USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 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 24 TYR OH : rot 30:sc= 0.317 USER MOD Set 1.2: A 26 ASN : amide:sc= 0.277 K(o=0.59,f=-5.3!) USER MOD Set 2.1: A 12 ASN : amide:sc= -0.819! K(o=-0.38!,f=0.45) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.443 K(o=-0.38,f=0.45) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc=-0.00061 (180deg=-0.113) USER MOD Single : A 10 HIS : no HD1:sc=-0.00747 X(o=-0.0075,f=-0.34) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.379) USER MOD Single : A 25 TYR OH : rot 98:sc= -0.0107 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000644) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.019) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 122:sc= 0.164 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.8 K(o=-0.8,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0491) USER MOD Single : A 49 THR OG1 : rot 135:sc= 0.33 USER MOD Single : A 56 THR OG1 : rot 176:sc= 0.549 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -12.988 -5.841 -4.519 1.00 0.00 N ATOM 35 CA LEU A 3 -11.794 -5.838 -3.677 1.00 0.00 C ATOM 36 C LEU A 3 -10.940 -7.083 -3.944 1.00 0.00 C ATOM 37 O LEU A 3 -11.387 -8.040 -4.579 1.00 0.00 O ATOM 38 CB LEU A 3 -12.158 -5.688 -2.179 1.00 0.00 C ATOM 39 CG LEU A 3 -12.614 -6.967 -1.446 1.00 0.00 C ATOM 40 CD1 LEU A 3 -12.901 -6.612 0.022 1.00 0.00 C ATOM 41 CD2 LEU A 3 -13.847 -7.619 -2.090 1.00 0.00 C ATOM 0 HA LEU A 3 -11.193 -4.968 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.290 -5.287 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.952 -4.946 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.812 -7.702 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.225 -7.505 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.995 -6.221 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.687 -5.858 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.120 -8.514 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.679 -6.915 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.618 -7.891 -3.120 1.00 0.00 H new ATOM 53 N ARG A 4 -9.696 -7.053 -3.450 1.00 0.00 N ATOM 54 CA ARG A 4 -8.718 -8.124 -3.594 1.00 0.00 C ATOM 55 C ARG A 4 -7.871 -8.277 -2.330 1.00 0.00 C ATOM 56 O ARG A 4 -7.783 -7.365 -1.506 1.00 0.00 O ATOM 57 CB ARG A 4 -7.859 -7.865 -4.845 1.00 0.00 C ATOM 58 CG ARG A 4 -7.081 -6.539 -4.804 1.00 0.00 C ATOM 59 CD ARG A 4 -6.287 -6.351 -6.103 1.00 0.00 C ATOM 60 NE ARG A 4 -5.512 -5.100 -6.095 1.00 0.00 N ATOM 61 CZ ARG A 4 -4.786 -4.634 -7.129 1.00 0.00 C ATOM 62 NH1 ARG A 4 -4.726 -5.298 -8.295 1.00 0.00 N ATOM 63 NH2 ARG A 4 -4.106 -3.488 -6.996 1.00 0.00 N ATOM 0 H ARG A 4 -9.337 -6.256 -2.924 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.239 -9.072 -3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.152 -8.686 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.504 -7.869 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.772 -5.707 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.403 -6.533 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.612 -7.196 -6.242 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.972 -6.348 -6.951 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.526 -4.543 -5.241 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.237 -6.173 -8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.170 -4.927 -9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.140 -2.974 -6.116 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.554 -3.129 -7.775 1.00 0.00 H new ATOM 77 N LYS A 5 -7.241 -9.455 -2.196 1.00 0.00 N ATOM 78 CA LYS A 5 -6.383 -9.806 -1.068 1.00 0.00 C ATOM 79 C LYS A 5 -5.141 -8.914 -0.979 1.00 0.00 C ATOM 80 O LYS A 5 -4.458 -8.927 0.042 1.00 0.00 O ATOM 81 CB LYS A 5 -6.004 -11.300 -1.127 1.00 0.00 C ATOM 82 CG LYS A 5 -7.131 -12.264 -0.712 1.00 0.00 C ATOM 83 CD LYS A 5 -8.340 -12.277 -1.662 1.00 0.00 C ATOM 84 CE LYS A 5 -9.352 -13.378 -1.309 1.00 0.00 C ATOM 85 NZ LYS A 5 -8.814 -14.732 -1.531 1.00 0.00 N ATOM 0 H LYS A 5 -7.320 -10.201 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.952 -9.629 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.692 -11.542 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.143 -11.469 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.724 -13.273 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.473 -11.995 0.287 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.836 -11.307 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.993 -12.421 -2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.647 -13.275 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.252 -13.245 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.584 -15.428 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.387 -14.785 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.091 -14.940 -0.813 1.00 0.00 H new ATOM 99 N LEU A 6 -4.850 -8.128 -2.023 1.00 0.00 N ATOM 100 CA LEU A 6 -3.731 -7.196 -2.033 1.00 0.00 C ATOM 101 C LEU A 6 -3.916 -6.106 -0.969 1.00 0.00 C ATOM 102 O LEU A 6 -2.940 -5.514 -0.513 1.00 0.00 O ATOM 103 CB LEU A 6 -3.566 -6.573 -3.427 1.00 0.00 C ATOM 104 CG LEU A 6 -2.103 -6.169 -3.673 1.00 0.00 C ATOM 105 CD1 LEU A 6 -1.229 -7.433 -3.771 1.00 0.00 C ATOM 106 CD2 LEU A 6 -2.013 -5.311 -4.939 1.00 0.00 C ATOM 0 H LEU A 6 -5.392 -8.126 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.823 -7.749 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.885 -7.285 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.210 -5.698 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.732 -5.572 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.192 -7.146 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.298 -7.996 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.577 -8.053 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.975 -5.025 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.379 -5.882 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.620 -4.414 -4.815 1.00 0.00 H new ATOM 118 N CYS A 7 -5.173 -5.865 -0.573 1.00 0.00 N ATOM 119 CA CYS A 7 -5.553 -4.891 0.448 1.00 0.00 C ATOM 120 C CYS A 7 -5.554 -5.544 1.845 1.00 0.00 C ATOM 121 O CYS A 7 -6.163 -5.001 2.766 1.00 0.00 O ATOM 122 CB CYS A 7 -6.939 -4.331 0.091 1.00 0.00 C ATOM 123 SG CYS A 7 -7.028 -3.463 -1.501 1.00 0.00 S ATOM 0 H CYS A 7 -5.973 -6.359 -0.968 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.831 -4.075 0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.655 -5.153 0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.252 -3.646 0.879 1.00 0.00 H new ATOM 128 N ILE A 8 -4.869 -6.692 2.005 1.00 0.00 N ATOM 129 CA ILE A 8 -4.754 -7.481 3.232 1.00 0.00 C ATOM 130 C ILE A 8 -3.283 -7.868 3.478 1.00 0.00 C ATOM 131 O ILE A 8 -2.901 -8.083 4.628 1.00 0.00 O ATOM 132 CB ILE A 8 -5.639 -8.755 3.127 1.00 0.00 C ATOM 133 CG1 ILE A 8 -7.109 -8.463 2.740 1.00 0.00 C ATOM 134 CG2 ILE A 8 -5.611 -9.557 4.443 1.00 0.00 C ATOM 135 CD1 ILE A 8 -7.926 -7.718 3.804 1.00 0.00 C ATOM 0 H ILE A 8 -4.353 -7.113 1.232 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.100 -6.882 4.074 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.203 -9.342 2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.117 -7.876 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.605 -9.408 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.238 -10.443 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.587 -9.860 4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.988 -8.936 5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.941 -7.561 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.957 -8.309 4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.461 -6.754 4.010 1.00 0.00 H new ATOM 147 N LEU A 9 -2.456 -7.951 2.419 1.00 0.00 N ATOM 148 CA LEU A 9 -1.053 -8.328 2.486 1.00 0.00 C ATOM 149 C LEU A 9 -0.232 -7.085 2.854 1.00 0.00 C ATOM 150 O LEU A 9 0.341 -6.423 1.989 1.00 0.00 O ATOM 151 CB LEU A 9 -0.633 -8.959 1.144 1.00 0.00 C ATOM 152 CG LEU A 9 -1.376 -10.264 0.790 1.00 0.00 C ATOM 153 CD1 LEU A 9 -1.077 -10.637 -0.670 1.00 0.00 C ATOM 154 CD2 LEU A 9 -0.979 -11.426 1.715 1.00 0.00 C ATOM 0 H LEU A 9 -2.767 -7.749 1.469 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.874 -9.079 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.800 -8.233 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.438 -9.161 1.172 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.443 -10.089 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.600 -11.559 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.414 -9.835 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.004 -10.782 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.527 -12.323 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.092 -11.611 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.219 -11.168 2.746 1.00 0.00 H new ATOM 166 N HIS A 10 -0.218 -6.796 4.164 1.00 0.00 N ATOM 167 CA HIS A 10 0.447 -5.703 4.873 1.00 0.00 C ATOM 168 C HIS A 10 1.721 -5.208 4.169 1.00 0.00 C ATOM 169 O HIS A 10 2.657 -5.979 3.968 1.00 0.00 O ATOM 170 CB HIS A 10 0.779 -6.196 6.294 1.00 0.00 C ATOM 171 CG HIS A 10 1.453 -5.168 7.173 1.00 0.00 C ATOM 172 ND1 HIS A 10 2.842 -5.036 7.214 1.00 0.00 N ATOM 173 CD2 HIS A 10 0.897 -4.249 8.024 1.00 0.00 C ATOM 174 CE1 HIS A 10 3.066 -4.041 8.076 1.00 0.00 C ATOM 175 NE2 HIS A 10 1.933 -3.538 8.592 1.00 0.00 N ATOM 0 H HIS A 10 -0.728 -7.389 4.819 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.229 -4.848 4.896 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.143 -6.520 6.777 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.425 -7.071 6.220 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.157 -4.108 8.214 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.052 -3.680 8.331 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.854 -2.780 9.270 1.00 0.00 H new ATOM 183 N ARG A 11 1.744 -3.915 3.817 1.00 0.00 N ATOM 184 CA ARG A 11 2.824 -3.203 3.159 1.00 0.00 C ATOM 185 C ARG A 11 4.146 -3.303 3.949 1.00 0.00 C ATOM 186 O ARG A 11 4.145 -3.213 5.176 1.00 0.00 O ATOM 187 CB ARG A 11 2.353 -1.748 2.984 1.00 0.00 C ATOM 188 CG ARG A 11 2.412 -0.805 4.197 1.00 0.00 C ATOM 189 CD ARG A 11 1.592 -1.256 5.415 1.00 0.00 C ATOM 190 NE ARG A 11 1.760 -0.316 6.533 1.00 0.00 N ATOM 191 CZ ARG A 11 1.041 -0.302 7.669 1.00 0.00 C ATOM 192 NH1 ARG A 11 0.018 -1.150 7.861 1.00 0.00 N ATOM 193 NH2 ARG A 11 1.344 0.586 8.626 1.00 0.00 N ATOM 0 H ARG A 11 0.948 -3.305 4.002 1.00 0.00 H new ATOM 0 HA ARG A 11 3.045 -3.647 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.948 -1.301 2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.321 -1.774 2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.453 -0.694 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.063 0.180 3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.538 -1.323 5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.906 -2.254 5.722 1.00 0.00 H new ATOM 0 HE ARG A 11 2.489 0.391 6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.228 -1.824 7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.513 -1.120 8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.113 1.242 8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.806 0.606 9.492 1.00 0.00 H new ATOM 207 N ASN A 12 5.274 -3.502 3.247 1.00 0.00 N ATOM 208 CA ASN A 12 6.625 -3.598 3.820 1.00 0.00 C ATOM 209 C ASN A 12 7.558 -2.619 3.078 1.00 0.00 C ATOM 210 O ASN A 12 8.538 -3.034 2.462 1.00 0.00 O ATOM 211 CB ASN A 12 7.126 -5.061 3.822 1.00 0.00 C ATOM 212 CG ASN A 12 6.051 -6.077 4.225 1.00 0.00 C ATOM 213 OD1 ASN A 12 5.844 -6.329 5.410 1.00 0.00 O ATOM 214 ND2 ASN A 12 5.359 -6.654 3.242 1.00 0.00 N ATOM 0 H ASN A 12 5.269 -3.604 2.232 1.00 0.00 H new ATOM 0 HA ASN A 12 6.613 -3.301 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.496 -5.311 2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.970 -5.146 4.507 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.628 -7.331 3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.560 -6.419 2.270 1.00 0.00 H new ATOM 221 N PRO A 13 7.282 -1.302 3.165 1.00 0.00 N ATOM 222 CA PRO A 13 8.022 -0.228 2.508 1.00 0.00 C ATOM 223 C PRO A 13 9.333 0.162 3.225 1.00 0.00 C ATOM 224 O PRO A 13 9.788 1.294 3.062 1.00 0.00 O ATOM 225 CB PRO A 13 7.048 0.961 2.558 1.00 0.00 C ATOM 226 CG PRO A 13 6.381 0.766 3.914 1.00 0.00 C ATOM 227 CD PRO A 13 6.131 -0.732 3.839 1.00 0.00 C ATOM 0 HA PRO A 13 8.329 -0.535 1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.567 1.917 2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.327 0.933 1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.028 1.044 4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.462 1.342 4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.014 -1.157 4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.214 -0.946 3.291 1.00 0.00 H new ATOM 235 N GLY A 14 9.950 -0.732 4.013 1.00 0.00 N ATOM 236 CA GLY A 14 11.174 -0.434 4.757 1.00 0.00 C ATOM 237 C GLY A 14 12.162 -1.595 4.915 1.00 0.00 C ATOM 238 O GLY A 14 13.209 -1.413 5.537 1.00 0.00 O ATOM 0 H GLY A 14 9.609 -1.684 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.687 0.389 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.896 -0.082 5.750 1.00 0.00 H new ATOM 242 N ARG A 15 11.846 -2.772 4.361 1.00 0.00 N ATOM 243 CA ARG A 15 12.658 -3.989 4.438 1.00 0.00 C ATOM 244 C ARG A 15 13.659 -4.109 3.266 1.00 0.00 C ATOM 245 O ARG A 15 13.900 -5.221 2.796 1.00 0.00 O ATOM 246 CB ARG A 15 11.680 -5.188 4.553 1.00 0.00 C ATOM 247 CG ARG A 15 12.151 -6.356 5.445 1.00 0.00 C ATOM 248 CD ARG A 15 13.173 -7.307 4.809 1.00 0.00 C ATOM 249 NE ARG A 15 12.664 -7.882 3.552 1.00 0.00 N ATOM 250 CZ ARG A 15 13.384 -8.565 2.645 1.00 0.00 C ATOM 251 NH1 ARG A 15 14.701 -8.767 2.805 1.00 0.00 N ATOM 252 NH2 ARG A 15 12.768 -9.054 1.559 1.00 0.00 N ATOM 0 H ARG A 15 10.987 -2.906 3.828 1.00 0.00 H new ATOM 0 HA ARG A 15 13.300 -3.965 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.729 -4.821 4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.489 -5.574 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.585 -5.942 6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.278 -6.937 5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.101 -6.769 4.615 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.410 -8.109 5.508 1.00 0.00 H new ATOM 0 HE ARG A 15 11.673 -7.750 3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.177 -8.399 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.226 -9.288 2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.767 -8.906 1.430 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.300 -9.574 0.862 1.00 0.00 H new ATOM 266 N CYS A 16 14.255 -3.000 2.777 1.00 0.00 N ATOM 267 CA CYS A 16 15.226 -3.042 1.672 1.00 0.00 C ATOM 268 C CYS A 16 15.981 -1.694 1.564 1.00 0.00 C ATOM 269 O CYS A 16 16.374 -1.154 2.599 1.00 0.00 O ATOM 270 CB CYS A 16 14.498 -3.441 0.378 1.00 0.00 C ATOM 271 SG CYS A 16 15.511 -4.125 -0.973 1.00 0.00 S ATOM 0 H CYS A 16 14.076 -2.062 3.135 1.00 0.00 H new ATOM 0 HA CYS A 16 15.989 -3.797 1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 16 13.735 -4.176 0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 16 13.979 -2.561 -0.002 1.00 0.00 H new ATOM 276 N TYR A 17 16.198 -1.146 0.347 1.00 0.00 N ATOM 277 CA TYR A 17 16.925 0.106 0.115 1.00 0.00 C ATOM 278 C TYR A 17 16.756 0.617 -1.337 1.00 0.00 C ATOM 279 O TYR A 17 17.543 0.281 -2.220 1.00 0.00 O ATOM 280 CB TYR A 17 18.422 -0.071 0.484 1.00 0.00 C ATOM 281 CG TYR A 17 19.173 -1.220 -0.189 1.00 0.00 C ATOM 282 CD1 TYR A 17 19.014 -2.548 0.274 1.00 0.00 C ATOM 283 CD2 TYR A 17 20.044 -0.967 -1.275 1.00 0.00 C ATOM 284 CE1 TYR A 17 19.650 -3.617 -0.391 1.00 0.00 C ATOM 285 CE2 TYR A 17 20.688 -2.035 -1.936 1.00 0.00 C ATOM 286 CZ TYR A 17 20.483 -3.362 -1.501 1.00 0.00 C ATOM 287 OH TYR A 17 21.090 -4.401 -2.147 1.00 0.00 O ATOM 0 H TYR A 17 15.862 -1.577 -0.514 1.00 0.00 H new ATOM 0 HA TYR A 17 16.495 0.869 0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 17 18.941 0.858 0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 17 18.491 -0.208 1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.402 -2.744 1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 17 20.217 0.048 -1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.499 -4.631 -0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 17 21.338 -1.837 -2.775 1.00 0.00 H new ATOM 0 HH TYR A 17 21.628 -4.055 -2.890 1.00 0.00 H new ATOM 297 N GLN A 18 15.726 1.445 -1.572 1.00 0.00 N ATOM 298 CA GLN A 18 15.362 2.111 -2.839 1.00 0.00 C ATOM 299 C GLN A 18 14.369 3.232 -2.463 1.00 0.00 C ATOM 300 O GLN A 18 14.340 3.685 -1.316 1.00 0.00 O ATOM 301 CB GLN A 18 14.977 1.076 -3.935 1.00 0.00 C ATOM 302 CG GLN A 18 15.069 1.581 -5.391 1.00 0.00 C ATOM 303 CD GLN A 18 14.776 0.486 -6.426 1.00 0.00 C ATOM 304 OE1 GLN A 18 14.470 -0.655 -6.082 1.00 0.00 O ATOM 305 NE2 GLN A 18 14.862 0.836 -7.713 1.00 0.00 N ATOM 0 H GLN A 18 15.074 1.687 -0.826 1.00 0.00 H new ATOM 0 HA GLN A 18 16.187 2.611 -3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 18 15.624 0.205 -3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.957 0.740 -3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.366 2.402 -5.530 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.067 1.983 -5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.118 1.790 -7.966 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.671 0.149 -8.442 1.00 0.00 H new ATOM 314 N LYS A 19 13.585 3.730 -3.417 1.00 0.00 N ATOM 315 CA LYS A 19 12.640 4.795 -3.255 1.00 0.00 C ATOM 316 C LYS A 19 11.640 4.708 -4.432 1.00 0.00 C ATOM 317 O LYS A 19 11.998 4.746 -5.610 1.00 0.00 O ATOM 318 CB LYS A 19 13.400 6.118 -3.325 1.00 0.00 C ATOM 319 CG LYS A 19 12.787 7.374 -2.721 1.00 0.00 C ATOM 320 CD LYS A 19 12.762 7.305 -1.190 1.00 0.00 C ATOM 321 CE LYS A 19 12.565 8.694 -0.562 1.00 0.00 C ATOM 322 NZ LYS A 19 11.310 9.336 -0.990 1.00 0.00 N ATOM 0 H LYS A 19 13.605 3.370 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 19 12.112 4.726 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.366 5.964 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.596 6.325 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.357 8.247 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.772 7.502 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.958 6.643 -0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.695 6.872 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.570 8.602 0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.406 9.333 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.928 9.907 -0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.496 9.950 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.619 8.605 -1.255 1.00 0.00 H new ATOM 336 N ILE A 20 10.390 4.607 -4.041 1.00 0.00 N ATOM 337 CA ILE A 20 9.153 4.578 -4.857 1.00 0.00 C ATOM 338 C ILE A 20 7.999 5.072 -3.965 1.00 0.00 C ATOM 339 O ILE A 20 7.098 4.300 -3.637 1.00 0.00 O ATOM 340 CB ILE A 20 8.803 3.196 -5.507 1.00 0.00 C ATOM 341 CG1 ILE A 20 9.882 2.567 -6.414 1.00 0.00 C ATOM 342 CG2 ILE A 20 7.521 3.273 -6.369 1.00 0.00 C ATOM 343 CD1 ILE A 20 10.057 3.144 -7.817 1.00 0.00 C ATOM 0 H ILE A 20 10.170 4.535 -3.048 1.00 0.00 H new ATOM 0 HA ILE A 20 9.319 5.229 -5.716 1.00 0.00 H new ATOM 0 HB ILE A 20 8.690 2.564 -4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.839 2.644 -5.898 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.658 1.505 -6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.314 2.294 -6.801 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.681 3.579 -5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.663 4.000 -7.169 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.848 2.604 -8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.124 3.042 -8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.324 4.199 -7.746 1.00 0.00 H new ATOM 355 N PRO A 21 7.972 6.353 -3.551 1.00 0.00 N ATOM 356 CA PRO A 21 6.902 6.849 -2.713 1.00 0.00 C ATOM 357 C PRO A 21 5.561 6.827 -3.426 1.00 0.00 C ATOM 358 O PRO A 21 5.420 7.247 -4.574 1.00 0.00 O ATOM 359 CB PRO A 21 7.266 8.245 -2.253 1.00 0.00 C ATOM 360 CG PRO A 21 8.369 8.671 -3.227 1.00 0.00 C ATOM 361 CD PRO A 21 9.020 7.348 -3.644 1.00 0.00 C ATOM 0 HA PRO A 21 6.789 6.194 -1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.410 8.918 -2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.619 8.248 -1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.960 9.204 -4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.088 9.338 -2.751 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.415 7.408 -4.658 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.856 7.099 -2.990 1.00 0.00 H new ATOM 369 N ALA A 22 4.594 6.314 -2.672 1.00 0.00 N ATOM 370 CA ALA A 22 3.206 6.169 -3.110 1.00 0.00 C ATOM 371 C ALA A 22 2.258 6.181 -1.898 1.00 0.00 C ATOM 372 O ALA A 22 2.448 7.004 -1.002 1.00 0.00 O ATOM 373 CB ALA A 22 3.111 4.916 -3.999 1.00 0.00 C ATOM 0 H ALA A 22 4.754 5.981 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 22 2.882 7.013 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.083 4.787 -4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.766 5.032 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.417 4.040 -3.427 1.00 0.00 H new ATOM 379 N PHE A 23 1.234 5.308 -1.870 1.00 0.00 N ATOM 380 CA PHE A 23 0.246 5.203 -0.794 1.00 0.00 C ATOM 381 C PHE A 23 0.011 3.733 -0.389 1.00 0.00 C ATOM 382 O PHE A 23 0.333 2.805 -1.133 1.00 0.00 O ATOM 383 CB PHE A 23 -1.124 5.735 -1.271 1.00 0.00 C ATOM 384 CG PHE A 23 -1.249 7.165 -1.775 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.563 7.588 -2.934 1.00 0.00 C ATOM 386 CD2 PHE A 23 -2.106 8.072 -1.108 1.00 0.00 C ATOM 387 CE1 PHE A 23 -0.615 8.940 -3.335 1.00 0.00 C ATOM 388 CE2 PHE A 23 -2.179 9.418 -1.522 1.00 0.00 C ATOM 389 CZ PHE A 23 -1.419 9.857 -2.626 1.00 0.00 C ATOM 0 H PHE A 23 1.071 4.638 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 23 0.637 5.779 0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.467 5.078 -2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.823 5.621 -0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.003 6.875 -3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.707 7.732 -0.278 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.039 9.273 -4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.816 10.112 -0.994 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.453 10.893 -2.928 1.00 0.00 H new ATOM 399 N TYR A 24 -0.618 3.546 0.780 1.00 0.00 N ATOM 400 CA TYR A 24 -0.994 2.252 1.364 1.00 0.00 C ATOM 401 C TYR A 24 -2.352 2.372 2.064 1.00 0.00 C ATOM 402 O TYR A 24 -2.595 3.356 2.760 1.00 0.00 O ATOM 403 CB TYR A 24 0.070 1.741 2.356 1.00 0.00 C ATOM 404 CG TYR A 24 -0.112 2.158 3.814 1.00 0.00 C ATOM 405 CD1 TYR A 24 0.278 3.442 4.257 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.733 1.273 4.726 1.00 0.00 C ATOM 407 CE1 TYR A 24 0.217 3.767 5.628 1.00 0.00 C ATOM 408 CE2 TYR A 24 -0.899 1.644 6.075 1.00 0.00 C ATOM 409 CZ TYR A 24 -0.381 2.871 6.538 1.00 0.00 C ATOM 410 OH TYR A 24 -0.461 3.190 7.863 1.00 0.00 O ATOM 0 H TYR A 24 -0.891 4.331 1.372 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.063 1.527 0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.086 0.652 2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.047 2.088 2.020 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.624 4.176 3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.081 0.309 4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.628 4.701 5.981 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.423 0.988 6.755 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.524 4.163 7.962 1.00 0.00 H new ATOM 420 N TYR A 25 -3.206 1.346 1.935 1.00 0.00 N ATOM 421 CA TYR A 25 -4.531 1.320 2.542 1.00 0.00 C ATOM 422 C TYR A 25 -4.403 0.952 4.017 1.00 0.00 C ATOM 423 O TYR A 25 -4.069 -0.194 4.323 1.00 0.00 O ATOM 424 CB TYR A 25 -5.425 0.302 1.821 1.00 0.00 C ATOM 425 CG TYR A 25 -6.847 0.274 2.353 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.729 1.333 2.043 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.299 -0.805 3.148 1.00 0.00 C ATOM 428 CE1 TYR A 25 -9.074 1.273 2.456 1.00 0.00 C ATOM 429 CE2 TYR A 25 -8.646 -0.860 3.565 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.538 0.172 3.207 1.00 0.00 C ATOM 431 OH TYR A 25 -10.847 0.101 3.583 1.00 0.00 O ATOM 0 H TYR A 25 -2.987 0.506 1.400 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.987 2.306 2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.446 0.536 0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.987 -0.691 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.372 2.189 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.613 -1.587 3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.753 2.072 2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.994 -1.693 4.158 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.336 -0.474 2.958 1.00 0.00 H new ATOM 441 N ASN A 26 -4.662 1.906 4.930 1.00 0.00 N ATOM 442 CA ASN A 26 -4.579 1.626 6.352 1.00 0.00 C ATOM 443 C ASN A 26 -5.885 0.931 6.770 1.00 0.00 C ATOM 444 O ASN A 26 -6.951 1.540 6.722 1.00 0.00 O ATOM 445 CB ASN A 26 -4.334 2.940 7.106 1.00 0.00 C ATOM 446 CG ASN A 26 -4.206 2.710 8.613 1.00 0.00 C ATOM 447 OD1 ASN A 26 -5.182 2.847 9.346 1.00 0.00 O ATOM 448 ND2 ASN A 26 -3.011 2.345 9.082 1.00 0.00 N ATOM 0 H ASN A 26 -4.927 2.864 4.700 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.748 0.962 6.593 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.425 3.411 6.731 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.155 3.630 6.911 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.886 2.170 10.079 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.223 2.241 8.443 1.00 0.00 H new ATOM 455 N GLN A 27 -5.792 -0.343 7.175 1.00 0.00 N ATOM 456 CA GLN A 27 -6.877 -1.223 7.595 1.00 0.00 C ATOM 457 C GLN A 27 -7.371 -0.938 9.025 1.00 0.00 C ATOM 458 O GLN A 27 -7.629 -1.862 9.797 1.00 0.00 O ATOM 459 CB GLN A 27 -6.380 -2.673 7.438 1.00 0.00 C ATOM 460 CG GLN A 27 -6.022 -2.975 5.974 1.00 0.00 C ATOM 461 CD GLN A 27 -5.459 -4.387 5.788 1.00 0.00 C ATOM 462 OE1 GLN A 27 -4.335 -4.555 5.317 1.00 0.00 O ATOM 463 NE2 GLN A 27 -6.236 -5.410 6.155 1.00 0.00 N ATOM 0 H GLN A 27 -4.888 -0.814 7.219 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.748 -1.045 6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.507 -2.833 8.070 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.151 -3.365 7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.911 -2.857 5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.290 -2.247 5.624 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.163 -5.233 6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.902 -6.368 6.048 1.00 0.00 H new ATOM 472 N LYS A 28 -7.514 0.348 9.371 1.00 0.00 N ATOM 473 CA LYS A 28 -8.009 0.841 10.664 1.00 0.00 C ATOM 474 C LYS A 28 -8.792 2.138 10.430 1.00 0.00 C ATOM 475 O LYS A 28 -9.847 2.380 11.015 1.00 0.00 O ATOM 476 CB LYS A 28 -6.852 1.007 11.667 1.00 0.00 C ATOM 477 CG LYS A 28 -7.290 1.553 13.038 1.00 0.00 C ATOM 478 CD LYS A 28 -8.320 0.652 13.741 1.00 0.00 C ATOM 479 CE LYS A 28 -8.627 1.125 15.170 1.00 0.00 C ATOM 480 NZ LYS A 28 -9.302 2.435 15.192 1.00 0.00 N ATOM 0 H LYS A 28 -7.278 1.106 8.731 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.687 0.115 11.112 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.366 0.042 11.809 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.107 1.679 11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.414 1.661 13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.715 2.548 12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.242 0.636 13.160 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.944 -0.371 13.772 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.255 0.386 15.668 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.698 1.188 15.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.504 2.705 16.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.686 3.150 14.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.193 2.375 14.659 1.00 0.00 H new ATOM 494 N LYS A 29 -8.229 2.948 9.541 1.00 0.00 N ATOM 495 CA LYS A 29 -8.673 4.226 9.016 1.00 0.00 C ATOM 496 C LYS A 29 -9.664 4.044 7.915 1.00 0.00 C ATOM 497 O LYS A 29 -10.675 4.745 7.818 1.00 0.00 O ATOM 498 CB LYS A 29 -7.433 4.907 8.498 1.00 0.00 C ATOM 499 CG LYS A 29 -7.837 6.285 7.996 1.00 0.00 C ATOM 500 CD LYS A 29 -6.624 7.117 7.632 1.00 0.00 C ATOM 501 CE LYS A 29 -5.780 7.550 8.840 1.00 0.00 C ATOM 502 NZ LYS A 29 -4.679 8.440 8.437 1.00 0.00 N ATOM 0 H LYS A 29 -7.337 2.686 9.121 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.171 4.815 9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.685 4.991 9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.984 4.324 7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.484 6.182 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.416 6.799 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.996 6.546 6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.954 8.006 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.415 8.060 9.565 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.374 6.669 9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.181 8.781 9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.014 7.918 7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.063 9.251 7.911 1.00 0.00 H new ATOM 516 N LYS A 30 -9.280 3.114 7.060 1.00 0.00 N ATOM 517 CA LYS A 30 -10.047 2.699 5.937 1.00 0.00 C ATOM 518 C LYS A 30 -10.071 3.841 4.914 1.00 0.00 C ATOM 519 O LYS A 30 -11.110 4.414 4.590 1.00 0.00 O ATOM 520 CB LYS A 30 -11.371 2.198 6.549 1.00 0.00 C ATOM 521 CG LYS A 30 -11.240 0.701 6.879 1.00 0.00 C ATOM 522 CD LYS A 30 -12.558 -0.068 6.718 1.00 0.00 C ATOM 523 CE LYS A 30 -13.639 0.435 7.684 1.00 0.00 C ATOM 524 NZ LYS A 30 -14.880 -0.350 7.563 1.00 0.00 N ATOM 0 H LYS A 30 -8.392 2.620 7.146 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.660 1.876 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.605 2.763 7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.192 2.358 5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.485 0.257 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.885 0.591 7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.913 0.032 5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.382 -1.130 6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.269 0.377 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.850 1.485 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.589 0.017 8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.246 -0.274 6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.683 -1.347 7.781 1.00 0.00 H new ATOM 538 N GLN A 31 -8.852 4.139 4.439 1.00 0.00 N ATOM 539 CA GLN A 31 -8.447 5.149 3.472 1.00 0.00 C ATOM 540 C GLN A 31 -6.949 4.917 3.188 1.00 0.00 C ATOM 541 O GLN A 31 -6.248 4.288 3.996 1.00 0.00 O ATOM 542 CB GLN A 31 -8.717 6.555 4.045 1.00 0.00 C ATOM 543 CG GLN A 31 -8.389 7.684 3.060 1.00 0.00 C ATOM 544 CD GLN A 31 -8.817 9.051 3.599 1.00 0.00 C ATOM 545 OE1 GLN A 31 -7.981 9.846 4.024 1.00 0.00 O ATOM 546 NE2 GLN A 31 -10.124 9.331 3.584 1.00 0.00 N ATOM 0 H GLN A 31 -8.041 3.614 4.766 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.012 5.075 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.766 6.627 4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.127 6.690 4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.318 7.692 2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.890 7.495 2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.788 8.646 3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.457 10.230 3.933 1.00 0.00 H new ATOM 555 N CYS A 32 -6.442 5.410 2.044 1.00 0.00 N ATOM 556 CA CYS A 32 -5.050 5.231 1.696 1.00 0.00 C ATOM 557 C CYS A 32 -4.228 6.394 2.217 1.00 0.00 C ATOM 558 O CYS A 32 -4.420 7.536 1.796 1.00 0.00 O ATOM 559 CB CYS A 32 -4.879 5.107 0.183 1.00 0.00 C ATOM 560 SG CYS A 32 -3.738 3.859 -0.456 1.00 0.00 S ATOM 0 H CYS A 32 -6.986 5.932 1.357 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.698 4.309 2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.861 4.909 -0.247 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.555 6.077 -0.195 1.00 0.00 H new ATOM 565 N GLU A 33 -3.334 6.094 3.160 1.00 0.00 N ATOM 566 CA GLU A 33 -2.392 7.062 3.679 1.00 0.00 C ATOM 567 C GLU A 33 -1.239 6.996 2.678 1.00 0.00 C ATOM 568 O GLU A 33 -1.303 6.328 1.649 1.00 0.00 O ATOM 569 CB GLU A 33 -1.941 6.691 5.101 1.00 0.00 C ATOM 570 CG GLU A 33 -1.894 7.860 6.098 1.00 0.00 C ATOM 571 CD GLU A 33 -0.778 8.869 5.829 1.00 0.00 C ATOM 572 OE1 GLU A 33 0.398 8.453 5.922 1.00 0.00 O ATOM 573 OE2 GLU A 33 -1.114 10.034 5.520 1.00 0.00 O ATOM 0 H GLU A 33 -3.250 5.168 3.580 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.809 8.065 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.615 5.928 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.949 6.242 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.852 8.380 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.772 7.460 7.104 1.00 0.00 H new ATOM 580 N GLY A 34 -0.145 7.653 3.006 1.00 0.00 N ATOM 581 CA GLY A 34 1.024 7.662 2.130 1.00 0.00 C ATOM 582 C GLY A 34 2.112 6.749 2.673 1.00 0.00 C ATOM 583 O GLY A 34 2.197 6.581 3.893 1.00 0.00 O ATOM 0 H GLY A 34 -0.034 8.188 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.737 7.338 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.408 8.678 2.038 1.00 0.00 H new ATOM 587 N PHE A 35 2.942 6.154 1.795 1.00 0.00 N ATOM 588 CA PHE A 35 3.997 5.282 2.298 1.00 0.00 C ATOM 589 C PHE A 35 5.214 5.425 1.366 1.00 0.00 C ATOM 590 O PHE A 35 5.061 5.464 0.144 1.00 0.00 O ATOM 591 CB PHE A 35 3.498 3.822 2.421 1.00 0.00 C ATOM 592 CG PHE A 35 3.469 2.813 1.280 1.00 0.00 C ATOM 593 CD1 PHE A 35 3.194 3.157 -0.055 1.00 0.00 C ATOM 594 CD2 PHE A 35 3.758 1.463 1.593 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.275 2.171 -1.063 1.00 0.00 C ATOM 596 CE2 PHE A 35 3.964 0.512 0.575 1.00 0.00 C ATOM 597 CZ PHE A 35 3.728 0.871 -0.761 1.00 0.00 C ATOM 0 H PHE A 35 2.901 6.259 0.781 1.00 0.00 H new ATOM 0 HA PHE A 35 4.293 5.574 3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.096 3.366 3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.475 3.885 2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.922 4.171 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.821 1.158 2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.987 2.416 -2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.301 -0.485 0.820 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.893 0.155 -1.553 1.00 0.00 H new ATOM 607 N THR A 36 6.424 5.535 1.938 1.00 0.00 N ATOM 608 CA THR A 36 7.671 5.679 1.175 1.00 0.00 C ATOM 609 C THR A 36 8.248 4.279 1.007 1.00 0.00 C ATOM 610 O THR A 36 8.858 3.758 1.940 1.00 0.00 O ATOM 611 CB THR A 36 8.672 6.630 1.853 1.00 0.00 C ATOM 612 OG1 THR A 36 8.093 7.913 1.998 1.00 0.00 O ATOM 613 CG2 THR A 36 9.927 6.736 0.968 1.00 0.00 C ATOM 0 H THR A 36 6.564 5.526 2.948 1.00 0.00 H new ATOM 0 HA THR A 36 7.465 6.134 0.206 1.00 0.00 H new ATOM 0 HB THR A 36 8.936 6.245 2.838 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.734 8.514 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.647 7.408 1.436 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.374 5.749 0.851 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.650 7.127 -0.011 1.00 0.00 H new ATOM 621 N TRP A 37 8.104 3.700 -0.193 1.00 0.00 N ATOM 622 CA TRP A 37 8.546 2.335 -0.475 1.00 0.00 C ATOM 623 C TRP A 37 10.066 2.145 -0.434 1.00 0.00 C ATOM 624 O TRP A 37 10.794 2.973 -0.980 1.00 0.00 O ATOM 625 CB TRP A 37 8.029 1.995 -1.864 1.00 0.00 C ATOM 626 CG TRP A 37 8.340 0.656 -2.443 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.606 -0.464 -2.287 1.00 0.00 C ATOM 628 CD2 TRP A 37 9.425 0.303 -3.347 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.054 -1.424 -3.166 1.00 0.00 N ATOM 630 CE2 TRP A 37 9.108 -0.955 -3.936 1.00 0.00 C ATOM 631 CE3 TRP A 37 10.574 0.974 -3.830 1.00 0.00 C ATOM 632 CZ2 TRP A 37 9.815 -1.438 -5.056 1.00 0.00 C ATOM 633 CZ3 TRP A 37 11.361 0.425 -4.864 1.00 0.00 C ATOM 634 CH2 TRP A 37 10.957 -0.756 -5.510 1.00 0.00 C ATOM 0 H TRP A 37 7.677 4.168 -0.993 1.00 0.00 H new ATOM 0 HA TRP A 37 8.154 1.679 0.302 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.944 2.102 -1.847 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.413 2.748 -2.552 1.00 0.00 H new ATOM 0 HD1 TRP A 37 6.795 -0.588 -1.584 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.660 -2.362 -3.242 1.00 0.00 H new ATOM 0 HE3 TRP A 37 10.853 1.924 -3.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.480 -2.330 -5.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.277 0.914 -5.160 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.520 -1.137 -6.349 1.00 0.00 H new ATOM 645 N SER A 38 10.542 1.047 0.186 1.00 0.00 N ATOM 646 CA SER A 38 11.941 0.710 0.267 1.00 0.00 C ATOM 647 C SER A 38 12.431 0.193 -1.083 1.00 0.00 C ATOM 648 O SER A 38 12.772 1.024 -1.906 1.00 0.00 O ATOM 649 CB SER A 38 12.149 -0.316 1.381 1.00 0.00 C ATOM 650 OG SER A 38 11.268 -1.422 1.295 1.00 0.00 O ATOM 0 H SER A 38 9.936 0.368 0.648 1.00 0.00 H new ATOM 0 HA SER A 38 12.528 1.596 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.177 -0.676 1.347 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.014 0.173 2.346 1.00 0.00 H new ATOM 0 HG SER A 38 11.788 -2.250 1.228 1.00 0.00 H new ATOM 656 N GLY A 39 12.440 -1.127 -1.337 1.00 0.00 N ATOM 657 CA GLY A 39 12.938 -1.701 -2.586 1.00 0.00 C ATOM 658 C GLY A 39 12.583 -3.168 -2.842 1.00 0.00 C ATOM 659 O GLY A 39 12.425 -3.566 -3.996 1.00 0.00 O ATOM 0 H GLY A 39 12.099 -1.824 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.554 -1.106 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.024 -1.603 -2.600 1.00 0.00 H new ATOM 663 N CYS A 40 12.472 -3.969 -1.777 1.00 0.00 N ATOM 664 CA CYS A 40 12.183 -5.394 -1.802 1.00 0.00 C ATOM 665 C CYS A 40 11.566 -5.766 -0.448 1.00 0.00 C ATOM 666 O CYS A 40 12.202 -6.398 0.395 1.00 0.00 O ATOM 667 CB CYS A 40 13.470 -6.182 -2.146 1.00 0.00 C ATOM 668 SG CYS A 40 14.930 -6.089 -1.046 1.00 0.00 S ATOM 0 H CYS A 40 12.589 -3.615 -0.827 1.00 0.00 H new ATOM 0 HA CYS A 40 11.464 -5.655 -2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 40 13.193 -7.233 -2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 40 13.791 -5.860 -3.137 1.00 0.00 H new ATOM 673 N GLY A 41 10.308 -5.352 -0.249 1.00 0.00 N ATOM 674 CA GLY A 41 9.538 -5.576 0.962 1.00 0.00 C ATOM 675 C GLY A 41 9.237 -7.056 1.209 1.00 0.00 C ATOM 676 O GLY A 41 9.925 -7.715 1.989 1.00 0.00 O ATOM 0 H GLY A 41 9.788 -4.834 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.086 -5.174 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.600 -5.025 0.897 1.00 0.00 H new ATOM 680 N GLY A 42 8.193 -7.556 0.537 1.00 0.00 N ATOM 681 CA GLY A 42 7.703 -8.925 0.616 1.00 0.00 C ATOM 682 C GLY A 42 6.348 -8.997 -0.091 1.00 0.00 C ATOM 683 O GLY A 42 6.175 -9.769 -1.034 1.00 0.00 O ATOM 0 H GLY A 42 7.645 -6.984 -0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.411 -9.608 0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.604 -9.232 1.657 1.00 0.00 H new ATOM 687 N ASN A 43 5.396 -8.176 0.379 1.00 0.00 N ATOM 688 CA ASN A 43 4.039 -8.044 -0.150 1.00 0.00 C ATOM 689 C ASN A 43 3.975 -6.791 -1.042 1.00 0.00 C ATOM 690 O ASN A 43 5.006 -6.326 -1.533 1.00 0.00 O ATOM 691 CB ASN A 43 3.034 -7.941 1.013 1.00 0.00 C ATOM 692 CG ASN A 43 3.138 -9.077 2.038 1.00 0.00 C ATOM 693 OD1 ASN A 43 3.306 -8.831 3.230 1.00 0.00 O ATOM 694 ND2 ASN A 43 3.029 -10.326 1.578 1.00 0.00 N ATOM 0 H ASN A 43 5.564 -7.560 1.175 1.00 0.00 H new ATOM 0 HA ASN A 43 3.780 -8.920 -0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.184 -6.990 1.525 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.023 -7.927 0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.085 -11.114 2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.890 -10.492 0.581 1.00 0.00 H new ATOM 701 N SER A 44 2.767 -6.242 -1.259 1.00 0.00 N ATOM 702 CA SER A 44 2.555 -5.052 -2.062 1.00 0.00 C ATOM 703 C SER A 44 1.769 -4.013 -1.255 1.00 0.00 C ATOM 704 O SER A 44 2.389 -3.168 -0.607 1.00 0.00 O ATOM 705 CB SER A 44 1.858 -5.427 -3.380 1.00 0.00 C ATOM 706 OG SER A 44 2.673 -6.276 -4.161 1.00 0.00 O ATOM 0 H SER A 44 1.906 -6.627 -0.871 1.00 0.00 H new ATOM 0 HA SER A 44 3.513 -4.601 -2.322 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.911 -5.922 -3.166 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.625 -4.523 -3.942 1.00 0.00 H new ATOM 0 HG SER A 44 2.207 -6.502 -4.993 1.00 0.00 H new ATOM 712 N ASN A 45 0.421 -4.073 -1.281 1.00 0.00 N ATOM 713 CA ASN A 45 -0.485 -3.101 -0.640 1.00 0.00 C ATOM 714 C ASN A 45 -0.066 -1.656 -1.030 1.00 0.00 C ATOM 715 O ASN A 45 -0.246 -0.697 -0.284 1.00 0.00 O ATOM 716 CB ASN A 45 -0.625 -3.455 0.866 1.00 0.00 C ATOM 717 CG ASN A 45 -1.400 -2.480 1.770 1.00 0.00 C ATOM 718 OD1 ASN A 45 -1.016 -2.270 2.918 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.509 -1.902 1.303 1.00 0.00 N ATOM 0 H ASN A 45 -0.079 -4.820 -1.762 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.510 -3.156 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.107 -4.430 0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.378 -3.565 1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.049 -1.277 1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.816 -2.085 0.348 1.00 0.00 H new ATOM 726 N ARG A 46 0.543 -1.561 -2.226 1.00 0.00 N ATOM 727 CA ARG A 46 1.077 -0.431 -2.958 1.00 0.00 C ATOM 728 C ARG A 46 0.015 0.149 -3.889 1.00 0.00 C ATOM 729 O ARG A 46 -0.511 -0.582 -4.730 1.00 0.00 O ATOM 730 CB ARG A 46 2.286 -0.958 -3.746 1.00 0.00 C ATOM 731 CG ARG A 46 3.071 0.151 -4.466 1.00 0.00 C ATOM 732 CD ARG A 46 4.336 -0.388 -5.150 1.00 0.00 C ATOM 733 NE ARG A 46 4.034 -1.398 -6.177 1.00 0.00 N ATOM 734 CZ ARG A 46 3.524 -1.161 -7.400 1.00 0.00 C ATOM 735 NH1 ARG A 46 3.221 0.082 -7.805 1.00 0.00 N ATOM 736 NH2 ARG A 46 3.315 -2.190 -8.234 1.00 0.00 N ATOM 0 H ARG A 46 0.685 -2.413 -2.769 1.00 0.00 H new ATOM 0 HA ARG A 46 1.378 0.375 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.955 -1.483 -3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.943 -1.687 -4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.430 0.623 -5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.348 0.923 -3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.879 0.439 -5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.994 -0.824 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 46 4.230 -2.370 -5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.376 0.874 -7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.836 0.235 -8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.542 -3.140 -7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.929 -2.023 -9.163 1.00 0.00 H new ATOM 750 N PHE A 47 -0.276 1.450 -3.782 1.00 0.00 N ATOM 751 CA PHE A 47 -1.254 2.131 -4.588 1.00 0.00 C ATOM 752 C PHE A 47 -0.721 3.529 -4.926 1.00 0.00 C ATOM 753 O PHE A 47 -0.307 4.268 -4.037 1.00 0.00 O ATOM 754 CB PHE A 47 -2.522 2.151 -3.743 1.00 0.00 C ATOM 755 CG PHE A 47 -3.268 0.824 -3.787 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.981 0.449 -4.949 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.198 -0.069 -2.691 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.646 -0.794 -5.000 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.830 -1.328 -2.759 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.560 -1.688 -3.911 1.00 0.00 C ATOM 0 H PHE A 47 0.184 2.062 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.462 1.649 -5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.264 2.386 -2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.179 2.946 -4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.017 1.115 -5.798 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.659 0.215 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.222 -1.062 -5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.755 -2.016 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.053 -2.648 -3.960 1.00 0.00 H new ATOM 770 N LYS A 48 -0.734 3.883 -6.218 1.00 0.00 N ATOM 771 CA LYS A 48 -0.265 5.134 -6.782 1.00 0.00 C ATOM 772 C LYS A 48 -1.104 6.338 -6.349 1.00 0.00 C ATOM 773 O LYS A 48 -0.536 7.374 -6.010 1.00 0.00 O ATOM 774 CB LYS A 48 -0.295 4.970 -8.309 1.00 0.00 C ATOM 775 CG LYS A 48 0.787 4.029 -8.870 1.00 0.00 C ATOM 776 CD LYS A 48 2.210 4.598 -8.736 1.00 0.00 C ATOM 777 CE LYS A 48 3.271 3.655 -9.322 1.00 0.00 C ATOM 778 NZ LYS A 48 3.141 3.495 -10.781 1.00 0.00 N ATOM 0 H LYS A 48 -1.098 3.255 -6.935 1.00 0.00 H new ATOM 0 HA LYS A 48 0.742 5.340 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.275 4.593 -8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.180 5.951 -8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.734 3.073 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.579 3.831 -9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.263 5.561 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.429 4.779 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.263 4.041 -9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.188 2.679 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.956 2.962 -11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.264 2.979 -10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.111 4.432 -11.232 1.00 0.00 H new ATOM 792 N THR A 49 -2.436 6.218 -6.407 1.00 0.00 N ATOM 793 CA THR A 49 -3.371 7.272 -6.009 1.00 0.00 C ATOM 794 C THR A 49 -4.397 6.686 -5.025 1.00 0.00 C ATOM 795 O THR A 49 -4.726 5.501 -5.072 1.00 0.00 O ATOM 796 CB THR A 49 -4.031 7.926 -7.245 1.00 0.00 C ATOM 797 OG1 THR A 49 -4.395 6.972 -8.221 1.00 0.00 O ATOM 798 CG2 THR A 49 -3.085 8.948 -7.892 1.00 0.00 C ATOM 0 H THR A 49 -2.900 5.372 -6.737 1.00 0.00 H new ATOM 0 HA THR A 49 -2.834 8.072 -5.500 1.00 0.00 H new ATOM 0 HB THR A 49 -4.932 8.423 -6.886 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.296 7.169 -8.551 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.571 9.395 -8.759 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.843 9.728 -7.170 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.169 8.448 -8.207 1.00 0.00 H new ATOM 806 N ILE A 50 -4.893 7.544 -4.123 1.00 0.00 N ATOM 807 CA ILE A 50 -5.864 7.235 -3.071 1.00 0.00 C ATOM 808 C ILE A 50 -7.224 6.750 -3.591 1.00 0.00 C ATOM 809 O ILE A 50 -7.943 6.046 -2.885 1.00 0.00 O ATOM 810 CB ILE A 50 -6.021 8.485 -2.167 1.00 0.00 C ATOM 811 CG1 ILE A 50 -6.889 8.206 -0.922 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.637 9.663 -2.946 1.00 0.00 C ATOM 813 CD1 ILE A 50 -6.803 9.341 0.107 1.00 0.00 C ATOM 0 H ILE A 50 -4.611 8.524 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.474 6.392 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.015 8.745 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.927 8.071 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.569 7.272 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.735 10.525 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.992 9.921 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.621 9.378 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.430 9.101 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.770 9.459 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.149 10.270 -0.346 1.00 0.00 H new ATOM 825 N GLU A 51 -7.563 7.098 -4.833 1.00 0.00 N ATOM 826 CA GLU A 51 -8.826 6.743 -5.467 1.00 0.00 C ATOM 827 C GLU A 51 -8.769 5.296 -5.899 1.00 0.00 C ATOM 828 O GLU A 51 -9.650 4.502 -5.604 1.00 0.00 O ATOM 829 CB GLU A 51 -9.074 7.686 -6.654 1.00 0.00 C ATOM 830 CG GLU A 51 -9.052 9.157 -6.215 1.00 0.00 C ATOM 831 CD GLU A 51 -9.658 10.074 -7.278 1.00 0.00 C ATOM 832 OE1 GLU A 51 -8.939 10.363 -8.260 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.832 10.466 -7.097 1.00 0.00 O ATOM 0 H GLU A 51 -6.951 7.647 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.657 6.855 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.313 7.521 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.037 7.455 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.605 9.267 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.025 9.462 -6.015 1.00 0.00 H new ATOM 840 N GLU A 52 -7.688 5.012 -6.604 1.00 0.00 N ATOM 841 CA GLU A 52 -7.235 3.739 -7.133 1.00 0.00 C ATOM 842 C GLU A 52 -7.049 2.731 -5.989 1.00 0.00 C ATOM 843 O GLU A 52 -7.242 1.529 -6.174 1.00 0.00 O ATOM 844 CB GLU A 52 -5.922 4.046 -7.881 1.00 0.00 C ATOM 845 CG GLU A 52 -6.159 4.292 -9.381 1.00 0.00 C ATOM 846 CD GLU A 52 -7.157 5.423 -9.661 1.00 0.00 C ATOM 847 OE1 GLU A 52 -8.373 5.127 -9.675 1.00 0.00 O ATOM 848 OE2 GLU A 52 -6.694 6.567 -9.859 1.00 0.00 O ATOM 0 H GLU A 52 -7.032 5.754 -6.847 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.954 3.282 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.450 4.924 -7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.229 3.214 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.208 4.530 -9.858 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.524 3.373 -9.839 1.00 0.00 H new ATOM 855 N CYS A 53 -6.672 3.233 -4.807 1.00 0.00 N ATOM 856 CA CYS A 53 -6.499 2.473 -3.586 1.00 0.00 C ATOM 857 C CYS A 53 -7.883 2.106 -3.069 1.00 0.00 C ATOM 858 O CYS A 53 -8.177 0.930 -2.860 1.00 0.00 O ATOM 859 CB CYS A 53 -5.761 3.334 -2.567 1.00 0.00 C ATOM 860 SG CYS A 53 -4.989 2.439 -1.198 1.00 0.00 S ATOM 0 H CYS A 53 -6.473 4.225 -4.681 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.918 1.568 -3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.989 3.900 -3.088 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.463 4.058 -2.154 1.00 0.00 H new ATOM 865 N ARG A 54 -8.731 3.130 -2.886 1.00 0.00 N ATOM 866 CA ARG A 54 -10.095 2.926 -2.404 1.00 0.00 C ATOM 867 C ARG A 54 -10.953 2.102 -3.389 1.00 0.00 C ATOM 868 O ARG A 54 -11.825 1.360 -2.948 1.00 0.00 O ATOM 869 CB ARG A 54 -10.731 4.280 -2.081 1.00 0.00 C ATOM 870 CG ARG A 54 -10.112 4.857 -0.789 1.00 0.00 C ATOM 871 CD ARG A 54 -10.919 6.040 -0.253 1.00 0.00 C ATOM 872 NE ARG A 54 -10.769 7.210 -1.134 1.00 0.00 N ATOM 873 CZ ARG A 54 -10.764 8.505 -0.768 1.00 0.00 C ATOM 874 NH1 ARG A 54 -10.952 8.878 0.507 1.00 0.00 N ATOM 875 NH2 ARG A 54 -10.563 9.443 -1.704 1.00 0.00 N ATOM 0 H ARG A 54 -8.491 4.105 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.050 2.333 -1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.576 4.971 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.808 4.166 -1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.062 4.077 -0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.088 5.175 -0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.971 5.766 -0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.583 6.290 0.753 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.657 7.018 -2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.104 8.172 1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.943 9.867 0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.417 9.170 -2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.556 10.429 -1.444 1.00 0.00 H new ATOM 889 N ARG A 55 -10.717 2.184 -4.706 1.00 0.00 N ATOM 890 CA ARG A 55 -11.449 1.442 -5.735 1.00 0.00 C ATOM 891 C ARG A 55 -11.501 -0.070 -5.466 1.00 0.00 C ATOM 892 O ARG A 55 -12.488 -0.733 -5.782 1.00 0.00 O ATOM 893 CB ARG A 55 -10.723 1.677 -7.067 1.00 0.00 C ATOM 894 CG ARG A 55 -11.210 2.953 -7.774 1.00 0.00 C ATOM 895 CD ARG A 55 -12.312 2.666 -8.802 1.00 0.00 C ATOM 896 NE ARG A 55 -11.813 1.850 -9.919 1.00 0.00 N ATOM 897 CZ ARG A 55 -11.063 2.284 -10.950 1.00 0.00 C ATOM 898 NH1 ARG A 55 -10.722 3.576 -11.074 1.00 0.00 N ATOM 899 NH2 ARG A 55 -10.646 1.404 -11.871 1.00 0.00 N ATOM 0 H ARG A 55 -9.990 2.786 -5.093 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.479 1.798 -5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.650 1.750 -6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.879 0.819 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.584 3.657 -7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.368 3.433 -8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.139 2.149 -8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.706 3.607 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.059 0.860 -9.912 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.032 4.254 -10.378 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.153 3.880 -11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.897 0.419 -11.786 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.077 1.719 -12.657 1.00 0.00 H new ATOM 913 N THR A 56 -10.411 -0.586 -4.895 1.00 0.00 N ATOM 914 CA THR A 56 -10.183 -1.979 -4.555 1.00 0.00 C ATOM 915 C THR A 56 -10.433 -2.220 -3.063 1.00 0.00 C ATOM 916 O THR A 56 -11.326 -2.972 -2.691 1.00 0.00 O ATOM 917 CB THR A 56 -8.725 -2.391 -4.903 1.00 0.00 C ATOM 918 OG1 THR A 56 -7.785 -1.496 -4.335 1.00 0.00 O ATOM 919 CG2 THR A 56 -8.440 -2.464 -6.409 1.00 0.00 C ATOM 0 H THR A 56 -9.616 0.002 -4.644 1.00 0.00 H new ATOM 0 HA THR A 56 -10.879 -2.584 -5.136 1.00 0.00 H new ATOM 0 HB THR A 56 -8.621 -3.391 -4.483 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.877 -1.816 -4.517 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.403 -2.758 -6.569 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.100 -3.199 -6.869 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.614 -1.487 -6.860 1.00 0.00 H new ATOM 927 N CYS A 57 -9.672 -1.548 -2.196 1.00 0.00 N ATOM 928 CA CYS A 57 -9.680 -1.721 -0.772 1.00 0.00 C ATOM 929 C CYS A 57 -10.916 -1.236 -0.042 1.00 0.00 C ATOM 930 O CYS A 57 -11.165 -1.724 1.062 1.00 0.00 O ATOM 931 CB CYS A 57 -8.417 -1.037 -0.248 1.00 0.00 C ATOM 932 SG CYS A 57 -6.817 -1.497 -0.991 1.00 0.00 S ATOM 0 H CYS A 57 -9.006 -0.837 -2.500 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.699 -2.792 -0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.545 0.038 -0.372 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.354 -1.229 0.823 1.00 0.00 H new ATOM 937 N ILE A 58 -11.687 -0.313 -0.631 1.00 0.00 N ATOM 938 CA ILE A 58 -12.887 0.174 0.071 1.00 0.00 C ATOM 939 C ILE A 58 -14.112 -0.720 -0.146 1.00 0.00 C ATOM 940 O ILE A 58 -14.880 -0.960 0.785 1.00 0.00 O ATOM 941 CB ILE A 58 -13.241 1.655 -0.174 1.00 0.00 C ATOM 942 CG1 ILE A 58 -12.178 2.581 0.436 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.587 2.026 0.475 1.00 0.00 C ATOM 944 CD1 ILE A 58 -12.240 2.856 1.935 1.00 0.00 C ATOM 0 H ILE A 58 -11.516 0.098 -1.549 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.597 0.112 1.120 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.293 1.784 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.199 2.156 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.234 3.539 -0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.806 3.076 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -15.378 1.407 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.531 1.858 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.427 3.525 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.194 3.322 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.144 1.918 2.481 1.00 0.00 H new ATOM 956 N ARG A 59 -14.285 -1.190 -1.380 1.00 0.00 N ATOM 957 CA ARG A 59 -15.388 -2.015 -1.846 1.00 0.00 C ATOM 958 C ARG A 59 -16.664 -1.153 -1.873 1.00 0.00 C ATOM 959 O ARG A 59 -16.741 -0.204 -2.655 1.00 0.00 O ATOM 960 CB ARG A 59 -15.482 -3.321 -1.033 1.00 0.00 C ATOM 961 CG ARG A 59 -16.289 -4.329 -1.859 1.00 0.00 C ATOM 962 CD ARG A 59 -16.766 -5.496 -0.997 1.00 0.00 C ATOM 963 NE ARG A 59 -17.411 -6.535 -1.814 1.00 0.00 N ATOM 964 CZ ARG A 59 -17.644 -7.805 -1.432 1.00 0.00 C ATOM 965 NH1 ARG A 59 -17.304 -8.241 -0.208 1.00 0.00 N ATOM 966 NH2 ARG A 59 -18.229 -8.652 -2.290 1.00 0.00 N ATOM 0 H ARG A 59 -13.616 -0.990 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 59 -15.227 -2.359 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.487 -3.711 -0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.965 -3.140 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.148 -3.830 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.676 -4.705 -2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.919 -5.925 -0.461 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.468 -5.133 -0.246 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.708 -6.270 -2.753 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.859 -7.606 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.490 -9.208 0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.493 -8.332 -3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.410 -9.616 -2.011 1.00 0.00 H new ATOM 980 N LYS A 60 -17.651 -1.468 -1.025 1.00 0.00 N ATOM 981 CA LYS A 60 -18.923 -0.762 -0.906 1.00 0.00 C ATOM 982 C LYS A 60 -18.708 0.503 -0.063 1.00 0.00 C ATOM 983 O LYS A 60 -18.837 1.605 -0.641 1.00 0.00 O ATOM 984 CB LYS A 60 -19.979 -1.684 -0.263 1.00 0.00 C ATOM 985 CG LYS A 60 -20.315 -2.895 -1.151 1.00 0.00 C ATOM 986 CD LYS A 60 -21.260 -3.898 -0.467 1.00 0.00 C ATOM 987 CE LYS A 60 -22.653 -3.315 -0.185 1.00 0.00 C ATOM 988 NZ LYS A 60 -23.568 -4.339 0.350 1.00 0.00 N ATOM 989 OXT LYS A 60 -18.406 0.352 1.142 1.00 0.00 O ATOM 0 H LYS A 60 -17.578 -2.254 -0.379 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.287 -0.475 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -19.613 -2.034 0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.888 -1.114 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.774 -2.544 -2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -19.391 -3.404 -1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -21.363 -4.780 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -20.814 -4.228 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.568 -2.494 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -23.067 -2.899 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -24.499 -3.913 0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -23.668 -5.110 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -23.184 -4.718 1.239 1.00 0.00 H new