USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 364 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.125! USER MOD Single : A 12 SER OG : rot 180:sc= -0.513! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.525 K(o=-0.52,f=-4.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0602 X(o=-0.06,f=0) USER MOD Single : B 1 PHE N :NH3+ 147:sc= 0.136 (180deg=0.0348) USER MOD Single : B 3 ASN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.0029 X(o=-0.0029,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.24) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ -164:sc= -0.0171 (180deg=-0.305) USER MOD Single : B 30 THR OG1 : rot 180:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.012 8.936 -3.515 1.00 0.00 N ATOM 2 CA GLY A 1 -14.505 8.989 -3.270 1.00 0.00 C ATOM 3 C GLY A 1 -13.707 7.733 -3.344 1.00 0.00 C ATOM 4 O GLY A 1 -13.580 7.129 -4.391 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.412 9.892 -3.426 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.196 8.571 -4.472 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.456 8.309 -2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.081 9.689 -3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.350 9.417 -2.280 1.00 0.00 H new ATOM 10 N GLY A 2 -13.151 7.304 -2.244 1.00 0.00 N ATOM 11 CA GLY A 2 -12.342 6.053 -2.257 1.00 0.00 C ATOM 12 C GLY A 2 -11.452 6.005 -1.013 1.00 0.00 C ATOM 13 O GLY A 2 -11.924 6.084 0.104 1.00 0.00 O ATOM 0 H GLY A 2 -13.222 7.766 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -12.999 5.183 -2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.729 6.014 -3.157 1.00 0.00 H new ATOM 17 N GLY A 3 -10.166 5.874 -1.197 1.00 0.00 N ATOM 18 CA GLY A 3 -9.244 5.820 -0.027 1.00 0.00 C ATOM 19 C GLY A 3 -7.937 5.141 -0.443 1.00 0.00 C ATOM 20 O GLY A 3 -7.736 4.814 -1.595 1.00 0.00 O ATOM 0 H GLY A 3 -9.714 5.802 -2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.043 6.827 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.708 5.270 0.791 1.00 0.00 H new ATOM 24 N GLU A 4 -7.044 4.931 0.485 1.00 0.00 N ATOM 25 CA GLU A 4 -5.751 4.277 0.137 1.00 0.00 C ATOM 26 C GLU A 4 -4.861 4.207 1.379 1.00 0.00 C ATOM 27 O GLU A 4 -4.877 5.088 2.215 1.00 0.00 O ATOM 28 CB GLU A 4 -5.045 5.097 -0.944 1.00 0.00 C ATOM 29 CG GLU A 4 -4.881 6.539 -0.462 1.00 0.00 C ATOM 30 CD GLU A 4 -5.744 7.468 -1.318 1.00 0.00 C ATOM 31 OE1 GLU A 4 -5.520 7.513 -2.516 1.00 0.00 O ATOM 32 OE2 GLU A 4 -6.613 8.117 -0.761 1.00 0.00 O ATOM 0 H GLU A 4 -7.153 5.183 1.467 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.942 3.269 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.070 4.663 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.622 5.074 -1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.172 6.618 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.835 6.837 -0.525 1.00 0.00 H new ATOM 39 N GLN A 5 -4.082 3.168 1.505 1.00 0.00 N ATOM 40 CA GLN A 5 -3.190 3.045 2.692 1.00 0.00 C ATOM 41 C GLN A 5 -1.739 2.891 2.230 1.00 0.00 C ATOM 42 O GLN A 5 -0.815 2.985 3.013 1.00 0.00 O ATOM 43 CB GLN A 5 -3.596 1.820 3.512 1.00 0.00 C ATOM 44 CG GLN A 5 -3.030 1.943 4.928 1.00 0.00 C ATOM 45 CD GLN A 5 -4.106 2.494 5.864 1.00 0.00 C ATOM 46 OE1 GLN A 5 -4.536 3.622 5.718 1.00 0.00 O ATOM 47 NE2 GLN A 5 -4.566 1.742 6.827 1.00 0.00 N ATOM 0 H GLN A 5 -4.025 2.399 0.837 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.282 3.941 3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.682 1.738 3.549 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.224 0.912 3.038 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.691 0.969 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.162 2.602 4.928 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.207 0.796 6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.285 2.101 7.455 1.00 0.00 H new ATOM 56 N CYS A 6 -1.530 2.652 0.962 1.00 0.00 N ATOM 57 CA CYS A 6 -0.138 2.491 0.455 1.00 0.00 C ATOM 58 C CYS A 6 0.062 3.367 -0.785 1.00 0.00 C ATOM 59 O CYS A 6 1.093 3.324 -1.426 1.00 0.00 O ATOM 60 CB CYS A 6 0.105 1.026 0.090 1.00 0.00 C ATOM 61 SG CYS A 6 0.272 0.048 1.603 1.00 0.00 S ATOM 0 H CYS A 6 -2.262 2.562 0.258 1.00 0.00 H new ATOM 0 HA CYS A 6 0.567 2.795 1.229 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.722 0.648 -0.511 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.007 0.936 -0.516 1.00 0.00 H new ATOM 66 N CYS A 7 -0.914 4.164 -1.125 1.00 0.00 N ATOM 67 CA CYS A 7 -0.773 5.042 -2.322 1.00 0.00 C ATOM 68 C CYS A 7 0.085 6.255 -1.958 1.00 0.00 C ATOM 69 O CYS A 7 1.032 6.588 -2.643 1.00 0.00 O ATOM 70 CB CYS A 7 -2.156 5.513 -2.781 1.00 0.00 C ATOM 71 SG CYS A 7 -2.096 5.919 -4.543 1.00 0.00 S ATOM 0 H CYS A 7 -1.801 4.245 -0.627 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.297 4.485 -3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.896 4.734 -2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.465 6.386 -2.205 1.00 0.00 H new ATOM 76 N THR A 8 -0.237 6.917 -0.881 1.00 0.00 N ATOM 77 CA THR A 8 0.561 8.104 -0.467 1.00 0.00 C ATOM 78 C THR A 8 1.741 7.639 0.386 1.00 0.00 C ATOM 79 O THR A 8 2.775 8.274 0.437 1.00 0.00 O ATOM 80 CB THR A 8 -0.318 9.051 0.351 1.00 0.00 C ATOM 81 OG1 THR A 8 0.447 10.180 0.749 1.00 0.00 O ATOM 82 CG2 THR A 8 -0.840 8.323 1.590 1.00 0.00 C ATOM 0 H THR A 8 -1.020 6.686 -0.269 1.00 0.00 H new ATOM 0 HA THR A 8 0.928 8.627 -1.350 1.00 0.00 H new ATOM 0 HB THR A 8 -1.161 9.380 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.116 10.788 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.466 8.999 2.172 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.428 7.458 1.283 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.001 7.993 2.199 1.00 0.00 H new ATOM 90 N SER A 9 1.592 6.530 1.056 1.00 0.00 N ATOM 91 CA SER A 9 2.701 6.016 1.905 1.00 0.00 C ATOM 92 C SER A 9 3.475 4.949 1.129 1.00 0.00 C ATOM 93 O SER A 9 3.331 4.816 -0.071 1.00 0.00 O ATOM 94 CB SER A 9 2.124 5.401 3.180 1.00 0.00 C ATOM 95 OG SER A 9 3.186 4.892 3.978 1.00 0.00 O ATOM 0 H SER A 9 0.748 5.957 1.052 1.00 0.00 H new ATOM 0 HA SER A 9 3.370 6.835 2.169 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.562 6.151 3.737 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.427 4.602 2.929 1.00 0.00 H new ATOM 0 HG SER A 9 2.820 4.498 4.797 1.00 0.00 H new ATOM 101 N ILE A 10 4.295 4.188 1.799 1.00 0.00 N ATOM 102 CA ILE A 10 5.075 3.133 1.093 1.00 0.00 C ATOM 103 C ILE A 10 4.826 1.773 1.753 1.00 0.00 C ATOM 104 O ILE A 10 5.020 0.737 1.148 1.00 0.00 O ATOM 105 CB ILE A 10 6.566 3.470 1.161 1.00 0.00 C ATOM 106 CG1 ILE A 10 6.818 4.801 0.447 1.00 0.00 C ATOM 107 CG2 ILE A 10 7.371 2.364 0.478 1.00 0.00 C ATOM 108 CD1 ILE A 10 8.297 5.178 0.573 1.00 0.00 C ATOM 0 H ILE A 10 4.459 4.251 2.804 1.00 0.00 H new ATOM 0 HA ILE A 10 4.758 3.088 0.051 1.00 0.00 H new ATOM 0 HB ILE A 10 6.874 3.551 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.541 4.720 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.195 5.582 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.433 2.604 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.190 1.416 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.065 2.282 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.476 6.125 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.559 5.277 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.911 4.401 0.118 1.00 0.00 H new ATOM 120 N CYS A 11 4.398 1.764 2.988 1.00 0.00 N ATOM 121 CA CYS A 11 4.141 0.468 3.675 1.00 0.00 C ATOM 122 C CYS A 11 5.361 -0.441 3.515 1.00 0.00 C ATOM 123 O CYS A 11 6.400 -0.021 3.044 1.00 0.00 O ATOM 124 CB CYS A 11 2.916 -0.207 3.052 1.00 0.00 C ATOM 125 SG CYS A 11 1.656 1.041 2.690 1.00 0.00 S ATOM 0 H CYS A 11 4.216 2.597 3.548 1.00 0.00 H new ATOM 0 HA CYS A 11 3.956 0.647 4.734 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.200 -0.728 2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.515 -0.957 3.734 1.00 0.00 H new ATOM 130 N SER A 12 5.245 -1.684 3.894 1.00 0.00 N ATOM 131 CA SER A 12 6.399 -2.614 3.752 1.00 0.00 C ATOM 132 C SER A 12 5.888 -4.035 3.553 1.00 0.00 C ATOM 133 O SER A 12 4.700 -4.296 3.585 1.00 0.00 O ATOM 134 CB SER A 12 7.269 -2.570 5.005 1.00 0.00 C ATOM 135 OG SER A 12 8.155 -3.681 4.997 1.00 0.00 O ATOM 0 H SER A 12 4.402 -2.095 4.295 1.00 0.00 H new ATOM 0 HA SER A 12 6.992 -2.307 2.890 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.834 -1.639 5.037 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.644 -2.594 5.898 1.00 0.00 H new ATOM 0 HG SER A 12 8.718 -3.657 5.799 1.00 0.00 H new ATOM 141 N LEU A 13 6.785 -4.953 3.351 1.00 0.00 N ATOM 142 CA LEU A 13 6.376 -6.369 3.139 1.00 0.00 C ATOM 143 C LEU A 13 5.515 -6.833 4.308 1.00 0.00 C ATOM 144 O LEU A 13 4.783 -7.799 4.212 1.00 0.00 O ATOM 145 CB LEU A 13 7.626 -7.247 3.026 1.00 0.00 C ATOM 146 CG LEU A 13 7.242 -8.721 3.172 1.00 0.00 C ATOM 147 CD1 LEU A 13 6.414 -9.152 1.962 1.00 0.00 C ATOM 148 CD2 LEU A 13 8.512 -9.573 3.249 1.00 0.00 C ATOM 0 H LEU A 13 7.791 -4.785 3.323 1.00 0.00 H new ATOM 0 HA LEU A 13 5.797 -6.450 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.111 -7.082 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.345 -6.972 3.797 1.00 0.00 H new ATOM 0 HG LEU A 13 6.657 -8.857 4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.140 -10.202 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.511 -8.545 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.000 -9.017 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.240 -10.623 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.096 -9.438 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.105 -9.265 4.110 1.00 0.00 H new ATOM 160 N TYR A 14 5.587 -6.148 5.404 1.00 0.00 N ATOM 161 CA TYR A 14 4.768 -6.536 6.579 1.00 0.00 C ATOM 162 C TYR A 14 3.320 -6.145 6.326 1.00 0.00 C ATOM 163 O TYR A 14 2.425 -6.965 6.314 1.00 0.00 O ATOM 164 CB TYR A 14 5.268 -5.779 7.790 1.00 0.00 C ATOM 165 CG TYR A 14 6.348 -6.579 8.477 1.00 0.00 C ATOM 166 CD1 TYR A 14 7.643 -6.612 7.945 1.00 0.00 C ATOM 167 CD2 TYR A 14 6.051 -7.290 9.646 1.00 0.00 C ATOM 168 CE1 TYR A 14 8.644 -7.357 8.584 1.00 0.00 C ATOM 169 CE2 TYR A 14 7.051 -8.035 10.286 1.00 0.00 C ATOM 170 CZ TYR A 14 8.348 -8.068 9.755 1.00 0.00 C ATOM 171 OH TYR A 14 9.332 -8.801 10.386 1.00 0.00 O ATOM 0 H TYR A 14 6.181 -5.330 5.541 1.00 0.00 H new ATOM 0 HA TYR A 14 4.841 -7.611 6.746 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.658 -4.807 7.488 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.445 -5.592 8.480 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.870 -6.064 7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.052 -7.264 10.055 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.643 -7.383 8.174 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.822 -8.583 11.188 1.00 0.00 H new ATOM 0 HH TYR A 14 8.959 -9.231 11.183 1.00 0.00 H new ATOM 181 N GLN A 15 3.096 -4.884 6.122 1.00 0.00 N ATOM 182 CA GLN A 15 1.715 -4.403 5.863 1.00 0.00 C ATOM 183 C GLN A 15 1.150 -5.166 4.674 1.00 0.00 C ATOM 184 O GLN A 15 -0.042 -5.375 4.560 1.00 0.00 O ATOM 185 CB GLN A 15 1.740 -2.906 5.549 1.00 0.00 C ATOM 186 CG GLN A 15 2.647 -2.190 6.550 1.00 0.00 C ATOM 187 CD GLN A 15 2.024 -0.845 6.929 1.00 0.00 C ATOM 188 OE1 GLN A 15 2.366 0.176 6.365 1.00 0.00 O ATOM 189 NE2 GLN A 15 1.117 -0.801 7.867 1.00 0.00 N ATOM 0 H GLN A 15 3.814 -4.159 6.123 1.00 0.00 H new ATOM 0 HA GLN A 15 1.093 -4.569 6.742 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.101 -2.743 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.731 -2.496 5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.781 -2.805 7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.635 -2.036 6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.830 -1.658 8.340 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.695 0.090 8.127 1.00 0.00 H new ATOM 198 N LEU A 16 2.003 -5.596 3.791 1.00 0.00 N ATOM 199 CA LEU A 16 1.524 -6.357 2.613 1.00 0.00 C ATOM 200 C LEU A 16 1.135 -7.765 3.060 1.00 0.00 C ATOM 201 O LEU A 16 0.180 -8.339 2.571 1.00 0.00 O ATOM 202 CB LEU A 16 2.635 -6.436 1.561 1.00 0.00 C ATOM 203 CG LEU A 16 3.075 -5.022 1.175 1.00 0.00 C ATOM 204 CD1 LEU A 16 4.377 -5.093 0.376 1.00 0.00 C ATOM 205 CD2 LEU A 16 1.987 -4.364 0.321 1.00 0.00 C ATOM 0 H LEU A 16 3.012 -5.452 3.836 1.00 0.00 H new ATOM 0 HA LEU A 16 0.660 -5.856 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.483 -6.997 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.279 -6.971 0.680 1.00 0.00 H new ATOM 0 HG LEU A 16 3.235 -4.432 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.690 -4.086 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.152 -5.561 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.218 -5.683 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.300 -3.357 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.827 -4.954 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.059 -4.313 0.890 1.00 0.00 H new ATOM 217 N GLU A 17 1.852 -8.329 3.998 1.00 0.00 N ATOM 218 CA GLU A 17 1.488 -9.700 4.462 1.00 0.00 C ATOM 219 C GLU A 17 0.329 -9.604 5.451 1.00 0.00 C ATOM 220 O GLU A 17 -0.273 -10.593 5.816 1.00 0.00 O ATOM 221 CB GLU A 17 2.689 -10.362 5.139 1.00 0.00 C ATOM 222 CG GLU A 17 3.141 -9.507 6.319 1.00 0.00 C ATOM 223 CD GLU A 17 4.106 -10.309 7.195 1.00 0.00 C ATOM 224 OE1 GLU A 17 3.672 -11.291 7.773 1.00 0.00 O ATOM 225 OE2 GLU A 17 5.262 -9.926 7.272 1.00 0.00 O ATOM 0 H GLU A 17 2.660 -7.908 4.456 1.00 0.00 H new ATOM 0 HA GLU A 17 1.191 -10.304 3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.422 -11.362 5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.505 -10.477 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.628 -8.601 5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.277 -9.193 6.905 1.00 0.00 H new ATOM 232 N ASN A 18 0.004 -8.416 5.880 1.00 0.00 N ATOM 233 CA ASN A 18 -1.122 -8.261 6.836 1.00 0.00 C ATOM 234 C ASN A 18 -2.443 -8.256 6.061 1.00 0.00 C ATOM 235 O ASN A 18 -3.511 -8.184 6.637 1.00 0.00 O ATOM 236 CB ASN A 18 -0.966 -6.945 7.602 1.00 0.00 C ATOM 237 CG ASN A 18 -0.317 -7.221 8.961 1.00 0.00 C ATOM 238 OD1 ASN A 18 0.760 -7.779 9.030 1.00 0.00 O ATOM 239 ND2 ASN A 18 -0.932 -6.852 10.051 1.00 0.00 N ATOM 0 H ASN A 18 0.469 -7.550 5.610 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.119 -9.089 7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.354 -6.248 7.029 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.939 -6.474 7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.509 -7.032 10.961 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.836 -6.384 9.993 1.00 0.00 H new ATOM 246 N TYR A 19 -2.380 -8.332 4.757 1.00 0.00 N ATOM 247 CA TYR A 19 -3.634 -8.334 3.950 1.00 0.00 C ATOM 248 C TYR A 19 -4.093 -9.767 3.714 1.00 0.00 C ATOM 249 O TYR A 19 -5.251 -10.029 3.459 1.00 0.00 O ATOM 250 CB TYR A 19 -3.374 -7.689 2.590 1.00 0.00 C ATOM 251 CG TYR A 19 -3.618 -6.208 2.675 1.00 0.00 C ATOM 252 CD1 TYR A 19 -4.925 -5.721 2.781 1.00 0.00 C ATOM 253 CD2 TYR A 19 -2.537 -5.321 2.644 1.00 0.00 C ATOM 254 CE1 TYR A 19 -5.152 -4.340 2.860 1.00 0.00 C ATOM 255 CE2 TYR A 19 -2.761 -3.941 2.722 1.00 0.00 C ATOM 256 CZ TYR A 19 -4.070 -3.450 2.830 1.00 0.00 C ATOM 257 OH TYR A 19 -4.292 -2.090 2.906 1.00 0.00 O ATOM 0 H TYR A 19 -1.516 -8.393 4.218 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.398 -7.777 4.493 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.348 -7.881 2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.025 -8.132 1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.758 -6.408 2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.529 -5.701 2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.160 -3.962 2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.927 -3.256 2.699 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.435 -1.616 2.873 1.00 0.00 H new ATOM 267 N CYS A 20 -3.184 -10.693 3.767 1.00 0.00 N ATOM 268 CA CYS A 20 -3.554 -12.111 3.513 1.00 0.00 C ATOM 269 C CYS A 20 -3.603 -12.888 4.825 1.00 0.00 C ATOM 270 O CYS A 20 -3.585 -12.321 5.900 1.00 0.00 O ATOM 271 CB CYS A 20 -2.512 -12.743 2.592 1.00 0.00 C ATOM 272 SG CYS A 20 -1.942 -11.512 1.390 1.00 0.00 S ATOM 0 H CYS A 20 -2.199 -10.531 3.975 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.538 -12.144 3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.670 -13.112 3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.941 -13.601 2.074 1.00 0.00 H new ATOM 277 N ASN A 21 -3.665 -14.188 4.739 1.00 0.00 N ATOM 278 CA ASN A 21 -3.716 -15.017 5.976 1.00 0.00 C ATOM 279 C ASN A 21 -3.817 -16.496 5.595 1.00 0.00 C ATOM 280 O ASN A 21 -3.251 -17.310 6.306 1.00 0.00 O ATOM 281 CB ASN A 21 -4.938 -14.621 6.807 1.00 0.00 C ATOM 282 CG ASN A 21 -4.808 -15.201 8.217 1.00 0.00 C ATOM 283 OD1 ASN A 21 -5.631 -15.988 8.639 1.00 0.00 O ATOM 284 ND2 ASN A 21 -3.802 -14.843 8.968 1.00 0.00 N ATOM 285 OXT ASN A 21 -4.460 -16.789 4.600 1.00 0.00 O ATOM 0 H ASN A 21 -3.683 -14.713 3.864 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.811 -14.852 6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.021 -13.535 6.855 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.848 -14.990 6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.707 -15.224 9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.111 -14.182 8.613 1.00 0.00 H new TER 292 ASN A 21 ATOM 293 N PHE B 1 12.995 -6.849 -2.356 1.00 0.00 N ATOM 294 CA PHE B 1 12.135 -5.874 -1.628 1.00 0.00 C ATOM 295 C PHE B 1 12.761 -4.480 -1.715 1.00 0.00 C ATOM 296 O PHE B 1 13.963 -4.323 -1.635 1.00 0.00 O ATOM 297 CB PHE B 1 12.021 -6.293 -0.161 1.00 0.00 C ATOM 298 CG PHE B 1 11.221 -7.570 -0.057 1.00 0.00 C ATOM 299 CD1 PHE B 1 9.881 -7.592 -0.466 1.00 0.00 C ATOM 300 CD2 PHE B 1 11.818 -8.732 0.453 1.00 0.00 C ATOM 301 CE1 PHE B 1 9.138 -8.776 -0.367 1.00 0.00 C ATOM 302 CE2 PHE B 1 11.074 -9.915 0.552 1.00 0.00 C ATOM 303 CZ PHE B 1 9.734 -9.937 0.142 1.00 0.00 C ATOM 0 H1 PHE B 1 12.945 -7.775 -1.886 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.662 -6.940 -3.337 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.979 -6.513 -2.354 1.00 0.00 H new ATOM 0 HA PHE B 1 11.142 -5.855 -2.078 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.014 -6.439 0.264 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.540 -5.503 0.416 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.421 -6.697 -0.857 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.851 -8.715 0.769 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.105 -8.793 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.533 -10.810 0.944 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.161 -10.849 0.218 1.00 0.00 H new ATOM 315 N VAL B 2 11.955 -3.464 -1.877 1.00 0.00 N ATOM 316 CA VAL B 2 12.503 -2.082 -1.970 1.00 0.00 C ATOM 317 C VAL B 2 11.437 -1.082 -1.522 1.00 0.00 C ATOM 318 O VAL B 2 10.485 -1.424 -0.851 1.00 0.00 O ATOM 319 CB VAL B 2 12.932 -1.797 -3.420 1.00 0.00 C ATOM 320 CG1 VAL B 2 11.762 -1.234 -4.236 1.00 0.00 C ATOM 321 CG2 VAL B 2 14.087 -0.790 -3.427 1.00 0.00 C ATOM 0 H VAL B 2 10.940 -3.533 -1.949 1.00 0.00 H new ATOM 0 HA VAL B 2 13.373 -1.984 -1.321 1.00 0.00 H new ATOM 0 HB VAL B 2 13.254 -2.735 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.090 -1.041 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.946 -1.956 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.417 -0.304 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.389 -0.590 -4.455 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.763 0.138 -2.957 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.932 -1.201 -2.874 1.00 0.00 H new ATOM 331 N ASN B 3 11.597 0.149 -1.897 1.00 0.00 N ATOM 332 CA ASN B 3 10.603 1.189 -1.507 1.00 0.00 C ATOM 333 C ASN B 3 9.899 1.717 -2.759 1.00 0.00 C ATOM 334 O ASN B 3 10.533 2.123 -3.713 1.00 0.00 O ATOM 335 CB ASN B 3 11.321 2.342 -0.802 1.00 0.00 C ATOM 336 CG ASN B 3 11.526 1.990 0.673 1.00 0.00 C ATOM 337 OD1 ASN B 3 11.046 2.683 1.547 1.00 0.00 O ATOM 338 ND2 ASN B 3 12.224 0.932 0.987 1.00 0.00 N ATOM 0 H ASN B 3 12.377 0.487 -2.461 1.00 0.00 H new ATOM 0 HA ASN B 3 9.866 0.752 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.283 2.531 -1.279 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.736 3.257 -0.890 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.366 0.687 1.967 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.627 0.350 0.252 1.00 0.00 H new ATOM 345 N GLN B 4 8.593 1.720 -2.762 1.00 0.00 N ATOM 346 CA GLN B 4 7.854 2.228 -3.952 1.00 0.00 C ATOM 347 C GLN B 4 6.440 2.649 -3.537 1.00 0.00 C ATOM 348 O GLN B 4 6.041 2.486 -2.400 1.00 0.00 O ATOM 349 CB GLN B 4 7.793 1.132 -5.030 1.00 0.00 C ATOM 350 CG GLN B 4 6.580 0.218 -4.810 1.00 0.00 C ATOM 351 CD GLN B 4 6.467 -0.770 -5.973 1.00 0.00 C ATOM 352 OE1 GLN B 4 6.547 -1.966 -5.778 1.00 0.00 O ATOM 353 NE2 GLN B 4 6.285 -0.317 -7.183 1.00 0.00 N ATOM 0 H GLN B 4 8.008 1.393 -1.993 1.00 0.00 H new ATOM 0 HA GLN B 4 8.373 3.094 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.735 1.590 -6.017 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.708 0.541 -5.006 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.684 -0.322 -3.869 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.671 0.814 -4.736 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.218 0.688 -7.347 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.210 -0.967 -7.965 1.00 0.00 H new ATOM 362 N HIS B 5 5.679 3.183 -4.451 1.00 0.00 N ATOM 363 CA HIS B 5 4.292 3.610 -4.115 1.00 0.00 C ATOM 364 C HIS B 5 3.297 2.752 -4.899 1.00 0.00 C ATOM 365 O HIS B 5 3.390 2.626 -6.104 1.00 0.00 O ATOM 366 CB HIS B 5 4.095 5.085 -4.490 1.00 0.00 C ATOM 367 CG HIS B 5 5.415 5.807 -4.439 1.00 0.00 C ATOM 368 ND1 HIS B 5 5.824 6.634 -5.464 1.00 0.00 N ATOM 369 CD2 HIS B 5 6.401 5.814 -3.490 1.00 0.00 C ATOM 370 CE1 HIS B 5 7.026 7.112 -5.116 1.00 0.00 C ATOM 371 NE2 HIS B 5 7.421 6.638 -3.915 1.00 0.00 N ATOM 0 H HIS B 5 5.959 3.343 -5.419 1.00 0.00 H new ATOM 0 HA HIS B 5 4.126 3.486 -3.045 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.667 5.161 -5.490 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.388 5.552 -3.804 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.383 5.264 -2.561 1.00 0.00 H new ATOM 0 HE1 HIS B 5 7.607 7.792 -5.721 1.00 0.00 H new ATOM 0 HE2 HIS B 5 8.291 6.846 -3.425 1.00 0.00 H new ATOM 379 N LEU B 6 2.344 2.164 -4.230 1.00 0.00 N ATOM 380 CA LEU B 6 1.345 1.318 -4.948 1.00 0.00 C ATOM 381 C LEU B 6 -0.057 1.679 -4.459 1.00 0.00 C ATOM 382 O LEU B 6 -0.232 2.183 -3.367 1.00 0.00 O ATOM 383 CB LEU B 6 1.605 -0.171 -4.674 1.00 0.00 C ATOM 384 CG LEU B 6 2.993 -0.365 -4.058 1.00 0.00 C ATOM 385 CD1 LEU B 6 2.909 -0.162 -2.543 1.00 0.00 C ATOM 386 CD2 LEU B 6 3.489 -1.781 -4.357 1.00 0.00 C ATOM 0 H LEU B 6 2.213 2.231 -3.221 1.00 0.00 H new ATOM 0 HA LEU B 6 1.432 1.500 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.843 -0.562 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.530 -0.737 -5.603 1.00 0.00 H new ATOM 0 HG LEU B 6 3.686 0.360 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.896 -0.300 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.554 0.846 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.217 -0.888 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.477 -1.920 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.797 -2.507 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.547 -1.926 -5.436 1.00 0.00 H new ATOM 398 N CYS B 7 -1.058 1.427 -5.255 1.00 0.00 N ATOM 399 CA CYS B 7 -2.444 1.759 -4.826 1.00 0.00 C ATOM 400 C CYS B 7 -3.413 0.688 -5.333 1.00 0.00 C ATOM 401 O CYS B 7 -4.340 0.307 -4.647 1.00 0.00 O ATOM 402 CB CYS B 7 -2.849 3.120 -5.399 1.00 0.00 C ATOM 403 SG CYS B 7 -1.417 4.229 -5.414 1.00 0.00 S ATOM 0 H CYS B 7 -0.977 1.007 -6.181 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.481 1.796 -3.737 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.237 2.998 -6.410 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.650 3.553 -4.800 1.00 0.00 H new ATOM 408 N GLY B 8 -3.213 0.205 -6.528 1.00 0.00 N ATOM 409 CA GLY B 8 -4.135 -0.834 -7.069 1.00 0.00 C ATOM 410 C GLY B 8 -3.337 -1.926 -7.785 1.00 0.00 C ATOM 411 O GLY B 8 -2.713 -2.763 -7.164 1.00 0.00 O ATOM 0 H GLY B 8 -2.455 0.483 -7.151 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.718 -1.271 -6.258 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.843 -0.378 -7.761 1.00 0.00 H new ATOM 415 N SER B 9 -3.362 -1.930 -9.090 1.00 0.00 N ATOM 416 CA SER B 9 -2.616 -2.972 -9.852 1.00 0.00 C ATOM 417 C SER B 9 -1.220 -3.160 -9.252 1.00 0.00 C ATOM 418 O SER B 9 -0.757 -4.269 -9.076 1.00 0.00 O ATOM 419 CB SER B 9 -2.489 -2.538 -11.313 1.00 0.00 C ATOM 420 OG SER B 9 -2.239 -1.140 -11.367 1.00 0.00 O ATOM 0 H SER B 9 -3.868 -1.255 -9.663 1.00 0.00 H new ATOM 0 HA SER B 9 -3.159 -3.916 -9.795 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.679 -3.083 -11.797 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.403 -2.777 -11.856 1.00 0.00 H new ATOM 0 HG SER B 9 -2.155 -0.859 -12.302 1.00 0.00 H new ATOM 426 N ASP B 10 -0.542 -2.089 -8.942 1.00 0.00 N ATOM 427 CA ASP B 10 0.826 -2.219 -8.361 1.00 0.00 C ATOM 428 C ASP B 10 0.735 -2.681 -6.909 1.00 0.00 C ATOM 429 O ASP B 10 1.528 -3.480 -6.449 1.00 0.00 O ATOM 430 CB ASP B 10 1.543 -0.868 -8.422 1.00 0.00 C ATOM 431 CG ASP B 10 2.611 -0.905 -9.517 1.00 0.00 C ATOM 432 OD1 ASP B 10 3.591 -1.610 -9.337 1.00 0.00 O ATOM 433 OD2 ASP B 10 2.432 -0.228 -10.515 1.00 0.00 O ATOM 0 H ASP B 10 -0.874 -1.132 -9.065 1.00 0.00 H new ATOM 0 HA ASP B 10 1.387 -2.955 -8.937 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.826 -0.073 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.002 -0.644 -7.459 1.00 0.00 H new ATOM 438 N LEU B 11 -0.220 -2.184 -6.179 1.00 0.00 N ATOM 439 CA LEU B 11 -0.354 -2.593 -4.751 1.00 0.00 C ATOM 440 C LEU B 11 -0.715 -4.071 -4.681 1.00 0.00 C ATOM 441 O LEU B 11 -0.187 -4.815 -3.877 1.00 0.00 O ATOM 442 CB LEU B 11 -1.443 -1.756 -4.072 1.00 0.00 C ATOM 443 CG LEU B 11 -1.467 -2.054 -2.569 1.00 0.00 C ATOM 444 CD1 LEU B 11 -0.052 -1.937 -1.997 1.00 0.00 C ATOM 445 CD2 LEU B 11 -2.379 -1.045 -1.868 1.00 0.00 C ATOM 0 H LEU B 11 -0.915 -1.513 -6.506 1.00 0.00 H new ATOM 0 HA LEU B 11 0.592 -2.428 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.256 -0.695 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.415 -1.981 -4.512 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.841 -3.065 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.073 -2.150 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.603 -2.651 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.323 -0.927 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.399 -1.254 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.001 -0.036 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.388 -1.125 -2.272 1.00 0.00 H new ATOM 457 N VAL B 12 -1.595 -4.510 -5.526 1.00 0.00 N ATOM 458 CA VAL B 12 -1.973 -5.947 -5.518 1.00 0.00 C ATOM 459 C VAL B 12 -0.794 -6.758 -6.041 1.00 0.00 C ATOM 460 O VAL B 12 -0.602 -7.904 -5.686 1.00 0.00 O ATOM 461 CB VAL B 12 -3.206 -6.162 -6.401 1.00 0.00 C ATOM 462 CG1 VAL B 12 -4.204 -5.032 -6.153 1.00 0.00 C ATOM 463 CG2 VAL B 12 -2.796 -6.158 -7.878 1.00 0.00 C ATOM 0 H VAL B 12 -2.071 -3.938 -6.224 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.217 -6.269 -4.506 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.662 -7.121 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.084 -5.180 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.501 -5.032 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.740 -4.077 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.677 -6.311 -8.501 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.339 -5.200 -8.126 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.080 -6.960 -8.059 1.00 0.00 H new ATOM 473 N GLU B 13 0.013 -6.157 -6.864 1.00 0.00 N ATOM 474 CA GLU B 13 1.200 -6.876 -7.391 1.00 0.00 C ATOM 475 C GLU B 13 2.084 -7.254 -6.206 1.00 0.00 C ATOM 476 O GLU B 13 2.799 -8.236 -6.233 1.00 0.00 O ATOM 477 CB GLU B 13 1.975 -5.964 -8.345 1.00 0.00 C ATOM 478 CG GLU B 13 3.086 -6.767 -9.025 1.00 0.00 C ATOM 479 CD GLU B 13 2.464 -7.802 -9.964 1.00 0.00 C ATOM 480 OE1 GLU B 13 2.199 -7.456 -11.103 1.00 0.00 O ATOM 481 OE2 GLU B 13 2.262 -8.922 -9.527 1.00 0.00 O ATOM 0 H GLU B 13 -0.098 -5.199 -7.195 1.00 0.00 H new ATOM 0 HA GLU B 13 0.893 -7.769 -7.936 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.302 -5.547 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.402 -5.124 -7.797 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.742 -6.100 -9.585 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.702 -7.264 -8.275 1.00 0.00 H new ATOM 488 N ALA B 14 2.030 -6.477 -5.158 1.00 0.00 N ATOM 489 CA ALA B 14 2.855 -6.784 -3.959 1.00 0.00 C ATOM 490 C ALA B 14 2.071 -7.709 -3.026 1.00 0.00 C ATOM 491 O ALA B 14 2.631 -8.339 -2.150 1.00 0.00 O ATOM 492 CB ALA B 14 3.188 -5.485 -3.225 1.00 0.00 C ATOM 0 H ALA B 14 1.449 -5.642 -5.082 1.00 0.00 H new ATOM 0 HA ALA B 14 3.778 -7.275 -4.268 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.793 -5.708 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.744 -4.824 -3.890 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.265 -4.995 -2.915 1.00 0.00 H new ATOM 498 N LEU B 15 0.782 -7.808 -3.209 1.00 0.00 N ATOM 499 CA LEU B 15 -0.020 -8.707 -2.330 1.00 0.00 C ATOM 500 C LEU B 15 -0.017 -10.105 -2.940 1.00 0.00 C ATOM 501 O LEU B 15 -0.166 -11.102 -2.259 1.00 0.00 O ATOM 502 CB LEU B 15 -1.460 -8.192 -2.238 1.00 0.00 C ATOM 503 CG LEU B 15 -1.513 -6.980 -1.308 1.00 0.00 C ATOM 504 CD1 LEU B 15 -2.839 -6.243 -1.506 1.00 0.00 C ATOM 505 CD2 LEU B 15 -1.405 -7.449 0.145 1.00 0.00 C ATOM 0 H LEU B 15 0.252 -7.309 -3.924 1.00 0.00 H new ATOM 0 HA LEU B 15 0.411 -8.731 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.823 -7.919 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.115 -8.979 -1.864 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.685 -6.309 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.877 -5.379 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.919 -5.910 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.666 -6.914 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.443 -6.586 0.810 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.234 -8.119 0.373 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.462 -7.976 0.288 1.00 0.00 H new ATOM 517 N TYR B 16 0.161 -10.173 -4.225 1.00 0.00 N ATOM 518 CA TYR B 16 0.185 -11.486 -4.918 1.00 0.00 C ATOM 519 C TYR B 16 1.608 -12.051 -4.855 1.00 0.00 C ATOM 520 O TYR B 16 1.819 -13.247 -4.896 1.00 0.00 O ATOM 521 CB TYR B 16 -0.249 -11.271 -6.378 1.00 0.00 C ATOM 522 CG TYR B 16 0.394 -12.297 -7.290 1.00 0.00 C ATOM 523 CD1 TYR B 16 1.641 -12.026 -7.869 1.00 0.00 C ATOM 524 CD2 TYR B 16 -0.254 -13.512 -7.558 1.00 0.00 C ATOM 525 CE1 TYR B 16 2.241 -12.968 -8.714 1.00 0.00 C ATOM 526 CE2 TYR B 16 0.347 -14.454 -8.404 1.00 0.00 C ATOM 527 CZ TYR B 16 1.594 -14.182 -8.981 1.00 0.00 C ATOM 528 OH TYR B 16 2.189 -15.109 -9.812 1.00 0.00 O ATOM 0 H TYR B 16 0.293 -9.365 -4.833 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.495 -12.193 -4.442 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.334 -11.341 -6.453 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.029 -10.267 -6.700 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.140 -11.090 -7.664 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.215 -13.721 -7.113 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.202 -12.759 -9.160 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.151 -15.390 -8.611 1.00 0.00 H new ATOM 0 HH TYR B 16 1.610 -15.896 -9.892 1.00 0.00 H new ATOM 538 N LEU B 17 2.585 -11.194 -4.760 1.00 0.00 N ATOM 539 CA LEU B 17 3.993 -11.668 -4.700 1.00 0.00 C ATOM 540 C LEU B 17 4.392 -11.911 -3.241 1.00 0.00 C ATOM 541 O LEU B 17 5.397 -12.533 -2.955 1.00 0.00 O ATOM 542 CB LEU B 17 4.902 -10.598 -5.314 1.00 0.00 C ATOM 543 CG LEU B 17 6.364 -10.916 -5.005 1.00 0.00 C ATOM 544 CD1 LEU B 17 6.784 -12.181 -5.755 1.00 0.00 C ATOM 545 CD2 LEU B 17 7.237 -9.742 -5.451 1.00 0.00 C ATOM 0 H LEU B 17 2.467 -10.182 -4.721 1.00 0.00 H new ATOM 0 HA LEU B 17 4.094 -12.600 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.750 -10.555 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU B 17 4.643 -9.617 -4.917 1.00 0.00 H new ATOM 0 HG LEU B 17 6.485 -11.078 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.827 -12.406 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.158 -13.016 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.667 -12.024 -6.827 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.282 -9.962 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.115 -9.584 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.937 -8.841 -4.915 1.00 0.00 H new ATOM 557 N VAL B 18 3.616 -11.418 -2.314 1.00 0.00 N ATOM 558 CA VAL B 18 3.957 -11.608 -0.875 1.00 0.00 C ATOM 559 C VAL B 18 3.252 -12.846 -0.310 1.00 0.00 C ATOM 560 O VAL B 18 3.839 -13.638 0.400 1.00 0.00 O ATOM 561 CB VAL B 18 3.518 -10.364 -0.088 1.00 0.00 C ATOM 562 CG1 VAL B 18 3.377 -10.704 1.398 1.00 0.00 C ATOM 563 CG2 VAL B 18 4.564 -9.261 -0.256 1.00 0.00 C ATOM 0 H VAL B 18 2.760 -10.892 -2.491 1.00 0.00 H new ATOM 0 HA VAL B 18 5.034 -11.751 -0.782 1.00 0.00 H new ATOM 0 HB VAL B 18 2.556 -10.023 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.065 -9.815 1.947 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.630 -11.488 1.523 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.335 -11.051 1.784 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.254 -8.377 0.302 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.525 -9.610 0.122 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.660 -9.008 -1.312 1.00 0.00 H new ATOM 573 N CYS B 19 1.995 -12.999 -0.596 1.00 0.00 N ATOM 574 CA CYS B 19 1.241 -14.167 -0.048 1.00 0.00 C ATOM 575 C CYS B 19 1.001 -15.203 -1.142 1.00 0.00 C ATOM 576 O CYS B 19 0.016 -15.914 -1.126 1.00 0.00 O ATOM 577 CB CYS B 19 -0.112 -13.710 0.493 1.00 0.00 C ATOM 578 SG CYS B 19 -0.012 -12.004 1.083 1.00 0.00 S ATOM 0 H CYS B 19 1.451 -12.369 -1.185 1.00 0.00 H new ATOM 0 HA CYS B 19 1.833 -14.609 0.754 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -0.868 -13.787 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.426 -14.365 1.306 1.00 0.00 H new ATOM 583 N GLY B 20 1.883 -15.300 -2.091 1.00 0.00 N ATOM 584 CA GLY B 20 1.687 -16.301 -3.177 1.00 0.00 C ATOM 585 C GLY B 20 1.816 -17.715 -2.602 1.00 0.00 C ATOM 586 O GLY B 20 2.657 -18.488 -3.016 1.00 0.00 O ATOM 0 H GLY B 20 2.728 -14.734 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY B 20 0.705 -16.171 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.426 -16.149 -3.964 1.00 0.00 H new ATOM 590 N GLU B 21 0.987 -18.066 -1.650 1.00 0.00 N ATOM 591 CA GLU B 21 1.073 -19.434 -1.061 1.00 0.00 C ATOM 592 C GLU B 21 0.085 -19.579 0.103 1.00 0.00 C ATOM 593 O GLU B 21 -0.884 -20.306 0.017 1.00 0.00 O ATOM 594 CB GLU B 21 2.497 -19.679 -0.554 1.00 0.00 C ATOM 595 CG GLU B 21 2.901 -21.127 -0.844 1.00 0.00 C ATOM 596 CD GLU B 21 4.194 -21.148 -1.664 1.00 0.00 C ATOM 597 OE1 GLU B 21 4.763 -20.088 -1.868 1.00 0.00 O ATOM 598 OE2 GLU B 21 4.594 -22.225 -2.074 1.00 0.00 O ATOM 0 H GLU B 21 0.260 -17.467 -1.259 1.00 0.00 H new ATOM 0 HA GLU B 21 0.821 -20.166 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.190 -18.993 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.552 -19.483 0.517 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.043 -21.669 0.091 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.105 -21.635 -1.389 1.00 0.00 H new ATOM 605 N ARG B 22 0.324 -18.899 1.192 1.00 0.00 N ATOM 606 CA ARG B 22 -0.600 -19.009 2.360 1.00 0.00 C ATOM 607 C ARG B 22 -2.012 -18.631 1.924 1.00 0.00 C ATOM 608 O ARG B 22 -2.978 -19.287 2.259 1.00 0.00 O ATOM 609 CB ARG B 22 -0.146 -18.056 3.470 1.00 0.00 C ATOM 610 CG ARG B 22 1.381 -18.051 3.563 1.00 0.00 C ATOM 611 CD ARG B 22 1.901 -19.489 3.534 1.00 0.00 C ATOM 612 NE ARG B 22 3.286 -19.527 4.080 1.00 0.00 N ATOM 613 CZ ARG B 22 4.173 -18.663 3.670 1.00 0.00 C ATOM 614 NH1 ARG B 22 4.096 -18.172 2.463 1.00 0.00 N ATOM 615 NH2 ARG B 22 5.136 -18.288 4.466 1.00 0.00 N ATOM 0 H ARG B 22 1.118 -18.272 1.324 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.589 -20.033 2.733 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.510 -17.049 3.267 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.576 -18.364 4.423 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.804 -17.484 2.734 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.698 -17.557 4.482 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.249 -20.135 4.122 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.891 -19.870 2.513 1.00 0.00 H new ATOM 0 HE ARG B 22 3.541 -20.229 4.775 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.342 -18.464 1.841 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.789 -17.496 2.142 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.196 -18.670 5.410 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.829 -17.612 4.145 1.00 0.00 H new ATOM 629 N GLY B 23 -2.133 -17.572 1.181 1.00 0.00 N ATOM 630 CA GLY B 23 -3.477 -17.133 0.716 1.00 0.00 C ATOM 631 C GLY B 23 -3.405 -15.663 0.309 1.00 0.00 C ATOM 632 O GLY B 23 -2.361 -15.180 -0.075 1.00 0.00 O ATOM 0 H GLY B 23 -1.356 -16.987 0.873 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.801 -17.742 -0.128 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.213 -17.269 1.509 1.00 0.00 H new ATOM 636 N PHE B 24 -4.502 -14.950 0.394 1.00 0.00 N ATOM 637 CA PHE B 24 -4.498 -13.503 0.009 1.00 0.00 C ATOM 638 C PHE B 24 -5.925 -13.071 -0.340 1.00 0.00 C ATOM 639 O PHE B 24 -6.615 -13.724 -1.099 1.00 0.00 O ATOM 640 CB PHE B 24 -3.574 -13.308 -1.205 1.00 0.00 C ATOM 641 CG PHE B 24 -3.924 -12.049 -1.964 1.00 0.00 C ATOM 642 CD1 PHE B 24 -4.246 -10.871 -1.277 1.00 0.00 C ATOM 643 CD2 PHE B 24 -3.913 -12.062 -3.365 1.00 0.00 C ATOM 644 CE1 PHE B 24 -4.556 -9.706 -1.994 1.00 0.00 C ATOM 645 CE2 PHE B 24 -4.223 -10.899 -4.081 1.00 0.00 C ATOM 646 CZ PHE B 24 -4.545 -9.721 -3.396 1.00 0.00 C ATOM 0 H PHE B 24 -5.402 -15.308 0.714 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.134 -12.895 0.838 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.537 -13.258 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.654 -14.169 -1.868 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.255 -10.860 -0.197 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.665 -12.971 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.803 -8.797 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.214 -10.911 -5.161 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.785 -8.824 -3.948 1.00 0.00 H new ATOM 656 N PHE B 25 -6.369 -11.972 0.205 1.00 0.00 N ATOM 657 CA PHE B 25 -7.745 -11.490 -0.096 1.00 0.00 C ATOM 658 C PHE B 25 -7.773 -9.964 -0.028 1.00 0.00 C ATOM 659 O PHE B 25 -7.559 -9.376 1.014 1.00 0.00 O ATOM 660 CB PHE B 25 -8.727 -12.062 0.927 1.00 0.00 C ATOM 661 CG PHE B 25 -8.698 -13.569 0.865 1.00 0.00 C ATOM 662 CD1 PHE B 25 -9.198 -14.232 -0.263 1.00 0.00 C ATOM 663 CD2 PHE B 25 -8.173 -14.305 1.937 1.00 0.00 C ATOM 664 CE1 PHE B 25 -9.173 -15.632 -0.321 1.00 0.00 C ATOM 665 CE2 PHE B 25 -8.148 -15.706 1.878 1.00 0.00 C ATOM 666 CZ PHE B 25 -8.649 -16.369 0.749 1.00 0.00 C ATOM 0 H PHE B 25 -5.836 -11.386 0.848 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.033 -11.818 -1.095 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.463 -11.724 1.929 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.734 -11.698 0.723 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.603 -13.664 -1.088 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.788 -13.794 2.807 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.558 -16.143 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.743 -16.274 2.702 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.631 -17.448 0.704 1.00 0.00 H new ATOM 676 N TYR B 26 -8.033 -9.317 -1.130 1.00 0.00 N ATOM 677 CA TYR B 26 -8.072 -7.830 -1.127 1.00 0.00 C ATOM 678 C TYR B 26 -9.499 -7.356 -0.845 1.00 0.00 C ATOM 679 O TYR B 26 -10.416 -7.644 -1.588 1.00 0.00 O ATOM 680 CB TYR B 26 -7.623 -7.307 -2.490 1.00 0.00 C ATOM 681 CG TYR B 26 -7.504 -5.805 -2.432 1.00 0.00 C ATOM 682 CD1 TYR B 26 -6.614 -5.208 -1.529 1.00 0.00 C ATOM 683 CD2 TYR B 26 -8.285 -5.006 -3.278 1.00 0.00 C ATOM 684 CE1 TYR B 26 -6.505 -3.814 -1.473 1.00 0.00 C ATOM 685 CE2 TYR B 26 -8.175 -3.610 -3.222 1.00 0.00 C ATOM 686 CZ TYR B 26 -7.284 -3.015 -2.319 1.00 0.00 C ATOM 687 OH TYR B 26 -7.174 -1.642 -2.264 1.00 0.00 O ATOM 0 H TYR B 26 -8.220 -9.755 -2.032 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.404 -7.451 -0.353 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.665 -7.749 -2.765 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.340 -7.597 -3.258 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.012 -5.824 -0.877 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.972 -5.466 -3.973 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.819 -3.354 -0.777 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.776 -2.994 -3.874 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.783 -1.239 -2.917 1.00 0.00 H new ATOM 697 N THR B 27 -9.695 -6.631 0.222 1.00 0.00 N ATOM 698 CA THR B 27 -11.064 -6.143 0.547 1.00 0.00 C ATOM 699 C THR B 27 -11.261 -4.742 -0.039 1.00 0.00 C ATOM 700 O THR B 27 -10.710 -3.775 0.447 1.00 0.00 O ATOM 701 CB THR B 27 -11.241 -6.088 2.066 1.00 0.00 C ATOM 702 OG1 THR B 27 -10.702 -7.267 2.648 1.00 0.00 O ATOM 703 CG2 THR B 27 -12.728 -5.984 2.402 1.00 0.00 C ATOM 0 H THR B 27 -8.967 -6.356 0.882 1.00 0.00 H new ATOM 0 HA THR B 27 -11.801 -6.823 0.119 1.00 0.00 H new ATOM 0 HB THR B 27 -10.719 -5.217 2.463 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.813 -7.232 3.621 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.855 -5.945 3.484 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.139 -5.079 1.955 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.252 -6.854 2.007 1.00 0.00 H new ATOM 711 N LYS B 28 -12.044 -4.625 -1.077 1.00 0.00 N ATOM 712 CA LYS B 28 -12.275 -3.285 -1.688 1.00 0.00 C ATOM 713 C LYS B 28 -12.871 -2.344 -0.633 1.00 0.00 C ATOM 714 O LYS B 28 -13.751 -2.734 0.110 1.00 0.00 O ATOM 715 CB LYS B 28 -13.246 -3.422 -2.864 1.00 0.00 C ATOM 716 CG LYS B 28 -14.608 -3.896 -2.354 1.00 0.00 C ATOM 717 CD LYS B 28 -15.606 -3.919 -3.513 1.00 0.00 C ATOM 718 CE LYS B 28 -17.016 -4.152 -2.970 1.00 0.00 C ATOM 719 NZ LYS B 28 -17.065 -5.460 -2.261 1.00 0.00 N ATOM 0 H LYS B 28 -12.533 -5.398 -1.528 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.330 -2.877 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.351 -2.465 -3.375 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.853 -4.131 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.519 -4.891 -1.917 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -14.964 -3.232 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.567 -2.976 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.342 -4.707 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -17.293 -3.347 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -17.738 -4.142 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -18.056 -5.747 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.568 -6.179 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.606 -5.369 -1.332 1.00 0.00 H new ATOM 733 N PRO B 29 -12.374 -1.132 -0.596 1.00 0.00 N ATOM 734 CA PRO B 29 -12.837 -0.112 0.363 1.00 0.00 C ATOM 735 C PRO B 29 -14.157 0.506 -0.107 1.00 0.00 C ATOM 736 O PRO B 29 -14.748 1.322 0.572 1.00 0.00 O ATOM 737 CB PRO B 29 -11.713 0.929 0.350 1.00 0.00 C ATOM 738 CG PRO B 29 -10.967 0.749 -0.994 1.00 0.00 C ATOM 739 CD PRO B 29 -11.305 -0.666 -1.502 1.00 0.00 C ATOM 0 HA PRO B 29 -13.028 -0.515 1.358 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.117 1.938 0.438 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.037 0.781 1.192 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.281 1.504 -1.715 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.892 0.865 -0.858 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.642 -0.647 -2.538 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.435 -1.322 -1.462 1.00 0.00 H new ATOM 747 N THR B 30 -14.626 0.122 -1.262 1.00 0.00 N ATOM 748 CA THR B 30 -15.907 0.687 -1.770 1.00 0.00 C ATOM 749 C THR B 30 -15.762 2.200 -1.949 1.00 0.00 C ATOM 750 O THR B 30 -16.780 2.870 -2.006 1.00 0.00 O ATOM 751 CB THR B 30 -17.020 0.398 -0.765 1.00 0.00 C ATOM 752 OG1 THR B 30 -16.554 -0.541 0.193 1.00 0.00 O ATOM 753 CG2 THR B 30 -18.234 -0.175 -1.500 1.00 0.00 C ATOM 754 OXT THR B 30 -14.636 2.663 -2.026 1.00 0.00 O ATOM 0 H THR B 30 -14.178 -0.558 -1.876 1.00 0.00 H new ATOM 0 HA THR B 30 -16.153 0.230 -2.729 1.00 0.00 H new ATOM 0 HB THR B 30 -17.307 1.320 -0.260 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.265 -0.728 0.841 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.029 -0.382 -0.783 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.588 0.547 -2.236 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.951 -1.099 -2.005 1.00 0.00 H new TER 762 THR B 30