USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 375 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 Single : A 1 GLY N :NH3+ -102:sc= 0.0657 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.68 K(o=-1.7,f=-8.8!) USER MOD Single : A 8 THR OG1 : rot 89:sc= 0.0218 USER MOD Single : A 9 SER OG : rot 180:sc= 0.109 USER MOD Single : A 12 SER OG : rot -123:sc= -0.295 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.503 K(o=-0.5,f=-4.7!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.1) USER MOD Single : B 1 PHE N :NH3+ -143:sc= 0.74 (180deg=0.064) USER MOD Single : B 3 ASN : amide:sc= 0.0942 K(o=0.094,f=-1.1) USER MOD Single : B 4 GLN : amide:sc= -0.706 K(o=-0.71,f=-6!) USER MOD Single : B 5 HIS : no HE2:sc= -1.02 X(o=-1,f=-1.2) USER MOD Single : B 9 SER OG : rot 90:sc= 0.448 USER MOD Single : B 10 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.79) USER MOD Single : B 16 TYR OH : rot -77:sc= 0.143 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= -1.65 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.275 -3.010 16.737 1.00 0.00 N ATOM 2 CA GLY A 1 -2.189 -2.466 15.350 1.00 0.00 C ATOM 3 C GLY A 1 -3.507 -1.801 14.923 1.00 0.00 C ATOM 4 O GLY A 1 -4.501 -1.880 15.619 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.792 -2.364 17.394 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.274 -3.102 17.013 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.819 -3.944 16.772 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.378 -1.739 15.293 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.945 -3.271 14.657 1.00 0.00 H new ATOM 10 N ILE A 2 -3.457 -1.166 13.778 1.00 0.00 N ATOM 11 CA ILE A 2 -4.650 -0.461 13.210 1.00 0.00 C ATOM 12 C ILE A 2 -5.251 -1.191 11.995 1.00 0.00 C ATOM 13 O ILE A 2 -6.426 -1.508 11.996 1.00 0.00 O ATOM 14 CB ILE A 2 -4.242 1.021 12.812 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.697 1.299 12.655 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.784 1.976 13.898 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.015 0.512 11.516 1.00 0.00 C ATOM 0 H ILE A 2 -2.619 -1.105 13.199 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.422 -0.448 13.979 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.672 1.182 11.823 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.549 2.365 12.482 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.200 1.057 13.594 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.516 3.002 13.647 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.869 1.887 13.952 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.350 1.714 14.863 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.955 0.766 11.482 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.127 -0.557 11.695 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.481 0.771 10.565 1.00 0.00 H new ATOM 29 N VAL A 3 -4.414 -1.413 11.011 1.00 0.00 N ATOM 30 CA VAL A 3 -4.748 -2.109 9.720 1.00 0.00 C ATOM 31 C VAL A 3 -5.955 -3.068 9.808 1.00 0.00 C ATOM 32 O VAL A 3 -6.784 -3.069 8.922 1.00 0.00 O ATOM 33 CB VAL A 3 -3.414 -2.808 9.274 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.396 -4.340 9.508 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.163 -2.485 7.787 1.00 0.00 C ATOM 0 H VAL A 3 -3.439 -1.117 11.055 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.091 -1.394 8.972 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.615 -2.412 9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.442 -4.748 9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.528 -4.547 10.570 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.206 -4.804 8.944 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.239 -2.964 7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.995 -2.857 7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.077 -1.406 7.658 1.00 0.00 H new ATOM 45 N GLU A 4 -5.984 -3.835 10.875 1.00 0.00 N ATOM 46 CA GLU A 4 -7.061 -4.846 11.186 1.00 0.00 C ATOM 47 C GLU A 4 -8.386 -4.589 10.458 1.00 0.00 C ATOM 48 O GLU A 4 -8.871 -5.454 9.770 1.00 0.00 O ATOM 49 CB GLU A 4 -7.263 -4.828 12.720 1.00 0.00 C ATOM 50 CG GLU A 4 -8.323 -5.869 13.144 1.00 0.00 C ATOM 51 CD GLU A 4 -8.500 -5.853 14.672 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.533 -6.187 15.341 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.595 -5.507 15.087 1.00 0.00 O ATOM 0 H GLU A 4 -5.257 -3.799 11.590 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.737 -5.823 10.828 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.317 -5.041 13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.575 -3.833 13.039 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.274 -5.650 12.658 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.019 -6.863 12.816 1.00 0.00 H new ATOM 60 N GLN A 5 -8.917 -3.409 10.637 1.00 0.00 N ATOM 61 CA GLN A 5 -10.209 -2.959 10.016 1.00 0.00 C ATOM 62 C GLN A 5 -10.371 -3.546 8.604 1.00 0.00 C ATOM 63 O GLN A 5 -11.322 -4.237 8.312 1.00 0.00 O ATOM 64 CB GLN A 5 -10.186 -1.402 10.001 1.00 0.00 C ATOM 65 CG GLN A 5 -11.599 -0.779 9.823 1.00 0.00 C ATOM 66 CD GLN A 5 -12.109 -0.801 8.372 1.00 0.00 C ATOM 67 OE1 GLN A 5 -12.350 -1.830 7.777 1.00 0.00 O ATOM 68 NE2 GLN A 5 -12.292 0.337 7.760 1.00 0.00 N ATOM 0 H GLN A 5 -8.484 -2.695 11.223 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.066 -3.314 10.589 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.750 -1.041 10.932 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.539 -1.061 9.193 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -12.305 -1.317 10.455 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.578 0.252 10.175 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.095 1.213 8.243 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.632 0.350 6.798 1.00 0.00 H new ATOM 77 N CYS A 6 -9.400 -3.227 7.792 1.00 0.00 N ATOM 78 CA CYS A 6 -9.292 -3.653 6.359 1.00 0.00 C ATOM 79 C CYS A 6 -9.637 -5.117 6.034 1.00 0.00 C ATOM 80 O CYS A 6 -9.950 -5.430 4.901 1.00 0.00 O ATOM 81 CB CYS A 6 -7.873 -3.345 5.929 1.00 0.00 C ATOM 82 SG CYS A 6 -7.320 -1.668 6.313 1.00 0.00 S ATOM 0 H CYS A 6 -8.618 -2.643 8.088 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.055 -3.101 5.810 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -7.199 -4.055 6.409 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.790 -3.504 4.854 1.00 0.00 H new ATOM 87 N CYS A 7 -9.556 -5.959 7.033 1.00 0.00 N ATOM 88 CA CYS A 7 -9.862 -7.425 6.868 1.00 0.00 C ATOM 89 C CYS A 7 -11.050 -7.764 7.775 1.00 0.00 C ATOM 90 O CYS A 7 -11.913 -8.559 7.457 1.00 0.00 O ATOM 91 CB CYS A 7 -8.649 -8.272 7.294 1.00 0.00 C ATOM 92 SG CYS A 7 -8.862 -10.069 7.190 1.00 0.00 S ATOM 0 H CYS A 7 -9.285 -5.692 7.979 1.00 0.00 H new ATOM 0 HA CYS A 7 -10.092 -7.640 5.825 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.798 -7.990 6.674 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.394 -8.015 8.322 1.00 0.00 H new ATOM 97 N THR A 8 -11.004 -7.103 8.897 1.00 0.00 N ATOM 98 CA THR A 8 -12.001 -7.195 10.002 1.00 0.00 C ATOM 99 C THR A 8 -12.959 -6.019 9.714 1.00 0.00 C ATOM 100 O THR A 8 -13.171 -5.160 10.547 1.00 0.00 O ATOM 101 CB THR A 8 -11.196 -7.015 11.300 1.00 0.00 C ATOM 102 OG1 THR A 8 -10.111 -7.929 11.204 1.00 0.00 O ATOM 103 CG2 THR A 8 -11.938 -7.469 12.535 1.00 0.00 C ATOM 0 H THR A 8 -10.250 -6.449 9.106 1.00 0.00 H new ATOM 0 HA THR A 8 -12.565 -8.124 10.085 1.00 0.00 H new ATOM 0 HB THR A 8 -10.945 -5.958 11.394 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.357 -7.496 10.752 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.312 -7.313 13.413 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.858 -6.894 12.639 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.180 -8.528 12.445 1.00 0.00 H new ATOM 111 N SER A 9 -13.483 -6.074 8.509 1.00 0.00 N ATOM 112 CA SER A 9 -14.444 -5.099 7.875 1.00 0.00 C ATOM 113 C SER A 9 -13.641 -4.622 6.636 1.00 0.00 C ATOM 114 O SER A 9 -12.643 -5.231 6.304 1.00 0.00 O ATOM 115 CB SER A 9 -14.760 -3.864 8.799 1.00 0.00 C ATOM 116 OG SER A 9 -15.719 -3.092 8.086 1.00 0.00 O ATOM 0 H SER A 9 -13.255 -6.840 7.875 1.00 0.00 H new ATOM 0 HA SER A 9 -15.413 -5.552 7.663 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.154 -4.186 9.763 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.860 -3.283 9.000 1.00 0.00 H new ATOM 0 HG SER A 9 -15.961 -2.302 8.614 1.00 0.00 H new ATOM 122 N ILE A 10 -14.055 -3.574 5.970 1.00 0.00 N ATOM 123 CA ILE A 10 -13.291 -3.099 4.767 1.00 0.00 C ATOM 124 C ILE A 10 -12.845 -1.634 4.886 1.00 0.00 C ATOM 125 O ILE A 10 -13.587 -0.782 5.333 1.00 0.00 O ATOM 126 CB ILE A 10 -14.209 -3.331 3.533 1.00 0.00 C ATOM 127 CG1 ILE A 10 -14.285 -4.877 3.310 1.00 0.00 C ATOM 128 CG2 ILE A 10 -13.639 -2.632 2.275 1.00 0.00 C ATOM 129 CD1 ILE A 10 -15.234 -5.251 2.159 1.00 0.00 C ATOM 0 H ILE A 10 -14.884 -3.027 6.202 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.362 -3.660 4.669 1.00 0.00 H new ATOM 0 HB ILE A 10 -15.199 -2.909 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.288 -5.261 3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.622 -5.359 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.301 -2.811 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.564 -1.560 2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.650 -3.032 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.254 -6.334 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.238 -4.892 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.883 -4.792 1.235 1.00 0.00 H new ATOM 141 N CYS A 11 -11.621 -1.415 4.466 1.00 0.00 N ATOM 142 CA CYS A 11 -10.989 -0.056 4.491 1.00 0.00 C ATOM 143 C CYS A 11 -10.449 0.249 3.075 1.00 0.00 C ATOM 144 O CYS A 11 -10.863 -0.355 2.104 1.00 0.00 O ATOM 145 CB CYS A 11 -9.809 -0.026 5.493 1.00 0.00 C ATOM 146 SG CYS A 11 -8.195 -0.565 4.869 1.00 0.00 S ATOM 0 H CYS A 11 -11.015 -2.147 4.095 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.729 0.684 4.797 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.706 0.993 5.867 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.071 -0.653 6.345 1.00 0.00 H new ATOM 151 N SER A 12 -9.533 1.186 3.018 1.00 0.00 N ATOM 152 CA SER A 12 -8.886 1.620 1.745 1.00 0.00 C ATOM 153 C SER A 12 -7.379 1.385 1.920 1.00 0.00 C ATOM 154 O SER A 12 -6.932 0.976 2.975 1.00 0.00 O ATOM 155 CB SER A 12 -9.141 3.113 1.525 1.00 0.00 C ATOM 156 OG SER A 12 -8.462 3.731 2.617 1.00 0.00 O ATOM 0 H SER A 12 -9.196 1.687 3.840 1.00 0.00 H new ATOM 0 HA SER A 12 -9.281 1.069 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.748 3.450 0.566 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.206 3.344 1.532 1.00 0.00 H new ATOM 0 HG SER A 12 -9.093 4.285 3.123 1.00 0.00 H new ATOM 162 N LEU A 13 -6.638 1.659 0.882 1.00 0.00 N ATOM 163 CA LEU A 13 -5.160 1.473 0.969 1.00 0.00 C ATOM 164 C LEU A 13 -4.548 2.880 1.051 1.00 0.00 C ATOM 165 O LEU A 13 -3.493 3.173 0.521 1.00 0.00 O ATOM 166 CB LEU A 13 -4.620 0.659 -0.287 1.00 0.00 C ATOM 167 CG LEU A 13 -5.093 1.036 -1.729 1.00 0.00 C ATOM 168 CD1 LEU A 13 -6.552 0.595 -1.990 1.00 0.00 C ATOM 169 CD2 LEU A 13 -4.922 2.542 -2.023 1.00 0.00 C ATOM 0 H LEU A 13 -6.986 2.000 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.881 0.889 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.532 0.729 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.874 -0.389 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.447 0.489 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.841 0.876 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.631 -0.486 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.213 1.084 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.264 2.756 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.511 3.121 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.871 2.814 -1.930 1.00 0.00 H new ATOM 181 N TYR A 14 -5.300 3.697 1.755 1.00 0.00 N ATOM 182 CA TYR A 14 -4.980 5.128 2.030 1.00 0.00 C ATOM 183 C TYR A 14 -4.572 5.111 3.510 1.00 0.00 C ATOM 184 O TYR A 14 -3.616 5.739 3.915 1.00 0.00 O ATOM 185 CB TYR A 14 -6.234 5.997 1.822 1.00 0.00 C ATOM 186 CG TYR A 14 -5.914 7.475 2.134 1.00 0.00 C ATOM 187 CD1 TYR A 14 -5.734 7.903 3.438 1.00 0.00 C ATOM 188 CD2 TYR A 14 -5.799 8.400 1.114 1.00 0.00 C ATOM 189 CE1 TYR A 14 -5.446 9.221 3.715 1.00 0.00 C ATOM 190 CE2 TYR A 14 -5.511 9.722 1.394 1.00 0.00 C ATOM 191 CZ TYR A 14 -5.332 10.143 2.697 1.00 0.00 C ATOM 192 OH TYR A 14 -5.043 11.463 2.982 1.00 0.00 O ATOM 0 H TYR A 14 -6.181 3.400 2.175 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.209 5.538 1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.585 5.902 0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.039 5.647 2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.820 7.194 4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.935 8.087 0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.308 9.535 4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.425 10.433 0.586 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.998 11.975 2.148 1.00 0.00 H new ATOM 202 N GLN A 15 -5.339 4.391 4.291 1.00 0.00 N ATOM 203 CA GLN A 15 -5.046 4.281 5.760 1.00 0.00 C ATOM 204 C GLN A 15 -3.539 3.953 5.910 1.00 0.00 C ATOM 205 O GLN A 15 -2.769 4.741 6.432 1.00 0.00 O ATOM 206 CB GLN A 15 -5.935 3.150 6.358 1.00 0.00 C ATOM 207 CG GLN A 15 -7.390 3.165 5.792 1.00 0.00 C ATOM 208 CD GLN A 15 -8.075 4.538 5.919 1.00 0.00 C ATOM 209 OE1 GLN A 15 -7.655 5.522 5.342 1.00 0.00 O ATOM 210 NE2 GLN A 15 -9.140 4.645 6.665 1.00 0.00 N ATOM 0 H GLN A 15 -6.159 3.872 3.976 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.267 5.206 6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.477 2.184 6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.970 3.256 7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.368 2.873 4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.985 2.419 6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.504 3.828 7.155 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.609 5.546 6.758 1.00 0.00 H new ATOM 219 N LEU A 16 -3.154 2.794 5.430 1.00 0.00 N ATOM 220 CA LEU A 16 -1.717 2.388 5.517 1.00 0.00 C ATOM 221 C LEU A 16 -0.931 2.826 4.261 1.00 0.00 C ATOM 222 O LEU A 16 -0.190 2.097 3.632 1.00 0.00 O ATOM 223 CB LEU A 16 -1.694 0.822 5.746 1.00 0.00 C ATOM 224 CG LEU A 16 -0.350 0.218 6.398 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.972 0.811 5.866 1.00 0.00 C ATOM 226 CD2 LEU A 16 -0.305 -0.037 7.940 1.00 0.00 C ATOM 0 H LEU A 16 -3.771 2.115 4.984 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.217 2.885 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.535 0.557 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.859 0.333 4.786 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.437 -0.792 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.813 0.335 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.045 0.633 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.993 1.884 6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.669 -0.444 8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.467 0.902 8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.085 -0.747 8.214 1.00 0.00 H new ATOM 238 N GLU A 17 -1.179 4.073 3.960 1.00 0.00 N ATOM 239 CA GLU A 17 -0.566 4.821 2.818 1.00 0.00 C ATOM 240 C GLU A 17 0.284 5.864 3.564 1.00 0.00 C ATOM 241 O GLU A 17 1.332 6.276 3.111 1.00 0.00 O ATOM 242 CB GLU A 17 -1.640 5.506 1.995 1.00 0.00 C ATOM 243 CG GLU A 17 -1.104 6.075 0.677 1.00 0.00 C ATOM 244 CD GLU A 17 -2.279 6.703 -0.096 1.00 0.00 C ATOM 245 OE1 GLU A 17 -2.798 7.694 0.393 1.00 0.00 O ATOM 246 OE2 GLU A 17 -2.597 6.151 -1.138 1.00 0.00 O ATOM 0 H GLU A 17 -1.830 4.643 4.501 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.007 4.198 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.437 4.794 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.082 6.312 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.335 6.823 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.639 5.287 0.085 1.00 0.00 H new ATOM 253 N ASN A 18 -0.254 6.244 4.706 1.00 0.00 N ATOM 254 CA ASN A 18 0.369 7.239 5.624 1.00 0.00 C ATOM 255 C ASN A 18 1.275 6.454 6.571 1.00 0.00 C ATOM 256 O ASN A 18 2.428 6.801 6.741 1.00 0.00 O ATOM 257 CB ASN A 18 -0.730 7.957 6.420 1.00 0.00 C ATOM 258 CG ASN A 18 -0.083 8.940 7.403 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.501 9.934 7.019 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.161 8.692 8.681 1.00 0.00 N ATOM 0 H ASN A 18 -1.144 5.881 5.046 1.00 0.00 H new ATOM 0 HA ASN A 18 0.938 7.989 5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.398 8.489 5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.337 7.231 6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.267 9.331 9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.650 7.859 9.010 1.00 0.00 H new ATOM 267 N TYR A 19 0.694 5.431 7.154 1.00 0.00 N ATOM 268 CA TYR A 19 1.429 4.530 8.115 1.00 0.00 C ATOM 269 C TYR A 19 2.857 4.247 7.570 1.00 0.00 C ATOM 270 O TYR A 19 3.790 4.142 8.343 1.00 0.00 O ATOM 271 CB TYR A 19 0.598 3.223 8.280 1.00 0.00 C ATOM 272 CG TYR A 19 -0.780 3.473 8.959 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.023 4.420 9.942 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.851 2.722 8.536 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.306 4.580 10.450 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.098 2.868 9.012 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.358 3.803 9.987 1.00 0.00 C ATOM 278 OH TYR A 19 -4.634 3.959 10.488 1.00 0.00 O ATOM 0 H TYR A 19 -0.281 5.173 7.003 1.00 0.00 H new ATOM 0 HA TYR A 19 1.542 5.000 9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.440 2.771 7.301 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.167 2.507 8.873 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.215 5.033 10.313 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.680 1.972 7.778 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.487 5.320 11.216 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.897 2.251 8.629 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.239 3.329 10.043 1.00 0.00 H new ATOM 288 N CYS A 20 2.976 4.135 6.260 1.00 0.00 N ATOM 289 CA CYS A 20 4.296 3.876 5.599 1.00 0.00 C ATOM 290 C CYS A 20 4.516 5.142 4.762 1.00 0.00 C ATOM 291 O CYS A 20 3.573 5.746 4.290 1.00 0.00 O ATOM 292 CB CYS A 20 4.268 2.666 4.615 1.00 0.00 C ATOM 293 SG CYS A 20 3.675 2.908 2.916 1.00 0.00 S ATOM 0 H CYS A 20 2.193 4.215 5.612 1.00 0.00 H new ATOM 0 HA CYS A 20 5.060 3.651 6.343 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.282 2.271 4.554 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.651 1.890 5.069 1.00 0.00 H new ATOM 298 N ASN A 21 5.755 5.507 4.602 1.00 0.00 N ATOM 299 CA ASN A 21 6.104 6.727 3.802 1.00 0.00 C ATOM 300 C ASN A 21 7.207 6.421 2.782 1.00 0.00 C ATOM 301 O ASN A 21 7.039 6.535 1.584 1.00 0.00 O ATOM 302 CB ASN A 21 6.547 7.838 4.785 1.00 0.00 C ATOM 303 CG ASN A 21 7.725 7.367 5.649 1.00 0.00 C ATOM 304 OD1 ASN A 21 8.815 7.127 5.169 1.00 0.00 O ATOM 305 ND2 ASN A 21 7.541 7.224 6.932 1.00 0.00 N ATOM 0 H ASN A 21 6.555 5.010 4.994 1.00 0.00 H new ATOM 0 HA ASN A 21 5.234 7.059 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.834 8.730 4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.710 8.118 5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.310 6.912 7.526 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.629 7.424 7.342 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 -9.703 3.623 -6.263 1.00 0.00 N ATOM 314 CA PHE B 1 -9.070 2.509 -5.497 1.00 0.00 C ATOM 315 C PHE B 1 -10.116 1.408 -5.209 1.00 0.00 C ATOM 316 O PHE B 1 -11.227 1.489 -5.696 1.00 0.00 O ATOM 317 CB PHE B 1 -8.466 3.104 -4.188 1.00 0.00 C ATOM 318 CG PHE B 1 -9.534 3.655 -3.231 1.00 0.00 C ATOM 319 CD1 PHE B 1 -9.990 4.955 -3.350 1.00 0.00 C ATOM 320 CD2 PHE B 1 -10.049 2.851 -2.234 1.00 0.00 C ATOM 321 CE1 PHE B 1 -10.947 5.442 -2.484 1.00 0.00 C ATOM 322 CE2 PHE B 1 -11.004 3.336 -1.369 1.00 0.00 C ATOM 323 CZ PHE B 1 -11.455 4.632 -1.492 1.00 0.00 C ATOM 0 H1 PHE B 1 -9.025 3.996 -6.957 1.00 0.00 H new ATOM 0 H2 PHE B 1 -10.546 3.269 -6.758 1.00 0.00 H new ATOM 0 H3 PHE B 1 -9.980 4.381 -5.608 1.00 0.00 H new ATOM 0 HA PHE B 1 -8.270 2.043 -6.072 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -7.891 2.332 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -7.770 3.902 -4.446 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -9.594 5.593 -4.126 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -9.700 1.834 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -11.298 6.458 -2.584 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -11.401 2.699 -0.592 1.00 0.00 H new ATOM 0 HZ PHE B 1 -12.204 5.012 -0.813 1.00 0.00 H new ATOM 335 N VAL B 2 -9.743 0.416 -4.433 1.00 0.00 N ATOM 336 CA VAL B 2 -10.673 -0.707 -4.095 1.00 0.00 C ATOM 337 C VAL B 2 -11.008 -0.802 -2.602 1.00 0.00 C ATOM 338 O VAL B 2 -10.246 -0.438 -1.727 1.00 0.00 O ATOM 339 CB VAL B 2 -10.016 -2.066 -4.635 1.00 0.00 C ATOM 340 CG1 VAL B 2 -8.488 -1.923 -4.868 1.00 0.00 C ATOM 341 CG2 VAL B 2 -10.217 -3.275 -3.669 1.00 0.00 C ATOM 0 H VAL B 2 -8.817 0.338 -4.013 1.00 0.00 H new ATOM 0 HA VAL B 2 -11.631 -0.519 -4.580 1.00 0.00 H new ATOM 0 HB VAL B 2 -10.535 -2.258 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -8.086 -2.868 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -8.304 -1.141 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -8.000 -1.660 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -9.748 -4.162 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -9.760 -3.050 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -11.283 -3.458 -3.532 1.00 0.00 H new ATOM 351 N ASN B 3 -12.192 -1.318 -2.420 1.00 0.00 N ATOM 352 CA ASN B 3 -12.814 -1.545 -1.078 1.00 0.00 C ATOM 353 C ASN B 3 -13.257 -3.009 -0.911 1.00 0.00 C ATOM 354 O ASN B 3 -14.432 -3.325 -0.925 1.00 0.00 O ATOM 355 CB ASN B 3 -14.023 -0.595 -0.930 1.00 0.00 C ATOM 356 CG ASN B 3 -13.516 0.838 -0.763 1.00 0.00 C ATOM 357 OD1 ASN B 3 -12.932 1.178 0.247 1.00 0.00 O ATOM 358 ND2 ASN B 3 -13.714 1.701 -1.720 1.00 0.00 N ATOM 0 H ASN B 3 -12.790 -1.609 -3.194 1.00 0.00 H new ATOM 0 HA ASN B 3 -12.079 -1.338 -0.301 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -14.667 -0.666 -1.807 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -14.625 -0.884 -0.068 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -13.379 2.659 -1.620 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -14.204 1.418 -2.569 1.00 0.00 H new ATOM 365 N GLN B 4 -12.276 -3.860 -0.765 1.00 0.00 N ATOM 366 CA GLN B 4 -12.507 -5.324 -0.584 1.00 0.00 C ATOM 367 C GLN B 4 -11.737 -5.730 0.685 1.00 0.00 C ATOM 368 O GLN B 4 -11.135 -4.902 1.342 1.00 0.00 O ATOM 369 CB GLN B 4 -11.983 -6.033 -1.874 1.00 0.00 C ATOM 370 CG GLN B 4 -12.061 -7.592 -1.840 1.00 0.00 C ATOM 371 CD GLN B 4 -13.488 -8.106 -1.565 1.00 0.00 C ATOM 372 OE1 GLN B 4 -14.087 -7.838 -0.543 1.00 0.00 O ATOM 373 NE2 GLN B 4 -14.071 -8.858 -2.458 1.00 0.00 N ATOM 0 H GLN B 4 -11.292 -3.591 -0.764 1.00 0.00 H new ATOM 0 HA GLN B 4 -13.553 -5.602 -0.455 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -12.556 -5.673 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -10.947 -5.738 -2.038 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -11.712 -7.991 -2.792 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -11.388 -7.970 -1.070 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -13.584 -9.094 -3.323 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -15.014 -9.210 -2.291 1.00 0.00 H new ATOM 382 N HIS B 5 -11.778 -6.997 0.995 1.00 0.00 N ATOM 383 CA HIS B 5 -11.069 -7.517 2.196 1.00 0.00 C ATOM 384 C HIS B 5 -9.619 -7.723 1.773 1.00 0.00 C ATOM 385 O HIS B 5 -9.278 -8.579 0.979 1.00 0.00 O ATOM 386 CB HIS B 5 -11.725 -8.849 2.639 1.00 0.00 C ATOM 387 CG HIS B 5 -12.824 -8.547 3.666 1.00 0.00 C ATOM 388 ND1 HIS B 5 -13.967 -9.141 3.763 1.00 0.00 N ATOM 389 CD2 HIS B 5 -12.841 -7.618 4.690 1.00 0.00 C ATOM 390 CE1 HIS B 5 -14.638 -8.633 4.750 1.00 0.00 C ATOM 391 NE2 HIS B 5 -13.975 -7.682 5.357 1.00 0.00 N ATOM 0 H HIS B 5 -12.281 -7.703 0.458 1.00 0.00 H new ATOM 0 HA HIS B 5 -11.124 -6.833 3.043 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -12.147 -9.366 1.777 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -10.976 -9.512 3.073 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -14.292 -9.894 3.157 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -12.035 -6.934 4.912 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -15.628 -8.957 5.037 1.00 0.00 H new ATOM 399 N LEU B 6 -8.803 -6.887 2.353 1.00 0.00 N ATOM 400 CA LEU B 6 -7.342 -6.910 2.073 1.00 0.00 C ATOM 401 C LEU B 6 -6.717 -7.617 3.272 1.00 0.00 C ATOM 402 O LEU B 6 -6.398 -6.995 4.266 1.00 0.00 O ATOM 403 CB LEU B 6 -6.829 -5.445 1.937 1.00 0.00 C ATOM 404 CG LEU B 6 -7.710 -4.621 0.944 1.00 0.00 C ATOM 405 CD1 LEU B 6 -7.123 -3.197 0.805 1.00 0.00 C ATOM 406 CD2 LEU B 6 -7.781 -5.286 -0.453 1.00 0.00 C ATOM 0 H LEU B 6 -9.095 -6.175 3.023 1.00 0.00 H new ATOM 0 HA LEU B 6 -7.088 -7.425 1.146 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -6.834 -4.964 2.915 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -5.796 -5.451 1.590 1.00 0.00 H new ATOM 0 HG LEU B 6 -8.722 -4.580 1.346 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -7.734 -2.618 0.113 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -7.117 -2.709 1.780 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -6.104 -3.259 0.424 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -8.403 -4.681 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -6.777 -5.363 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -8.213 -6.283 -0.360 1.00 0.00 H new ATOM 418 N CYS B 7 -6.588 -8.914 3.125 1.00 0.00 N ATOM 419 CA CYS B 7 -5.996 -9.761 4.204 1.00 0.00 C ATOM 420 C CYS B 7 -4.834 -10.623 3.659 1.00 0.00 C ATOM 421 O CYS B 7 -4.510 -10.569 2.489 1.00 0.00 O ATOM 422 CB CYS B 7 -7.115 -10.652 4.778 1.00 0.00 C ATOM 423 SG CYS B 7 -7.105 -10.856 6.576 1.00 0.00 S ATOM 0 H CYS B 7 -6.872 -9.427 2.290 1.00 0.00 H new ATOM 0 HA CYS B 7 -5.582 -9.126 4.988 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -8.077 -10.232 4.483 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -7.043 -11.637 4.318 1.00 0.00 H new ATOM 428 N GLY B 8 -4.257 -11.391 4.552 1.00 0.00 N ATOM 429 CA GLY B 8 -3.105 -12.319 4.265 1.00 0.00 C ATOM 430 C GLY B 8 -2.383 -12.208 2.903 1.00 0.00 C ATOM 431 O GLY B 8 -2.668 -12.986 2.015 1.00 0.00 O ATOM 0 H GLY B 8 -4.555 -11.415 5.527 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.360 -12.172 5.047 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.472 -13.341 4.362 1.00 0.00 H new ATOM 435 N SER B 9 -1.495 -11.239 2.821 1.00 0.00 N ATOM 436 CA SER B 9 -0.634 -10.895 1.622 1.00 0.00 C ATOM 437 C SER B 9 -1.076 -9.595 0.992 1.00 0.00 C ATOM 438 O SER B 9 -0.253 -8.765 0.647 1.00 0.00 O ATOM 439 CB SER B 9 -0.673 -11.970 0.490 1.00 0.00 C ATOM 440 OG SER B 9 -0.157 -13.147 1.095 1.00 0.00 O ATOM 0 H SER B 9 -1.317 -10.616 3.609 1.00 0.00 H new ATOM 0 HA SER B 9 0.378 -10.832 2.023 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.688 -12.124 0.125 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.069 -11.667 -0.365 1.00 0.00 H new ATOM 0 HG SER B 9 -0.892 -13.661 1.489 1.00 0.00 H new ATOM 446 N HIS B 10 -2.371 -9.469 0.856 1.00 0.00 N ATOM 447 CA HIS B 10 -2.972 -8.236 0.257 1.00 0.00 C ATOM 448 C HIS B 10 -2.311 -7.079 0.992 1.00 0.00 C ATOM 449 O HIS B 10 -1.893 -6.135 0.358 1.00 0.00 O ATOM 450 CB HIS B 10 -4.495 -8.241 0.485 1.00 0.00 C ATOM 451 CG HIS B 10 -5.125 -9.453 -0.221 1.00 0.00 C ATOM 452 ND1 HIS B 10 -6.380 -9.768 -0.192 1.00 0.00 N ATOM 453 CD2 HIS B 10 -4.550 -10.442 -1.007 1.00 0.00 C ATOM 454 CE1 HIS B 10 -6.577 -10.841 -0.887 1.00 0.00 C ATOM 455 NE2 HIS B 10 -5.467 -11.296 -1.412 1.00 0.00 N ATOM 0 H HIS B 10 -3.048 -10.178 1.138 1.00 0.00 H new ATOM 0 HA HIS B 10 -2.812 -8.166 -0.819 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -4.712 -8.278 1.553 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -4.932 -7.319 0.103 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -3.500 -10.503 -1.252 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -7.543 -11.306 -1.019 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -5.342 -12.121 -1.999 1.00 0.00 H new ATOM 463 N LEU B 11 -2.239 -7.200 2.301 1.00 0.00 N ATOM 464 CA LEU B 11 -1.598 -6.136 3.135 1.00 0.00 C ATOM 465 C LEU B 11 -0.234 -5.788 2.523 1.00 0.00 C ATOM 466 O LEU B 11 -0.094 -4.760 1.892 1.00 0.00 O ATOM 467 CB LEU B 11 -1.342 -6.616 4.605 1.00 0.00 C ATOM 468 CG LEU B 11 -2.558 -6.542 5.560 1.00 0.00 C ATOM 469 CD1 LEU B 11 -3.053 -5.094 5.705 1.00 0.00 C ATOM 470 CD2 LEU B 11 -3.694 -7.421 5.070 1.00 0.00 C ATOM 0 H LEU B 11 -2.600 -7.996 2.827 1.00 0.00 H new ATOM 0 HA LEU B 11 -2.273 -5.280 3.155 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.991 -7.647 4.574 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.535 -6.017 5.027 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.230 -6.905 6.534 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.908 -5.068 6.381 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.252 -4.474 6.109 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.350 -4.712 4.729 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.534 -7.349 5.761 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -4.009 -7.091 4.080 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.356 -8.456 5.017 1.00 0.00 H new ATOM 482 N VAL B 12 0.712 -6.678 2.731 1.00 0.00 N ATOM 483 CA VAL B 12 2.110 -6.510 2.219 1.00 0.00 C ATOM 484 C VAL B 12 2.209 -5.722 0.916 1.00 0.00 C ATOM 485 O VAL B 12 2.863 -4.702 0.850 1.00 0.00 O ATOM 486 CB VAL B 12 2.756 -7.916 2.014 1.00 0.00 C ATOM 487 CG1 VAL B 12 4.216 -7.777 1.521 1.00 0.00 C ATOM 488 CG2 VAL B 12 2.769 -8.694 3.338 1.00 0.00 C ATOM 0 H VAL B 12 0.564 -7.542 3.253 1.00 0.00 H new ATOM 0 HA VAL B 12 2.642 -5.929 2.972 1.00 0.00 H new ATOM 0 HB VAL B 12 2.163 -8.449 1.271 1.00 0.00 H new ATOM 0 HG11 VAL B 12 4.650 -8.768 1.384 1.00 0.00 H new ATOM 0 HG12 VAL B 12 4.230 -7.240 0.572 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.798 -7.225 2.259 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.222 -9.673 3.180 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.347 -8.142 4.079 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.747 -8.821 3.696 1.00 0.00 H new ATOM 498 N GLU B 13 1.535 -6.221 -0.084 1.00 0.00 N ATOM 499 CA GLU B 13 1.574 -5.532 -1.404 1.00 0.00 C ATOM 500 C GLU B 13 0.865 -4.186 -1.400 1.00 0.00 C ATOM 501 O GLU B 13 1.465 -3.238 -1.850 1.00 0.00 O ATOM 502 CB GLU B 13 0.934 -6.430 -2.472 1.00 0.00 C ATOM 503 CG GLU B 13 1.577 -7.838 -2.436 1.00 0.00 C ATOM 504 CD GLU B 13 1.076 -8.676 -3.623 1.00 0.00 C ATOM 505 OE1 GLU B 13 1.450 -8.319 -4.729 1.00 0.00 O ATOM 506 OE2 GLU B 13 0.351 -9.622 -3.360 1.00 0.00 O ATOM 0 H GLU B 13 0.965 -7.066 -0.045 1.00 0.00 H new ATOM 0 HA GLU B 13 2.624 -5.344 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.139 -6.507 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.066 -5.986 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.663 -7.752 -2.474 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.329 -8.336 -1.499 1.00 0.00 H new ATOM 513 N ALA B 14 -0.351 -4.109 -0.921 1.00 0.00 N ATOM 514 CA ALA B 14 -1.099 -2.809 -0.886 1.00 0.00 C ATOM 515 C ALA B 14 -0.221 -1.710 -0.282 1.00 0.00 C ATOM 516 O ALA B 14 -0.154 -0.607 -0.789 1.00 0.00 O ATOM 517 CB ALA B 14 -2.376 -2.991 -0.046 1.00 0.00 C ATOM 0 H ALA B 14 -0.868 -4.904 -0.546 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.367 -2.514 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.927 -2.051 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.000 -3.763 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.106 -3.288 0.967 1.00 0.00 H new ATOM 523 N LEU B 15 0.429 -2.066 0.796 1.00 0.00 N ATOM 524 CA LEU B 15 1.326 -1.100 1.492 1.00 0.00 C ATOM 525 C LEU B 15 2.503 -0.828 0.603 1.00 0.00 C ATOM 526 O LEU B 15 2.825 0.316 0.380 1.00 0.00 O ATOM 527 CB LEU B 15 1.874 -1.671 2.825 1.00 0.00 C ATOM 528 CG LEU B 15 0.788 -2.305 3.718 1.00 0.00 C ATOM 529 CD1 LEU B 15 1.338 -2.563 5.131 1.00 0.00 C ATOM 530 CD2 LEU B 15 -0.519 -1.498 3.714 1.00 0.00 C ATOM 0 H LEU B 15 0.376 -2.990 1.225 1.00 0.00 H new ATOM 0 HA LEU B 15 0.748 -0.201 1.707 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.634 -2.420 2.604 1.00 0.00 H new ATOM 0 HB3 LEU B 15 2.366 -0.871 3.378 1.00 0.00 H new ATOM 0 HG LEU B 15 0.522 -3.273 3.293 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.559 -3.011 5.748 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.189 -3.242 5.072 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.656 -1.620 5.575 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.250 -1.987 4.358 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.326 -0.491 4.083 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.910 -1.443 2.698 1.00 0.00 H new ATOM 542 N TYR B 16 3.123 -1.863 0.106 1.00 0.00 N ATOM 543 CA TYR B 16 4.288 -1.626 -0.774 1.00 0.00 C ATOM 544 C TYR B 16 3.787 -1.144 -2.153 1.00 0.00 C ATOM 545 O TYR B 16 4.555 -0.851 -3.045 1.00 0.00 O ATOM 546 CB TYR B 16 5.096 -2.991 -0.730 1.00 0.00 C ATOM 547 CG TYR B 16 4.872 -4.123 -1.742 1.00 0.00 C ATOM 548 CD1 TYR B 16 4.514 -3.949 -3.055 1.00 0.00 C ATOM 549 CD2 TYR B 16 5.083 -5.417 -1.295 1.00 0.00 C ATOM 550 CE1 TYR B 16 4.378 -5.005 -3.893 1.00 0.00 C ATOM 551 CE2 TYR B 16 4.942 -6.495 -2.140 1.00 0.00 C ATOM 552 CZ TYR B 16 4.586 -6.297 -3.458 1.00 0.00 C ATOM 553 OH TYR B 16 4.441 -7.367 -4.318 1.00 0.00 O ATOM 0 H TYR B 16 2.877 -2.839 0.269 1.00 0.00 H new ATOM 0 HA TYR B 16 4.966 -0.829 -0.470 1.00 0.00 H new ATOM 0 HB2 TYR B 16 6.152 -2.728 -0.787 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.927 -3.420 0.258 1.00 0.00 H new ATOM 0 HD1 TYR B 16 4.337 -2.951 -3.428 1.00 0.00 H new ATOM 0 HD2 TYR B 16 5.363 -5.583 -0.265 1.00 0.00 H new ATOM 0 HE1 TYR B 16 4.101 -4.831 -4.922 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.110 -7.496 -1.771 1.00 0.00 H new ATOM 0 HH TYR B 16 3.488 -7.550 -4.454 1.00 0.00 H new ATOM 563 N LEU B 17 2.493 -1.041 -2.332 1.00 0.00 N ATOM 564 CA LEU B 17 1.993 -0.562 -3.654 1.00 0.00 C ATOM 565 C LEU B 17 2.260 0.956 -3.538 1.00 0.00 C ATOM 566 O LEU B 17 2.412 1.641 -4.531 1.00 0.00 O ATOM 567 CB LEU B 17 0.479 -0.861 -3.803 1.00 0.00 C ATOM 568 CG LEU B 17 0.174 -1.342 -5.256 1.00 0.00 C ATOM 569 CD1 LEU B 17 -1.334 -1.623 -5.399 1.00 0.00 C ATOM 570 CD2 LEU B 17 0.586 -0.285 -6.307 1.00 0.00 C ATOM 0 H LEU B 17 1.778 -1.262 -1.638 1.00 0.00 H new ATOM 0 HA LEU B 17 2.462 -1.031 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.178 -1.625 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.101 0.034 -3.577 1.00 0.00 H new ATOM 0 HG LEU B 17 0.753 -2.248 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -1.547 -1.959 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.628 -2.398 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -1.895 -0.711 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.358 -0.657 -7.306 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.035 0.639 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.656 -0.091 -6.228 1.00 0.00 H new ATOM 582 N VAL B 18 2.310 1.418 -2.303 1.00 0.00 N ATOM 583 CA VAL B 18 2.569 2.854 -2.002 1.00 0.00 C ATOM 584 C VAL B 18 4.088 2.980 -1.745 1.00 0.00 C ATOM 585 O VAL B 18 4.761 3.823 -2.304 1.00 0.00 O ATOM 586 CB VAL B 18 1.751 3.244 -0.738 1.00 0.00 C ATOM 587 CG1 VAL B 18 1.930 4.747 -0.420 1.00 0.00 C ATOM 588 CG2 VAL B 18 0.253 2.951 -0.983 1.00 0.00 C ATOM 0 H VAL B 18 2.177 0.836 -1.476 1.00 0.00 H new ATOM 0 HA VAL B 18 2.273 3.516 -2.816 1.00 0.00 H new ATOM 0 HB VAL B 18 2.112 2.658 0.107 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.351 5.003 0.467 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.984 4.957 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.582 5.342 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.321 3.224 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.097 3.533 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL B 18 0.119 1.889 -1.189 1.00 0.00 H new ATOM 598 N CYS B 19 4.566 2.109 -0.896 1.00 0.00 N ATOM 599 CA CYS B 19 6.011 2.045 -0.492 1.00 0.00 C ATOM 600 C CYS B 19 6.760 0.743 -0.932 1.00 0.00 C ATOM 601 O CYS B 19 7.459 0.131 -0.146 1.00 0.00 O ATOM 602 CB CYS B 19 6.061 2.186 1.048 1.00 0.00 C ATOM 603 SG CYS B 19 5.260 3.599 1.859 1.00 0.00 S ATOM 0 H CYS B 19 3.987 1.403 -0.442 1.00 0.00 H new ATOM 0 HA CYS B 19 6.533 2.852 -1.007 1.00 0.00 H new ATOM 0 HB2 CYS B 19 5.625 1.281 1.470 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.112 2.199 1.338 1.00 0.00 H new ATOM 608 N GLY B 20 6.595 0.357 -2.173 1.00 0.00 N ATOM 609 CA GLY B 20 7.260 -0.885 -2.743 1.00 0.00 C ATOM 610 C GLY B 20 7.686 -0.671 -4.200 1.00 0.00 C ATOM 611 O GLY B 20 8.840 -0.787 -4.562 1.00 0.00 O ATOM 0 H GLY B 20 6.012 0.858 -2.844 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.132 -1.142 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.572 -1.728 -2.683 1.00 0.00 H new ATOM 615 N GLU B 21 6.681 -0.356 -4.973 1.00 0.00 N ATOM 616 CA GLU B 21 6.825 -0.104 -6.440 1.00 0.00 C ATOM 617 C GLU B 21 7.033 1.389 -6.751 1.00 0.00 C ATOM 618 O GLU B 21 6.162 2.063 -7.270 1.00 0.00 O ATOM 619 CB GLU B 21 5.547 -0.639 -7.124 1.00 0.00 C ATOM 620 CG GLU B 21 5.399 -2.167 -6.870 1.00 0.00 C ATOM 621 CD GLU B 21 4.058 -2.739 -7.399 1.00 0.00 C ATOM 622 OE1 GLU B 21 3.215 -1.973 -7.844 1.00 0.00 O ATOM 623 OE2 GLU B 21 3.950 -3.952 -7.322 1.00 0.00 O ATOM 0 H GLU B 21 5.724 -0.259 -4.633 1.00 0.00 H new ATOM 0 HA GLU B 21 7.710 -0.615 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.673 -0.113 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.591 -0.444 -8.196 1.00 0.00 H new ATOM 0 HG2 GLU B 21 6.226 -2.692 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.474 -2.361 -5.800 1.00 0.00 H new ATOM 630 N ARG B 22 8.212 1.847 -6.407 1.00 0.00 N ATOM 631 CA ARG B 22 8.605 3.276 -6.630 1.00 0.00 C ATOM 632 C ARG B 22 9.884 3.374 -7.497 1.00 0.00 C ATOM 633 O ARG B 22 10.800 4.100 -7.167 1.00 0.00 O ATOM 634 CB ARG B 22 8.802 3.925 -5.227 1.00 0.00 C ATOM 635 CG ARG B 22 9.739 3.059 -4.340 1.00 0.00 C ATOM 636 CD ARG B 22 10.012 3.767 -2.998 1.00 0.00 C ATOM 637 NE ARG B 22 8.712 4.018 -2.293 1.00 0.00 N ATOM 638 CZ ARG B 22 8.365 5.233 -1.948 1.00 0.00 C ATOM 639 NH1 ARG B 22 9.272 6.059 -1.500 1.00 0.00 N ATOM 640 NH2 ARG B 22 7.117 5.596 -2.057 1.00 0.00 N ATOM 0 H ARG B 22 8.936 1.277 -5.970 1.00 0.00 H new ATOM 0 HA ARG B 22 7.829 3.809 -7.180 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.223 4.924 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.835 4.040 -4.737 1.00 0.00 H new ATOM 0 HG2 ARG B 22 9.282 2.086 -4.159 1.00 0.00 H new ATOM 0 HG3 ARG B 22 10.679 2.878 -4.861 1.00 0.00 H new ATOM 0 HD2 ARG B 22 10.663 3.153 -2.376 1.00 0.00 H new ATOM 0 HD3 ARG B 22 10.532 4.709 -3.171 1.00 0.00 H new ATOM 0 HE ARG B 22 8.093 3.236 -2.080 1.00 0.00 H new ATOM 0 HH11 ARG B 22 10.243 5.756 -1.421 1.00 0.00 H new ATOM 0 HH12 ARG B 22 9.010 7.007 -1.229 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.423 4.936 -2.408 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.835 6.540 -1.791 1.00 0.00 H new ATOM 654 N GLY B 23 9.852 2.626 -8.579 1.00 0.00 N ATOM 655 CA GLY B 23 10.935 2.498 -9.628 1.00 0.00 C ATOM 656 C GLY B 23 12.344 3.115 -9.435 1.00 0.00 C ATOM 657 O GLY B 23 12.824 3.310 -8.336 1.00 0.00 O ATOM 0 H GLY B 23 9.042 2.045 -8.796 1.00 0.00 H new ATOM 0 HA2 GLY B 23 11.080 1.432 -9.801 1.00 0.00 H new ATOM 0 HA3 GLY B 23 10.531 2.919 -10.549 1.00 0.00 H new ATOM 661 N GLY B 24 12.970 3.386 -10.557 1.00 0.00 N ATOM 662 CA GLY B 24 14.344 3.991 -10.576 1.00 0.00 C ATOM 663 C GLY B 24 14.363 5.305 -11.352 1.00 0.00 C ATOM 664 O GLY B 24 13.366 5.722 -11.910 1.00 0.00 O ATOM 0 H GLY B 24 12.578 3.209 -11.482 1.00 0.00 H new ATOM 0 HA2 GLY B 24 14.681 4.165 -9.554 1.00 0.00 H new ATOM 0 HA3 GLY B 24 15.046 3.290 -11.028 1.00 0.00 H new ATOM 668 N PHE B 25 15.522 5.912 -11.354 1.00 0.00 N ATOM 669 CA PHE B 25 15.727 7.211 -12.063 1.00 0.00 C ATOM 670 C PHE B 25 16.965 7.209 -12.964 1.00 0.00 C ATOM 671 O PHE B 25 16.905 7.579 -14.121 1.00 0.00 O ATOM 672 CB PHE B 25 15.850 8.319 -11.006 1.00 0.00 C ATOM 673 CG PHE B 25 16.190 9.636 -11.711 1.00 0.00 C ATOM 674 CD1 PHE B 25 15.275 10.255 -12.545 1.00 0.00 C ATOM 675 CD2 PHE B 25 17.432 10.219 -11.529 1.00 0.00 C ATOM 676 CE1 PHE B 25 15.598 11.435 -13.186 1.00 0.00 C ATOM 677 CE2 PHE B 25 17.755 11.397 -12.169 1.00 0.00 C ATOM 678 CZ PHE B 25 16.839 12.006 -12.998 1.00 0.00 C ATOM 0 H PHE B 25 16.353 5.554 -10.883 1.00 0.00 H new ATOM 0 HA PHE B 25 14.872 7.381 -12.717 1.00 0.00 H new ATOM 0 HB2 PHE B 25 14.917 8.417 -10.452 1.00 0.00 H new ATOM 0 HB3 PHE B 25 16.625 8.067 -10.283 1.00 0.00 H new ATOM 0 HD1 PHE B 25 14.302 9.812 -12.696 1.00 0.00 H new ATOM 0 HD2 PHE B 25 18.155 9.747 -10.880 1.00 0.00 H new ATOM 0 HE1 PHE B 25 14.878 11.911 -13.835 1.00 0.00 H new ATOM 0 HE2 PHE B 25 18.727 11.843 -12.020 1.00 0.00 H new ATOM 0 HZ PHE B 25 17.092 12.928 -13.500 1.00 0.00 H new ATOM 688 N TYR B 26 18.046 6.783 -12.374 1.00 0.00 N ATOM 689 CA TYR B 26 19.351 6.720 -13.096 1.00 0.00 C ATOM 690 C TYR B 26 19.567 5.307 -13.657 1.00 0.00 C ATOM 691 O TYR B 26 20.489 4.593 -13.309 1.00 0.00 O ATOM 692 CB TYR B 26 20.456 7.119 -12.087 1.00 0.00 C ATOM 693 CG TYR B 26 21.821 7.218 -12.794 1.00 0.00 C ATOM 694 CD1 TYR B 26 22.031 8.158 -13.784 1.00 0.00 C ATOM 695 CD2 TYR B 26 22.856 6.367 -12.454 1.00 0.00 C ATOM 696 CE1 TYR B 26 23.251 8.246 -14.421 1.00 0.00 C ATOM 697 CE2 TYR B 26 24.077 6.455 -13.091 1.00 0.00 C ATOM 698 CZ TYR B 26 24.283 7.396 -14.080 1.00 0.00 C ATOM 699 OH TYR B 26 25.502 7.487 -14.722 1.00 0.00 O ATOM 0 H TYR B 26 18.083 6.470 -11.404 1.00 0.00 H new ATOM 0 HA TYR B 26 19.373 7.404 -13.945 1.00 0.00 H new ATOM 0 HB2 TYR B 26 20.208 8.075 -11.626 1.00 0.00 H new ATOM 0 HB3 TYR B 26 20.508 6.383 -11.285 1.00 0.00 H new ATOM 0 HD1 TYR B 26 21.233 8.830 -14.062 1.00 0.00 H new ATOM 0 HD2 TYR B 26 22.708 5.626 -11.682 1.00 0.00 H new ATOM 0 HE1 TYR B 26 23.400 8.986 -15.193 1.00 0.00 H new ATOM 0 HE2 TYR B 26 24.876 5.784 -12.814 1.00 0.00 H new ATOM 0 HH TYR B 26 26.115 6.814 -14.358 1.00 0.00 H new ATOM 709 N THR B 27 18.656 4.975 -14.534 1.00 0.00 N ATOM 710 CA THR B 27 18.644 3.655 -15.231 1.00 0.00 C ATOM 711 C THR B 27 18.719 3.855 -16.762 1.00 0.00 C ATOM 712 O THR B 27 19.272 3.019 -17.450 1.00 0.00 O ATOM 713 CB THR B 27 17.354 2.880 -14.802 1.00 0.00 C ATOM 714 OG1 THR B 27 16.265 3.792 -14.856 1.00 0.00 O ATOM 715 CG2 THR B 27 17.445 2.458 -13.322 1.00 0.00 C ATOM 0 H THR B 27 17.890 5.591 -14.805 1.00 0.00 H new ATOM 0 HA THR B 27 19.516 3.066 -14.948 1.00 0.00 H new ATOM 0 HB THR B 27 17.236 2.013 -15.453 1.00 0.00 H new ATOM 0 HG1 THR B 27 15.440 3.333 -14.593 1.00 0.00 H new ATOM 0 HG21 THR B 27 16.540 1.920 -13.041 1.00 0.00 H new ATOM 0 HG22 THR B 27 18.310 1.810 -13.181 1.00 0.00 H new ATOM 0 HG23 THR B 27 17.550 3.345 -12.697 1.00 0.00 H new ATOM 723 N PRO B 28 18.172 4.939 -17.267 1.00 0.00 N ATOM 724 CA PRO B 28 18.881 5.815 -18.237 1.00 0.00 C ATOM 725 C PRO B 28 19.697 6.849 -17.435 1.00 0.00 C ATOM 726 O PRO B 28 19.893 6.675 -16.249 1.00 0.00 O ATOM 727 CB PRO B 28 17.740 6.389 -19.061 1.00 0.00 C ATOM 728 CG PRO B 28 16.658 6.640 -17.981 1.00 0.00 C ATOM 729 CD PRO B 28 16.792 5.441 -17.005 1.00 0.00 C ATOM 0 HA PRO B 28 19.608 5.337 -18.893 1.00 0.00 H new ATOM 0 HB2 PRO B 28 18.028 7.308 -19.572 1.00 0.00 H new ATOM 0 HB3 PRO B 28 17.399 5.692 -19.827 1.00 0.00 H new ATOM 0 HG2 PRO B 28 16.822 7.588 -17.469 1.00 0.00 H new ATOM 0 HG3 PRO B 28 15.662 6.683 -18.421 1.00 0.00 H new ATOM 0 HD2 PRO B 28 16.667 5.751 -15.967 1.00 0.00 H new ATOM 0 HD3 PRO B 28 16.041 4.676 -17.202 1.00 0.00 H new ATOM 737 N LYS B 29 20.155 7.889 -18.084 1.00 0.00 N ATOM 738 CA LYS B 29 20.958 8.929 -17.360 1.00 0.00 C ATOM 739 C LYS B 29 20.242 10.283 -17.320 1.00 0.00 C ATOM 740 O LYS B 29 19.144 10.425 -17.822 1.00 0.00 O ATOM 741 CB LYS B 29 22.328 9.056 -18.064 1.00 0.00 C ATOM 742 CG LYS B 29 23.047 7.691 -17.984 1.00 0.00 C ATOM 743 CD LYS B 29 24.504 7.836 -18.454 1.00 0.00 C ATOM 744 CE LYS B 29 25.190 6.462 -18.346 1.00 0.00 C ATOM 745 NZ LYS B 29 26.625 6.567 -18.733 1.00 0.00 N ATOM 0 H LYS B 29 20.011 8.065 -19.078 1.00 0.00 H new ATOM 0 HA LYS B 29 21.090 8.619 -16.323 1.00 0.00 H new ATOM 0 HB2 LYS B 29 22.194 9.353 -19.104 1.00 0.00 H new ATOM 0 HB3 LYS B 29 22.929 9.830 -17.587 1.00 0.00 H new ATOM 0 HG2 LYS B 29 23.022 7.317 -16.961 1.00 0.00 H new ATOM 0 HG3 LYS B 29 22.527 6.960 -18.603 1.00 0.00 H new ATOM 0 HD2 LYS B 29 24.536 8.196 -19.482 1.00 0.00 H new ATOM 0 HD3 LYS B 29 25.028 8.570 -17.842 1.00 0.00 H new ATOM 0 HE2 LYS B 29 25.108 6.087 -17.326 1.00 0.00 H new ATOM 0 HE3 LYS B 29 24.684 5.744 -18.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 27.075 5.633 -18.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 26.696 6.905 -19.714 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 27.107 7.237 -18.100 1.00 0.00 H new ATOM 759 N THR B 30 20.908 11.235 -16.714 1.00 0.00 N ATOM 760 CA THR B 30 20.360 12.622 -16.576 1.00 0.00 C ATOM 761 C THR B 30 21.149 13.605 -17.458 1.00 0.00 C ATOM 762 O THR B 30 22.139 13.277 -18.081 1.00 0.00 O ATOM 763 CB THR B 30 20.451 13.009 -15.074 1.00 0.00 C ATOM 764 OG1 THR B 30 19.888 14.310 -14.961 1.00 0.00 O ATOM 765 CG2 THR B 30 21.917 13.175 -14.607 1.00 0.00 C ATOM 0 H THR B 30 21.831 11.106 -16.299 1.00 0.00 H new ATOM 0 HA THR B 30 19.323 12.664 -16.909 1.00 0.00 H new ATOM 0 HB THR B 30 19.957 12.234 -14.487 1.00 0.00 H new ATOM 0 HG1 THR B 30 19.921 14.600 -14.026 1.00 0.00 H new ATOM 0 HG21 THR B 30 21.934 13.446 -13.551 1.00 0.00 H new ATOM 0 HG22 THR B 30 22.453 12.237 -14.750 1.00 0.00 H new ATOM 0 HG23 THR B 30 22.398 13.960 -15.191 1.00 0.00 H new TER 773 THR B 30