 -0.287 1.00 0.00 C ATOM 612 CE1 TYR A 36 -7.266 -3.837 -0.036 1.00 0.00 C ATOM 613 CE2 TYR A 36 -5.592 -2.222 0.513 1.00 0.00 C ATOM 614 CZ TYR A 36 -6.879 -2.699 0.636 1.00 0.00 C ATOM 615 OH TYR A 36 -7.783 -2.035 1.434 1.00 0.00 O ATOM 0 H TYR A 36 -2.080 -4.473 -0.184 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.033 -6.619 -0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.332 -4.062 -2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.578 -5.202 -2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.663 -5.396 -1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.679 -2.517 -0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.276 -4.207 0.061 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.292 -1.328 1.039 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.704 -1.070 1.285 1.00 0.00 H new ATOM 625 N PRO A 37 -2.822 -7.732 -2.660 1.00 0.00 N ATOM 626 CA PRO A 37 -1.995 -8.586 -3.517 1.00 0.00 C ATOM 627 C PRO A 37 -1.804 -8.026 -4.925 1.00 0.00 C ATOM 628 O PRO A 37 -2.763 -7.628 -5.592 1.00 0.00 O ATOM 629 CB PRO A 37 -2.773 -9.914 -3.572 1.00 0.00 C ATOM 630 CG PRO A 37 -3.945 -9.745 -2.656 1.00 0.00 C ATOM 631 CD PRO A 37 -4.177 -8.268 -2.537 1.00 0.00 C ATOM 0 HA PRO A 37 -0.985 -8.679 -3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.101 -10.132 -4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.146 -10.747 -3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.827 -10.246 -3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.743 -10.187 -1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.835 -7.895 -3.321 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.635 -8.003 -1.584 1.00 0.00 H new ATOM 639 N ILE A 38 -0.556 -8.007 -5.373 1.00 0.00 N ATOM 640 CA ILE A 38 -0.218 -7.561 -6.717 1.00 0.00 C ATOM 641 C ILE A 38 0.486 -8.676 -7.482 1.00 0.00 C ATOM 642 O ILE A 38 1.428 -9.287 -6.975 1.00 0.00 O ATOM 643 CB ILE A 38 0.702 -6.321 -6.675 1.00 0.00 C ATOM 644 CG1 ILE A 38 -0.053 -5.107 -6.121 1.00 0.00 C ATOM 645 CG2 ILE A 38 1.262 -6.018 -8.060 1.00 0.00 C ATOM 646 CD1 ILE A 38 -0.843 -4.345 -7.164 1.00 0.00 C ATOM 0 H ILE A 38 0.248 -8.299 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.147 -7.297 -7.222 1.00 0.00 H new ATOM 0 HB ILE A 38 1.537 -6.539 -6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.733 -5.441 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.662 -4.429 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.907 -5.141 -8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.839 -6.872 -8.414 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.441 -5.824 -8.750 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.348 -3.502 -6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.167 -3.978 -7.936 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.584 -5.006 -7.614 1.00 0.00 H new ATOM 658 N LYS A 39 0.033 -8.946 -8.698 1.00 0.00 N ATOM 659 CA LYS A 39 0.680 -9.947 -9.527 1.00 0.00 C ATOM 660 C LYS A 39 1.023 -9.361 -10.888 1.00 0.00 C ATOM 661 O LYS A 39 0.134 -9.119 -11.705 1.00 0.00 O ATOM 662 CB LYS A 39 -0.209 -11.182 -9.702 1.00 0.00 C ATOM 663 CG LYS A 39 0.539 -12.369 -10.287 1.00 0.00 C ATOM 664 CD LYS A 39 -0.389 -13.524 -10.619 1.00 0.00 C ATOM 665 CE LYS A 39 -1.262 -13.212 -11.824 1.00 0.00 C ATOM 666 NZ LYS A 39 -2.065 -14.391 -12.241 1.00 0.00 N ATOM 0 H LYS A 39 -0.772 -8.490 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 39 1.597 -10.255 -9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.627 -11.463 -8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.048 -10.931 -10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.065 -12.056 -11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.295 -12.705 -9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.200 -14.419 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.021 -13.743 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.929 -12.383 -11.585 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.634 -12.887 -12.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.648 -14.140 -13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.428 -15.174 -12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.682 -14.685 -11.457 1.00 0.00 H new ATOM 680 N ASP A 40 2.310 -9.106 -11.108 1.00 0.00 N ATOM 681 CA ASP A 40 2.803 -8.590 -12.388 1.00 0.00 C ATOM 682 C ASP A 40 2.131 -7.255 -12.730 1.00 0.00 C ATOM 683 O ASP A 40 1.811 -6.972 -13.885 1.00 0.00 O ATOM 684 CB ASP A 40 2.573 -9.639 -13.490 1.00 0.00 C ATOM 685 CG ASP A 40 3.201 -9.274 -14.823 1.00 0.00 C ATOM 686 OD1 ASP A 40 4.252 -8.601 -14.839 1.00 0.00 O ATOM 687 OD2 ASP A 40 2.653 -9.679 -15.869 1.00 0.00 O ATOM 0 H ASP A 40 3.040 -9.249 -10.410 1.00 0.00 H new ATOM 0 HA ASP A 40 3.874 -8.401 -12.312 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.977 -10.596 -13.158 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.501 -9.777 -13.630 1.00 0.00 H new ATOM 692 N GLY A 41 1.926 -6.435 -11.707 1.00 0.00 N ATOM 693 CA GLY A 41 1.345 -5.117 -11.907 1.00 0.00 C ATOM 694 C GLY A 41 -0.165 -5.150 -12.030 1.00 0.00 C ATOM 695 O GLY A 41 -0.790 -4.145 -12.369 1.00 0.00 O ATOM 0 H GLY A 41 2.152 -6.658 -10.738 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.622 -4.473 -11.073 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.768 -4.672 -12.808 1.00 0.00 H new ATOM 699 N ILE A 42 -0.743 -6.307 -11.756 1.00 0.00 N ATOM 700 CA ILE A 42 -2.186 -6.497 -11.821 1.00 0.00 C ATOM 701 C ILE A 42 -2.756 -6.733 -10.424 1.00 0.00 C ATOM 702 O ILE A 42 -2.755 -7.860 -9.927 1.00 0.00 O ATOM 703 CB ILE A 42 -2.575 -7.666 -12.754 1.00 0.00 C ATOM 704 CG1 ILE A 42 -2.010 -7.430 -14.159 1.00 0.00 C ATOM 705 CG2 ILE A 42 -4.092 -7.835 -12.810 1.00 0.00 C ATOM 706 CD1 ILE A 42 -2.512 -6.161 -14.819 1.00 0.00 C ATOM 0 H ILE A 42 -0.227 -7.143 -11.482 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.613 -5.585 -12.237 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.147 -8.584 -12.352 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.922 -7.391 -14.101 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.265 -8.281 -14.790 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.342 -8.664 -13.473 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.472 -8.043 -11.810 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.546 -6.919 -13.187 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.067 -6.065 -15.809 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.597 -6.204 -14.912 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.233 -5.300 -14.211 1.00 0.00 H new ATOM 718 N PRO A 43 -3.162 -5.653 -9.741 1.00 0.00 N ATOM 719 CA PRO A 43 -3.708 -5.725 -8.382 1.00 0.00 C ATOM 720 C PRO A 43 -4.944 -6.617 -8.277 1.00 0.00 C ATOM 721 O PRO A 43 -5.967 -6.360 -8.914 1.00 0.00 O ATOM 722 CB PRO A 43 -4.091 -4.272 -8.061 1.00 0.00 C ATOM 723 CG PRO A 43 -4.139 -3.573 -9.376 1.00 0.00 C ATOM 724 CD PRO A 43 -3.140 -4.271 -10.249 1.00 0.00 C ATOM 0 HA PRO A 43 -2.982 -6.160 -7.695 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.055 -4.223 -7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.359 -3.811 -7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.138 -3.623 -9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.892 -2.517 -9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.421 -4.224 -11.301 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.149 -3.826 -10.163 1.00 0.00 H new ATOM 732 N TYR A 44 -4.841 -7.662 -7.475 1.00 0.00 N ATOM 733 CA TYR A 44 -5.989 -8.491 -7.141 1.00 0.00 C ATOM 734 C TYR A 44 -6.459 -8.124 -5.746 1.00 0.00 C ATOM 735 O TYR A 44 -6.606 -8.970 -4.862 1.00 0.00 O ATOM 736 CB TYR A 44 -5.636 -9.980 -7.234 1.00 0.00 C ATOM 737 CG TYR A 44 -5.463 -10.460 -8.658 1.00 0.00 C ATOM 738 CD1 TYR A 44 -6.569 -10.777 -9.435 1.00 0.00 C ATOM 739 CD2 TYR A 44 -4.203 -10.575 -9.233 1.00 0.00 C ATOM 740 CE1 TYR A 44 -6.426 -11.203 -10.740 1.00 0.00 C ATOM 741 CE2 TYR A 44 -4.052 -10.996 -10.543 1.00 0.00 C ATOM 742 CZ TYR A 44 -5.168 -11.306 -11.292 1.00 0.00 C ATOM 743 OH TYR A 44 -5.031 -11.714 -12.602 1.00 0.00 O ATOM 0 H TYR A 44 -3.968 -7.959 -7.039 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.793 -8.310 -7.854 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.716 -10.165 -6.680 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.420 -10.564 -6.753 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.558 -10.689 -9.011 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.328 -10.332 -8.649 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.297 -11.455 -11.326 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.066 -11.081 -10.976 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.081 -11.734 -12.841 1.00 0.00 H new ATOM 753 N MET A 45 -6.703 -6.837 -5.578 1.00 0.00 N ATOM 754 CA MET A 45 -6.969 -6.253 -4.277 1.00 0.00 C ATOM 755 C MET A 45 -8.434 -6.391 -3.874 1.00 0.00 C ATOM 756 O MET A 45 -9.174 -5.409 -3.802 1.00 0.00 O ATOM 757 CB MET A 45 -6.536 -4.784 -4.275 1.00 0.00 C ATOM 758 CG MET A 45 -7.139 -3.950 -5.396 1.00 0.00 C ATOM 759 SD MET A 45 -6.451 -2.283 -5.463 1.00 0.00 S ATOM 760 CE MET A 45 -6.751 -1.722 -3.789 1.00 0.00 C ATOM 0 H MET A 45 -6.722 -6.164 -6.345 1.00 0.00 H new ATOM 0 HA MET A 45 -6.388 -6.801 -3.535 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.810 -4.338 -3.319 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.449 -4.738 -4.348 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.967 -4.449 -6.349 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.219 -3.889 -5.259 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.878 -0.639 -3.785 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.654 -2.195 -3.403 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.904 -1.990 -3.158 1.00 0.00 H new ATOM 770 N LEU A 46 -8.849 -7.618 -3.621 1.00 0.00 N ATOM 771 CA LEU A 46 -10.184 -7.873 -3.125 1.00 0.00 C ATOM 772 C LEU A 46 -10.157 -7.916 -1.607 1.00 0.00 C ATOM 773 O LEU A 46 -9.111 -8.174 -1.007 1.00 0.00 O ATOM 774 CB LEU A 46 -10.726 -9.181 -3.694 1.00 0.00 C ATOM 775 CG LEU A 46 -10.903 -9.206 -5.215 1.00 0.00 C ATOM 776 CD1 LEU A 46 -11.411 -10.565 -5.670 1.00 0.00 C ATOM 777 CD2 LEU A 46 -11.856 -8.105 -5.659 1.00 0.00 C ATOM 0 H LEU A 46 -8.278 -8.453 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.847 -7.070 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.053 -9.989 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.689 -9.390 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.932 -9.029 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.531 -10.565 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.695 -11.335 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.372 -10.771 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.970 -8.138 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.827 -8.253 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.454 -7.135 -5.366 1.00 0.00 H new ATOM 789 N GLU A 47 -11.305 -7.675 -1.001 1.00 0.00 N ATOM 790 CA GLU A 47 -11.413 -7.530 0.446 1.00 0.00 C ATOM 791 C GLU A 47 -10.922 -8.783 1.180 1.00 0.00 C ATOM 792 O GLU A 47 -10.123 -8.689 2.116 1.00 0.00 O ATOM 793 CB GLU A 47 -12.868 -7.213 0.802 1.00 0.00 C ATOM 794 CG GLU A 47 -13.089 -6.722 2.223 1.00 0.00 C ATOM 795 CD GLU A 47 -13.359 -7.844 3.199 1.00 0.00 C ATOM 796 OE1 GLU A 47 -14.436 -8.474 3.098 1.00 0.00 O ATOM 797 OE2 GLU A 47 -12.517 -8.088 4.082 1.00 0.00 O ATOM 0 H GLU A 47 -12.192 -7.574 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.771 -6.711 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.239 -6.457 0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.468 -8.109 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.210 -6.166 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.929 -6.027 2.235 1.00 0.00 H new ATOM 804 N ASN A 48 -11.384 -9.952 0.751 1.00 0.00 N ATOM 805 CA ASN A 48 -10.999 -11.206 1.405 1.00 0.00 C ATOM 806 C ASN A 48 -9.692 -11.757 0.821 1.00 0.00 C ATOM 807 O ASN A 48 -9.140 -12.741 1.316 1.00 0.00 O ATOM 808 CB ASN A 48 -12.126 -12.246 1.288 1.00 0.00 C ATOM 809 CG ASN A 48 -11.891 -13.483 2.146 1.00 0.00 C ATOM 810 OD1 ASN A 48 -11.241 -13.426 3.191 1.00 0.00 O ATOM 811 ND2 ASN A 48 -12.426 -14.613 1.712 1.00 0.00 N ATOM 0 H ASN A 48 -12.020 -10.062 -0.039 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.831 -10.996 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.070 -11.784 1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.226 -12.548 0.246 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.306 -15.473 2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.958 -14.624 0.842 1.00 0.00 H new ATOM 818 N GLU A 49 -9.194 -11.115 -0.226 1.00 0.00 N ATOM 819 CA GLU A 49 -7.925 -11.513 -0.830 1.00 0.00 C ATOM 820 C GLU A 49 -6.762 -10.827 -0.121 1.00 0.00 C ATOM 821 O GLU A 49 -5.667 -11.385 -0.010 1.00 0.00 O ATOM 822 CB GLU A 49 -7.909 -11.161 -2.319 1.00 0.00 C ATOM 823 CG GLU A 49 -8.906 -11.950 -3.151 1.00 0.00 C ATOM 824 CD GLU A 49 -8.548 -13.414 -3.264 1.00 0.00 C ATOM 825 OE1 GLU A 49 -7.783 -13.773 -4.181 1.00 0.00 O ATOM 826 OE2 GLU A 49 -9.039 -14.217 -2.446 1.00 0.00 O ATOM 0 H GLU A 49 -9.645 -10.319 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.817 -12.592 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.118 -10.097 -2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.907 -11.333 -2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.897 -11.857 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.962 -11.517 -4.150 1.00 0.00 H new ATOM 833 N ALA A 50 -7.011 -9.614 0.357 1.00 0.00 N ATOM 834 CA ALA A 50 -5.998 -8.832 1.058 1.00 0.00 C ATOM 835 C ALA A 50 -5.648 -9.453 2.409 1.00 0.00 C ATOM 836 O ALA A 50 -6.466 -10.144 3.023 1.00 0.00 O ATOM 837 CB ALA A 50 -6.476 -7.399 1.249 1.00 0.00 C ATOM 0 H ALA A 50 -7.914 -9.147 0.271 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.096 -8.830 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.711 -6.827 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.665 -6.946 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.395 -7.397 1.835 1.00 0.00 H new ATOM 843 N ARG A 51 -4.429 -9.206 2.863 1.00 0.00 N ATOM 844 CA ARG A 51 -3.967 -9.703 4.142 1.00 0.00 C ATOM 845 C ARG A 51 -3.647 -8.527 5.061 1.00 0.00 C ATOM 846 O ARG A 51 -3.410 -7.424 4.582 1.00 0.00 O ATOM 847 CB ARG A 51 -2.731 -10.570 3.933 1.00 0.00 C ATOM 848 CG ARG A 51 -2.980 -11.796 3.069 1.00 0.00 C ATOM 849 CD ARG A 51 -4.119 -12.642 3.618 1.00 0.00 C ATOM 850 NE ARG A 51 -4.422 -13.787 2.759 1.00 0.00 N ATOM 851 CZ ARG A 51 -5.647 -14.085 2.319 1.00 0.00 C ATOM 852 NH1 ARG A 51 -6.675 -13.295 2.617 1.00 0.00 N ATOM 853 NH2 ARG A 51 -5.842 -15.166 1.576 1.00 0.00 N ATOM 0 H ARG A 51 -3.737 -8.657 2.354 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.746 -10.308 4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.949 -9.966 3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.356 -10.892 4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.215 -11.484 2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.072 -12.396 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.858 -12.997 4.615 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.010 -12.023 3.724 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.651 -14.394 2.480 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.529 -12.459 3.183 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.610 -13.525 2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.056 -15.771 1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.778 -15.392 1.241 1.00 0.00 H new ATOM 867 N PRO A 52 -3.659 -8.728 6.387 1.00 0.00 N ATOM 868 CA PRO A 52 -3.366 -7.656 7.341 1.00 0.00 C ATOM 869 C PRO A 52 -1.874 -7.368 7.480 1.00 0.00 C ATOM 870 O PRO A 52 -1.026 -8.205 7.154 1.00 0.00 O ATOM 871 CB PRO A 52 -3.927 -8.192 8.655 1.00 0.00 C ATOM 872 CG PRO A 52 -3.858 -9.677 8.530 1.00 0.00 C ATOM 873 CD PRO A 52 -3.977 -10.000 7.064 1.00 0.00 C ATOM 0 HA PRO A 52 -3.800 -6.708 7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.343 -7.840 9.506 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.952 -7.857 8.812 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.919 -10.055 8.933 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.661 -10.150 9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.285 -10.790 6.773 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.980 -10.346 6.812 1.00 0.00 H new ATOM 881 N LEU A 53 -1.564 -6.175 7.964 1.00 0.00 N ATOM 882 CA LEU A 53 -0.193 -5.781 8.220 1.00 0.00 C ATOM 883 C LEU A 53 0.124 -5.905 9.695 1.00 0.00 C ATOM 884 O LEU A 53 -0.779 -5.968 10.532 1.00 0.00 O ATOM 885 CB LEU A 53 0.039 -4.341 7.781 1.00 0.00 C ATOM 886 CG LEU A 53 0.162 -4.124 6.278 1.00 0.00 C ATOM 887 CD1 LEU A 53 0.324 -2.643 5.969 1.00 0.00 C ATOM 888 CD2 LEU A 53 1.333 -4.919 5.718 1.00 0.00 C ATOM 0 H LEU A 53 -2.254 -5.458 8.188 1.00 0.00 H new ATOM 0 HA LEU A 53 0.460 -6.442 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.783 -3.730 8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.948 -3.976 8.259 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.751 -4.479 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.411 -2.504 4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.545 -2.097 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.223 -2.266 6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.405 -4.752 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.256 -4.595 6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.177 -5.981 5.910 1.00 0.00 H new ATOM 900 N SER A 54 1.401 -5.937 10.010 1.00 0.00 N ATOM 901 CA SER A 54 1.834 -5.937 11.392 1.00 0.00 C ATOM 902 C SER A 54 2.159 -4.520 11.838 1.00 0.00 C ATOM 903 O SER A 54 2.224 -3.603 11.019 1.00 0.00 O ATOM 904 CB SER A 54 3.046 -6.847 11.583 1.00 0.00 C ATOM 905 OG SER A 54 4.077 -6.530 10.665 1.00 0.00 O ATOM 0 H SER A 54 2.159 -5.963 9.328 1.00 0.00 H new ATOM 0 HA SER A 54 1.021 -6.323 12.007 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.420 -6.749 12.602 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.747 -7.887 11.452 1.00 0.00 H new ATOM 0 HG SER A 54 3.843 -6.876 9.778 1.00 0.00 H new ATOM 911 N GLU A 55 2.379 -4.357 13.130 1.00 0.00 N ATOM 912 CA GLU A 55 2.639 -3.064 13.722 1.00 0.00 C ATOM 913 C GLU A 55 3.891 -2.419 13.146 1.00 0.00 C ATOM 914 O GLU A 55 3.890 -1.233 12.824 1.00 0.00 O ATOM 915 CB GLU A 55 2.779 -3.236 15.222 1.00 0.00 C ATOM 916 CG GLU A 55 1.451 -3.260 15.961 1.00 0.00 C ATOM 917 CD GLU A 55 1.618 -3.380 17.460 1.00 0.00 C ATOM 918 OE1 GLU A 55 1.797 -2.342 18.127 1.00 0.00 O ATOM 919 OE2 GLU A 55 1.574 -4.514 17.982 1.00 0.00 O ATOM 0 H GLU A 55 2.382 -5.126 13.800 1.00 0.00 H new ATOM 0 HA GLU A 55 1.804 -2.401 13.494 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.314 -4.164 15.424 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.390 -2.424 15.616 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.897 -2.349 15.733 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.853 -4.096 15.598 1.00 0.00 H new ATOM 926 N GLU A 56 4.955 -3.202 13.031 1.00 0.00 N ATOM 927 CA GLU A 56 6.204 -2.734 12.449 1.00 0.00 C ATOM 928 C GLU A 56 5.958 -2.161 11.055 1.00 0.00 C ATOM 929 O GLU A 56 6.373 -1.044 10.750 1.00 0.00 O ATOM 930 CB GLU A 56 7.185 -3.905 12.388 1.00 0.00 C ATOM 931 CG GLU A 56 8.634 -3.525 12.620 1.00 0.00 C ATOM 932 CD GLU A 56 9.280 -2.830 11.438 1.00 0.00 C ATOM 933 OE1 GLU A 56 9.436 -3.469 10.376 1.00 0.00 O ATOM 934 OE2 GLU A 56 9.647 -1.645 11.569 1.00 0.00 O ATOM 0 H GLU A 56 4.976 -4.175 13.337 1.00 0.00 H new ATOM 0 HA GLU A 56 6.625 -1.940 13.065 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.893 -4.646 13.132 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.100 -4.383 11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.694 -2.872 13.491 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.203 -4.424 12.856 1.00 0.00 H new ATOM 941 N GLU A 57 5.254 -2.928 10.232 1.00 0.00 N ATOM 942 CA GLU A 57 4.896 -2.512 8.888 1.00 0.00 C ATOM 943 C GLU A 57 4.050 -1.243 8.908 1.00 0.00 C ATOM 944 O GLU A 57 4.345 -0.277 8.209 1.00 0.00 O ATOM 945 CB GLU A 57 4.145 -3.651 8.212 1.00 0.00 C ATOM 946 CG GLU A 57 5.001 -4.895 8.039 1.00 0.00 C ATOM 947 CD GLU A 57 4.234 -6.086 7.503 1.00 0.00 C ATOM 948 OE1 GLU A 57 3.244 -6.492 8.146 1.00 0.00 O ATOM 949 OE2 GLU A 57 4.643 -6.650 6.467 1.00 0.00 O ATOM 0 H GLU A 57 4.916 -3.858 10.481 1.00 0.00 H new ATOM 0 HA GLU A 57 5.803 -2.283 8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.263 -3.901 8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.792 -3.319 7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.825 -4.668 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.442 -5.159 9.000 1.00 0.00 H new ATOM 956 N LEU A 58 2.992 -1.270 9.707 1.00 0.00 N ATOM 957 CA LEU A 58 2.146 -0.098 9.934 1.00 0.00 C ATOM 958 C LEU A 58 2.964 1.137 10.320 1.00 0.00 C ATOM 959 O LEU A 58 2.747 2.230 9.787 1.00 0.00 O ATOM 960 CB LEU A 58 1.133 -0.399 11.034 1.00 0.00 C ATOM 961 CG LEU A 58 0.125 -1.493 10.706 1.00 0.00 C ATOM 962 CD1 LEU A 58 -0.797 -1.744 11.890 1.00 0.00 C ATOM 963 CD2 LEU A 58 -0.680 -1.123 9.469 1.00 0.00 C ATOM 0 H LEU A 58 2.693 -2.101 10.217 1.00 0.00 H new ATOM 0 HA LEU A 58 1.633 0.121 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.674 -0.685 11.936 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.589 0.517 11.265 1.00 0.00 H new ATOM 0 HG LEU A 58 0.672 -2.413 10.498 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.510 -2.529 11.636 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.206 -2.055 12.752 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.336 -0.828 12.132 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.395 -1.916 9.250 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.216 -0.191 9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.007 -0.997 8.621 1.00 0.00 H new ATOM 975 N LYS A 59 3.888 0.963 11.258 1.00 0.00 N ATOM 976 CA LYS A 59 4.743 2.047 11.716 1.00 0.00 C ATOM 977 C LYS A 59 5.697 2.484 10.614 1.00 0.00 C ATOM 978 O LYS A 59 6.078 3.648 10.526 1.00 0.00 O ATOM 979 CB LYS A 59 5.522 1.578 12.939 1.00 0.00 C ATOM 980 CG LYS A 59 6.005 2.695 13.849 1.00 0.00 C ATOM 981 CD LYS A 59 7.298 3.330 13.350 1.00 0.00 C ATOM 982 CE LYS A 59 7.806 4.416 14.289 1.00 0.00 C ATOM 983 NZ LYS A 59 6.937 5.624 14.297 1.00 0.00 N ATOM 0 H LYS A 59 4.064 0.070 11.719 1.00 0.00 H new ATOM 0 HA LYS A 59 4.126 2.906 11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.892 0.903 13.518 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.384 1.001 12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.232 3.460 13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.160 2.301 14.853 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.061 2.559 13.242 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.133 3.756 12.360 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.871 4.014 15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.816 4.702 13.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.149 6.199 15.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.115 6.185 13.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.939 5.333 14.319 1.00 0.00 H new ATOM 997 N ALA A 60 6.045 1.546 9.755 1.00 0.00 N ATOM 998 CA ALA A 60 6.975 1.806 8.665 1.00 0.00 C ATOM 999 C ALA A 60 6.258 2.426 7.475 1.00 0.00 C ATOM 1000 O ALA A 60 6.792 2.486 6.366 1.00 0.00 O ATOM 1001 CB ALA A 60 7.691 0.527 8.254 1.00 0.00 C ATOM 0 H ALA A 60 5.696 0.588 9.789 1.00 0.00 H new ATOM 0 HA ALA A 60 7.720 2.518 9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.381 0.742 7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.246 0.132 9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.959 -0.210 7.924 1.00 0.00 H new ATOM 1007 N LEU A 61 5.064 2.917 7.737 1.00 0.00 N ATOM 1008 CA LEU A 61 4.268 3.631 6.749 1.00 0.00 C ATOM 1009 C LEU A 61 3.778 4.938 7.351 1.00 0.00 C ATOM 1010 O LEU A 61 2.769 5.502 6.927 1.00 0.00 O ATOM 1011 CB LEU A 61 3.073 2.787 6.318 1.00 0.00 C ATOM 1012 CG LEU A 61 3.408 1.474 5.616 1.00 0.00 C ATOM 1013 CD1 LEU A 61 2.140 0.674 5.380 1.00 0.00 C ATOM 1014 CD2 LEU A 61 4.125 1.741 4.301 1.00 0.00 C ATOM 0 H LEU A 61 4.612 2.833 8.647 1.00 0.00 H new ATOM 0 HA LEU A 61 4.886 3.834 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.473 2.563 7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.451 3.385 5.652 1.00 0.00 H new ATOM 0 HG LEU A 61 4.074 0.894 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.388 -0.261 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.663 0.458 6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.457 1.250 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.356 0.794 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.483 2.336 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.050 2.285 4.495 1.00 0.00 H new ATOM 1026 N GLU A 62 4.513 5.404 8.349 1.00 0.00 N ATOM 1027 CA GLU A 62 4.156 6.608 9.086 1.00 0.00 C ATOM 1028 C GLU A 62 4.216 7.849 8.195 1.00 0.00 C ATOM 1029 O GLU A 62 4.915 7.870 7.179 1.00 0.00 O ATOM 1030 CB GLU A 62 5.080 6.773 10.291 1.00 0.00 C ATOM 1031 CG GLU A 62 6.552 6.862 9.925 1.00 0.00 C ATOM 1032 CD GLU A 62 7.451 6.882 11.142 1.00 0.00 C ATOM 1033 OE1 GLU A 62 6.993 7.320 12.219 1.00 0.00 O ATOM 1034 OE2 GLU A 62 8.619 6.467 11.030 1.00 0.00 O ATOM 0 H GLU A 62 5.373 4.959 8.671 1.00 0.00 H new ATOM 0 HA GLU A 62 3.128 6.501 9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.795 7.673 10.835 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.933 5.931 10.968 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.818 6.014 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.723 7.763 9.336 1.00 0.00 H new ATOM 1041 N HIS A 63 3.487 8.887 8.599 1.00 0.00 N ATOM 1042 CA HIS A 63 3.374 10.112 7.806 1.00 0.00 C ATOM 1043 C HIS A 63 4.687 10.900 7.785 1.00 0.00 C ATOM 1044 O HIS A 63 4.906 11.730 6.903 1.00 0.00 O ATOM 1045 CB HIS A 63 2.221 10.994 8.324 1.00 0.00 C ATOM 1046 CG HIS A 63 2.441 11.623 9.676 1.00 0.00 C ATOM 1047 ND1 HIS A 63 2.047 12.910 9.973 1.00 0.00 N ATOM 1048 CD2 HIS A 63 2.993 11.135 10.815 1.00 0.00 C ATOM 1049 CE1 HIS A 63 2.345 13.186 11.229 1.00 0.00 C ATOM 1050 NE2 HIS A 63 2.919 12.125 11.761 1.00 0.00 N ATOM 0 H HIS A 63 2.963 8.905 9.474 1.00 0.00 H new ATOM 0 HA HIS A 63 3.153 9.816 6.781 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.040 11.787 7.599 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.315 10.389 8.367 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.413 10.149 10.951 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.152 14.121 11.734 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.254 12.052 12.722 1.00 0.00 H new ATOM 1059 N HIS A 64 5.555 10.643 8.753 1.00 0.00 N ATOM 1060 CA HIS A 64 6.835 11.332 8.821 1.00 0.00 C ATOM 1061 C HIS A 64 7.965 10.318 8.923 1.00 0.00 C ATOM 1062 O HIS A 64 8.227 9.773 9.993 1.00 0.00 O ATOM 1063 CB HIS A 64 6.864 12.296 10.014 1.00 0.00 C ATOM 1064 CG HIS A 64 8.124 13.106 10.116 1.00 0.00 C ATOM 1065 ND1 HIS A 64 9.130 12.818 11.010 1.00 0.00 N ATOM 1066 CD2 HIS A 64 8.534 14.206 9.436 1.00 0.00 C ATOM 1067 CE1 HIS A 64 10.101 13.701 10.879 1.00 0.00 C ATOM 1068 NE2 HIS A 64 9.767 14.555 9.931 1.00 0.00 N ATOM 0 H HIS A 64 5.397 9.965 9.499 1.00 0.00 H new ATOM 0 HA HIS A 64 6.970 11.916 7.910 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.014 12.974 9.940 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.737 11.724 10.933 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.992 14.713 8.651 1.00 0.00 H new ATOM 0 HE1 HIS A 64 11.016 13.721 11.452 1.00 0.00 H new ATOM 0 HE2 HIS A 64 10.331 15.345 9.617 1.00 0.00 H new ATOM 1077 N HIS A 65 8.616 10.051 7.804 1.00 0.00 N ATOM 1078 CA HIS A 65 9.688 9.067 7.766 1.00 0.00 C ATOM 1079 C HIS A 65 11.055 9.726 7.842 1.00 0.00 C ATOM 1080 O HIS A 65 11.278 10.791 7.267 1.00 0.00 O ATOM 1081 CB HIS A 65 9.607 8.227 6.491 1.00 0.00 C ATOM 1082 CG HIS A 65 9.093 6.838 6.707 1.00 0.00 C ATOM 1083 ND1 HIS A 65 9.570 6.002 7.694 1.00 0.00 N ATOM 1084 CD2 HIS A 65 8.148 6.131 6.044 1.00 0.00 C ATOM 1085 CE1 HIS A 65 8.946 4.843 7.626 1.00 0.00 C ATOM 1086 NE2 HIS A 65 8.075 4.895 6.633 1.00 0.00 N ATOM 0 H HIS A 65 8.422 10.501 6.909 1.00 0.00 H new ATOM 0 HA HIS A 65 9.561 8.423 8.636 1.00 0.00 H new ATOM 0 HB2 HIS A 65 8.961 8.735 5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.599 8.170 6.042 1.00 0.00 H new ATOM 0 HD2 HIS A 65 7.560 6.477 5.206 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.117 3.995 8.272 1.00 0.00 H new ATOM 0 HE2 HIS A 65 7.451 4.139 6.351 1.00 0.00 H new ATOM 1095 N HIS A 66 11.956 9.092 8.572 1.00 0.00 N ATOM 1096 CA HIS A 66 13.353 9.486 8.593 1.00 0.00 C ATOM 1097 C HIS A 66 14.205 8.271 8.919 1.00 0.00 C ATOM 1098 O HIS A 66 14.011 7.621 9.952 1.00 0.00 O ATOM 1099 CB HIS A 66 13.618 10.606 9.604 1.00 0.00 C ATOM 1100 CG HIS A 66 15.005 11.170 9.502 1.00 0.00 C ATOM 1101 ND1 HIS A 66 15.987 10.938 10.441 1.00 0.00 N ATOM 1102 CD2 HIS A 66 15.572 11.955 8.555 1.00 0.00 C ATOM 1103 CE1 HIS A 66 17.098 11.550 10.072 1.00 0.00 C ATOM 1104 NE2 HIS A 66 16.872 12.173 8.933 1.00 0.00 N ATOM 0 H HIS A 66 11.740 8.291 9.166 1.00 0.00 H new ATOM 0 HA HIS A 66 13.615 9.875 7.609 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.894 11.406 9.450 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.460 10.223 10.612 1.00 0.00 H new ATOM 0 HD2 HIS A 66 15.090 12.338 7.668 1.00 0.00 H new ATOM 0 HE1 HIS A 66 18.033 11.541 10.612 1.00 0.00 H new ATOM 0 HE2 HIS A 66 17.554 12.728 8.416 1.00 0.00 H new ATOM 1113 N HIS A 67 15.139 7.968 8.033 1.00 0.00 N ATOM 1114 CA HIS A 67 15.974 6.783 8.167 1.00 0.00 C ATOM 1115 C HIS A 67 17.047 6.979 9.229 1.00 0.00 C ATOM 1116 O HIS A 67 17.218 8.077 9.762 1.00 0.00 O ATOM 1117 CB HIS A 67 16.626 6.428 6.827 1.00 0.00 C ATOM 1118 CG HIS A 67 15.666 5.883 5.817 1.00 0.00 C ATOM 1119 ND1 HIS A 67 16.025 5.580 4.521 1.00 0.00 N ATOM 1120 CD2 HIS A 67 14.356 5.573 5.923 1.00 0.00 C ATOM 1121 CE1 HIS A 67 14.976 5.107 3.877 1.00 0.00 C ATOM 1122 NE2 HIS A 67 13.949 5.091 4.706 1.00 0.00 N ATOM 0 H HIS A 67 15.340 8.531 7.206 1.00 0.00 H new ATOM 0 HA HIS A 67 15.330 5.961 8.478 1.00 0.00 H new ATOM 0 HB2 HIS A 67 17.103 7.318 6.418 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.414 5.695 6.999 1.00 0.00 H new ATOM 0 HD2 HIS A 67 13.742 5.684 6.804 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.960 4.787 2.846 1.00 0.00 H new ATOM 0 HE2 HIS A 67 13.007 4.772 4.478 1.00 0.00 H new ATOM 1131 N HIS A 68 17.762 5.906 9.531 1.00 0.00 N ATOM 1132 CA HIS A 68 18.830 5.947 10.516 1.00 0.00 C ATOM 1133 C HIS A 68 20.127 5.475 9.872 1.00 0.00 C ATOM 1134 O HIS A 68 20.486 4.292 10.050 1.00 0.00 O ATOM 1135 CB HIS A 68 18.492 5.062 11.725 1.00 0.00 C ATOM 1136 CG HIS A 68 17.163 5.360 12.359 1.00 0.00 C ATOM 1137 ND1 HIS A 68 16.022 4.643 12.075 1.00 0.00 N ATOM 1138 CD2 HIS A 68 16.797 6.294 13.272 1.00 0.00 C ATOM 1139 CE1 HIS A 68 15.013 5.121 12.781 1.00 0.00 C ATOM 1140 NE2 HIS A 68 15.455 6.124 13.519 1.00 0.00 N ATOM 1141 OXT HIS A 68 20.758 6.275 9.154 1.00 0.00 O ATOM 0 H HIS A 68 17.620 4.991 9.104 1.00 0.00 H new ATOM 0 HA HIS A 68 18.946 6.972 10.867 1.00 0.00 H new ATOM 0 HB2 HIS A 68 18.505 4.018 11.411 1.00 0.00 H new ATOM 0 HB3 HIS A 68 19.274 5.179 12.476 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.441 7.035 13.722 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.998 4.754 12.759 1.00 0.00 H new ATOM 0 HE2 HIS A 68 14.894 6.680 14.165 1.00 0.00 H new TER 1150 HIS A 68