USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 378 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 12 SER OG : rot 180:sc= 0.239 USER MOD Set 1.2: A 15 GLN : amide:sc=-0.00822 X(o=0.23,f=0.24) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 4 GLN : amide:sc= -0.0057 K(o=-0.0057,f=-1.8!) USER MOD Single : B 5 HIS : no HD1:sc= -7.24! C(o=-7.2!,f=-5.1!) 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 120:sc= -1.03 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -50:sc= 0.637 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.628 7.400 5.014 1.00 0.00 N ATOM 2 CA GLY A 1 -1.235 6.222 4.122 1.00 0.00 C ATOM 3 C GLY A 1 0.183 6.065 3.697 1.00 0.00 C ATOM 4 O GLY A 1 1.064 6.753 4.173 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.648 7.359 5.214 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.097 7.351 5.907 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.407 8.292 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.523 5.308 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.842 6.280 3.219 1.00 0.00 H new ATOM 10 N ILE A 2 0.441 5.172 2.782 1.00 0.00 N ATOM 11 CA ILE A 2 1.835 4.976 2.303 1.00 0.00 C ATOM 12 C ILE A 2 1.942 5.584 0.907 1.00 0.00 C ATOM 13 O ILE A 2 2.919 6.212 0.554 1.00 0.00 O ATOM 14 CB ILE A 2 2.163 3.477 2.264 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.681 3.282 2.328 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.622 2.850 0.976 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.364 4.233 1.343 1.00 0.00 C ATOM 0 H ILE A 2 -0.256 4.569 2.345 1.00 0.00 H new ATOM 0 HA ILE A 2 2.545 5.461 2.974 1.00 0.00 H new ATOM 0 HB ILE A 2 1.694 2.991 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.040 3.472 3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.935 2.250 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.861 1.787 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.540 2.979 0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.079 3.337 0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.444 4.092 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.015 4.022 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.121 5.263 1.604 1.00 0.00 H new ATOM 29 N VAL A 3 0.918 5.406 0.124 1.00 0.00 N ATOM 30 CA VAL A 3 0.908 5.967 -1.249 1.00 0.00 C ATOM 31 C VAL A 3 1.291 7.449 -1.188 1.00 0.00 C ATOM 32 O VAL A 3 1.724 8.028 -2.165 1.00 0.00 O ATOM 33 CB VAL A 3 -0.504 5.805 -1.827 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.748 6.833 -2.930 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.656 4.397 -2.405 1.00 0.00 C ATOM 0 H VAL A 3 0.078 4.889 0.382 1.00 0.00 H new ATOM 0 HA VAL A 3 1.624 5.445 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.232 5.961 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.754 6.705 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.645 7.838 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.019 6.690 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.658 4.279 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.080 4.246 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.498 3.661 -1.617 1.00 0.00 H new ATOM 45 N GLU A 4 1.129 8.069 -0.052 1.00 0.00 N ATOM 46 CA GLU A 4 1.479 9.511 0.061 1.00 0.00 C ATOM 47 C GLU A 4 2.811 9.664 0.802 1.00 0.00 C ATOM 48 O GLU A 4 3.638 10.475 0.443 1.00 0.00 O ATOM 49 CB GLU A 4 0.377 10.241 0.831 1.00 0.00 C ATOM 50 CG GLU A 4 -0.984 9.663 0.437 1.00 0.00 C ATOM 51 CD GLU A 4 -2.095 10.439 1.144 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.248 11.615 0.854 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.775 9.846 1.966 1.00 0.00 O ATOM 0 H GLU A 4 0.770 7.640 0.801 1.00 0.00 H new ATOM 0 HA GLU A 4 1.573 9.940 -0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.534 10.132 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.409 11.308 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.116 9.722 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.035 8.608 0.707 1.00 0.00 H new ATOM 60 N GLN A 5 3.024 8.894 1.833 1.00 0.00 N ATOM 61 CA GLN A 5 4.304 9.005 2.593 1.00 0.00 C ATOM 62 C GLN A 5 5.494 8.883 1.637 1.00 0.00 C ATOM 63 O GLN A 5 6.398 9.694 1.651 1.00 0.00 O ATOM 64 CB GLN A 5 4.373 7.888 3.636 1.00 0.00 C ATOM 65 CG GLN A 5 5.042 8.415 4.906 1.00 0.00 C ATOM 66 CD GLN A 5 3.992 8.583 6.006 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.996 9.252 5.813 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.173 8.000 7.159 1.00 0.00 N ATOM 0 H GLN A 5 2.370 8.194 2.183 1.00 0.00 H new ATOM 0 HA GLN A 5 4.343 9.975 3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.370 7.527 3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.935 7.042 3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.819 7.724 5.233 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.528 9.370 4.704 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.009 7.438 7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.478 8.106 7.899 1.00 0.00 H new ATOM 77 N CYS A 6 5.504 7.873 0.812 1.00 0.00 N ATOM 78 CA CYS A 6 6.640 7.693 -0.139 1.00 0.00 C ATOM 79 C CYS A 6 6.468 8.605 -1.355 1.00 0.00 C ATOM 80 O CYS A 6 7.428 9.016 -1.973 1.00 0.00 O ATOM 81 CB CYS A 6 6.681 6.240 -0.610 1.00 0.00 C ATOM 82 SG CYS A 6 7.979 5.324 0.266 1.00 0.00 S ATOM 0 H CYS A 6 4.774 7.163 0.754 1.00 0.00 H new ATOM 0 HA CYS A 6 7.568 7.950 0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.714 5.768 -0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.864 6.205 -1.684 1.00 0.00 H new ATOM 87 N CYS A 7 5.257 8.910 -1.717 1.00 0.00 N ATOM 88 CA CYS A 7 5.039 9.779 -2.910 1.00 0.00 C ATOM 89 C CYS A 7 5.085 11.257 -2.511 1.00 0.00 C ATOM 90 O CYS A 7 5.209 12.128 -3.349 1.00 0.00 O ATOM 91 CB CYS A 7 3.683 9.453 -3.538 1.00 0.00 C ATOM 92 SG CYS A 7 3.786 9.674 -5.331 1.00 0.00 S ATOM 0 H CYS A 7 4.409 8.598 -1.243 1.00 0.00 H new ATOM 0 HA CYS A 7 5.831 9.590 -3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.397 8.428 -3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.912 10.102 -3.124 1.00 0.00 H new ATOM 97 N THR A 8 4.998 11.553 -1.244 1.00 0.00 N ATOM 98 CA THR A 8 5.049 12.980 -0.812 1.00 0.00 C ATOM 99 C THR A 8 6.282 13.193 0.067 1.00 0.00 C ATOM 100 O THR A 8 6.767 14.296 0.224 1.00 0.00 O ATOM 101 CB THR A 8 3.775 13.333 -0.030 1.00 0.00 C ATOM 102 OG1 THR A 8 3.602 14.743 -0.028 1.00 0.00 O ATOM 103 CG2 THR A 8 3.883 12.832 1.413 1.00 0.00 C ATOM 0 H THR A 8 4.894 10.873 -0.491 1.00 0.00 H new ATOM 0 HA THR A 8 5.112 13.627 -1.687 1.00 0.00 H new ATOM 0 HB THR A 8 2.920 12.854 -0.508 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.789 14.972 0.469 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.974 13.089 1.956 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.013 11.750 1.414 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.740 13.300 1.898 1.00 0.00 H new ATOM 111 N SER A 9 6.793 12.139 0.636 1.00 0.00 N ATOM 112 CA SER A 9 7.997 12.261 1.503 1.00 0.00 C ATOM 113 C SER A 9 8.970 11.130 1.165 1.00 0.00 C ATOM 114 O SER A 9 9.036 10.673 0.042 1.00 0.00 O ATOM 115 CB SER A 9 7.584 12.159 2.971 1.00 0.00 C ATOM 116 OG SER A 9 8.371 13.057 3.743 1.00 0.00 O ATOM 0 H SER A 9 6.426 11.192 0.537 1.00 0.00 H new ATOM 0 HA SER A 9 8.478 13.224 1.333 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.526 12.398 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.719 11.138 3.329 1.00 0.00 H new ATOM 0 HG SER A 9 8.108 12.996 4.685 1.00 0.00 H new ATOM 122 N ILE A 10 9.723 10.671 2.125 1.00 0.00 N ATOM 123 CA ILE A 10 10.685 9.569 1.846 1.00 0.00 C ATOM 124 C ILE A 10 10.471 8.434 2.847 1.00 0.00 C ATOM 125 O ILE A 10 10.077 8.653 3.977 1.00 0.00 O ATOM 126 CB ILE A 10 12.122 10.085 1.979 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.430 11.086 0.859 1.00 0.00 C ATOM 128 CG2 ILE A 10 13.091 8.908 1.885 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.740 12.416 1.161 1.00 0.00 C ATOM 0 H ILE A 10 9.714 11.010 3.087 1.00 0.00 H new ATOM 0 HA ILE A 10 10.520 9.204 0.832 1.00 0.00 H new ATOM 0 HB ILE A 10 12.234 10.583 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.507 11.234 0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.086 10.694 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.114 9.271 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.882 8.200 2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.969 8.412 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.958 13.128 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.663 12.261 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.106 12.809 2.110 1.00 0.00 H new ATOM 141 N CYS A 11 10.741 7.223 2.445 1.00 0.00 N ATOM 142 CA CYS A 11 10.567 6.072 3.378 1.00 0.00 C ATOM 143 C CYS A 11 11.845 5.229 3.361 1.00 0.00 C ATOM 144 O CYS A 11 12.512 5.121 2.351 1.00 0.00 O ATOM 145 CB CYS A 11 9.376 5.207 2.941 1.00 0.00 C ATOM 146 SG CYS A 11 8.146 6.217 2.071 1.00 0.00 S ATOM 0 H CYS A 11 11.074 6.980 1.512 1.00 0.00 H new ATOM 0 HA CYS A 11 10.375 6.446 4.384 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.721 4.403 2.291 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.920 4.738 3.813 1.00 0.00 H new ATOM 151 N SER A 12 12.200 4.638 4.469 1.00 0.00 N ATOM 152 CA SER A 12 13.444 3.814 4.503 1.00 0.00 C ATOM 153 C SER A 12 13.099 2.347 4.247 1.00 0.00 C ATOM 154 O SER A 12 12.034 1.879 4.596 1.00 0.00 O ATOM 155 CB SER A 12 14.106 3.950 5.875 1.00 0.00 C ATOM 156 OG SER A 12 13.644 2.908 6.724 1.00 0.00 O ATOM 0 H SER A 12 11.686 4.689 5.349 1.00 0.00 H new ATOM 0 HA SER A 12 14.129 4.163 3.730 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.190 3.900 5.775 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.871 4.921 6.311 1.00 0.00 H new ATOM 0 HG SER A 12 14.067 2.991 7.604 1.00 0.00 H new ATOM 162 N LEU A 13 13.996 1.614 3.641 1.00 0.00 N ATOM 163 CA LEU A 13 13.722 0.175 3.366 1.00 0.00 C ATOM 164 C LEU A 13 13.096 -0.460 4.607 1.00 0.00 C ATOM 165 O LEU A 13 11.996 -0.975 4.561 1.00 0.00 O ATOM 166 CB LEU A 13 15.032 -0.543 3.031 1.00 0.00 C ATOM 167 CG LEU A 13 15.507 -0.118 1.641 1.00 0.00 C ATOM 168 CD1 LEU A 13 16.475 1.060 1.770 1.00 0.00 C ATOM 169 CD2 LEU A 13 16.221 -1.291 0.966 1.00 0.00 C ATOM 0 H LEU A 13 14.906 1.951 3.325 1.00 0.00 H new ATOM 0 HA LEU A 13 13.038 0.087 2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.791 -0.303 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.885 -1.623 3.062 1.00 0.00 H new ATOM 0 HG LEU A 13 14.648 0.181 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.814 1.363 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.968 1.896 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 13 17.334 0.761 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.560 -0.989 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.079 -1.589 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.533 -2.131 0.874 1.00 0.00 H new ATOM 181 N TYR A 14 13.780 -0.419 5.719 1.00 0.00 N ATOM 182 CA TYR A 14 13.206 -1.011 6.959 1.00 0.00 C ATOM 183 C TYR A 14 11.754 -0.556 7.079 1.00 0.00 C ATOM 184 O TYR A 14 10.874 -1.323 7.418 1.00 0.00 O ATOM 185 CB TYR A 14 14.000 -0.531 8.175 1.00 0.00 C ATOM 186 CG TYR A 14 14.014 -1.616 9.226 1.00 0.00 C ATOM 187 CD1 TYR A 14 14.798 -2.762 9.040 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.241 -1.476 10.386 1.00 0.00 C ATOM 189 CE1 TYR A 14 14.810 -3.768 10.014 1.00 0.00 C ATOM 190 CE2 TYR A 14 13.253 -2.482 11.361 1.00 0.00 C ATOM 191 CZ TYR A 14 14.037 -3.628 11.176 1.00 0.00 C ATOM 192 OH TYR A 14 14.048 -4.620 12.135 1.00 0.00 O ATOM 0 H TYR A 14 14.706 -0.003 5.821 1.00 0.00 H new ATOM 0 HA TYR A 14 13.256 -2.099 6.915 1.00 0.00 H new ATOM 0 HB2 TYR A 14 15.019 -0.281 7.882 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.553 0.377 8.580 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.393 -2.870 8.145 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.636 -0.593 10.529 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.414 -4.652 9.871 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.658 -2.374 12.256 1.00 0.00 H new ATOM 0 HH TYR A 14 13.459 -4.365 12.876 1.00 0.00 H new ATOM 202 N GLN A 15 11.495 0.688 6.780 1.00 0.00 N ATOM 203 CA GLN A 15 10.101 1.197 6.849 1.00 0.00 C ATOM 204 C GLN A 15 9.310 0.590 5.692 1.00 0.00 C ATOM 205 O GLN A 15 8.177 0.175 5.843 1.00 0.00 O ATOM 206 CB GLN A 15 10.105 2.720 6.711 1.00 0.00 C ATOM 207 CG GLN A 15 10.520 3.355 8.038 1.00 0.00 C ATOM 208 CD GLN A 15 10.428 4.879 7.929 1.00 0.00 C ATOM 209 OE1 GLN A 15 9.346 5.433 7.903 1.00 0.00 O ATOM 210 NE2 GLN A 15 11.524 5.585 7.861 1.00 0.00 N ATOM 0 H GLN A 15 12.193 1.373 6.490 1.00 0.00 H new ATOM 0 HA GLN A 15 9.650 0.924 7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.793 3.022 5.921 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.114 3.072 6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.875 2.998 8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.538 3.059 8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.432 5.121 7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.472 6.601 7.786 1.00 0.00 H new ATOM 219 N LEU A 16 9.910 0.534 4.535 1.00 0.00 N ATOM 220 CA LEU A 16 9.216 -0.046 3.357 1.00 0.00 C ATOM 221 C LEU A 16 9.004 -1.542 3.583 1.00 0.00 C ATOM 222 O LEU A 16 8.178 -2.167 2.947 1.00 0.00 O ATOM 223 CB LEU A 16 10.080 0.163 2.111 1.00 0.00 C ATOM 224 CG LEU A 16 9.197 0.607 0.948 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.082 2.131 0.942 1.00 0.00 C ATOM 226 CD2 LEU A 16 9.818 0.138 -0.371 1.00 0.00 C ATOM 0 H LEU A 16 10.857 0.868 4.357 1.00 0.00 H new ATOM 0 HA LEU A 16 8.251 0.442 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.845 0.914 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.598 -0.761 1.856 1.00 0.00 H new ATOM 0 HG LEU A 16 8.205 0.170 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.451 2.445 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.640 2.466 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.073 2.570 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.188 0.454 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.811 0.574 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.898 -0.949 -0.369 1.00 0.00 H new ATOM 238 N GLU A 17 9.745 -2.122 4.485 1.00 0.00 N ATOM 239 CA GLU A 17 9.586 -3.578 4.750 1.00 0.00 C ATOM 240 C GLU A 17 8.372 -3.804 5.644 1.00 0.00 C ATOM 241 O GLU A 17 7.821 -4.886 5.697 1.00 0.00 O ATOM 242 CB GLU A 17 10.842 -4.119 5.436 1.00 0.00 C ATOM 243 CG GLU A 17 12.014 -4.085 4.453 1.00 0.00 C ATOM 244 CD GLU A 17 13.174 -4.912 5.010 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.965 -6.085 5.274 1.00 0.00 O ATOM 246 OE2 GLU A 17 14.250 -4.359 5.163 1.00 0.00 O ATOM 0 H GLU A 17 10.453 -1.651 5.049 1.00 0.00 H new ATOM 0 HA GLU A 17 9.441 -4.103 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.075 -3.521 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.671 -5.139 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.703 -4.481 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.334 -3.056 4.288 1.00 0.00 H new ATOM 253 N ASN A 18 7.932 -2.787 6.328 1.00 0.00 N ATOM 254 CA ASN A 18 6.733 -2.944 7.192 1.00 0.00 C ATOM 255 C ASN A 18 5.490 -2.974 6.300 1.00 0.00 C ATOM 256 O ASN A 18 4.375 -3.086 6.768 1.00 0.00 O ATOM 257 CB ASN A 18 6.639 -1.758 8.152 1.00 0.00 C ATOM 258 CG ASN A 18 7.165 -2.170 9.528 1.00 0.00 C ATOM 259 OD1 ASN A 18 6.530 -2.930 10.232 1.00 0.00 O ATOM 260 ND2 ASN A 18 8.308 -1.698 9.945 1.00 0.00 N ATOM 0 H ASN A 18 8.350 -1.857 6.326 1.00 0.00 H new ATOM 0 HA ASN A 18 6.805 -3.867 7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.217 -0.918 7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.605 -1.423 8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.667 -1.967 10.861 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.842 -1.060 9.355 1.00 0.00 H new ATOM 267 N TYR A 19 5.680 -2.863 5.010 1.00 0.00 N ATOM 268 CA TYR A 19 4.531 -2.867 4.075 1.00 0.00 C ATOM 269 C TYR A 19 4.470 -4.207 3.339 1.00 0.00 C ATOM 270 O TYR A 19 3.637 -4.417 2.477 1.00 0.00 O ATOM 271 CB TYR A 19 4.728 -1.734 3.074 1.00 0.00 C ATOM 272 CG TYR A 19 4.651 -0.411 3.808 1.00 0.00 C ATOM 273 CD1 TYR A 19 5.814 0.160 4.346 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.418 0.242 3.962 1.00 0.00 C ATOM 275 CE1 TYR A 19 5.747 1.378 5.032 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.352 1.462 4.649 1.00 0.00 C ATOM 277 CZ TYR A 19 4.516 2.030 5.184 1.00 0.00 C ATOM 278 OH TYR A 19 4.449 3.230 5.860 1.00 0.00 O ATOM 0 H TYR A 19 6.594 -2.769 4.567 1.00 0.00 H new ATOM 0 HA TYR A 19 3.598 -2.727 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.693 -1.834 2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.964 -1.780 2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.763 -0.342 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.520 -0.196 3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.644 1.815 5.444 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.403 1.965 4.766 1.00 0.00 H new ATOM 0 HH TYR A 19 3.522 3.547 5.873 1.00 0.00 H new ATOM 288 N CYS A 20 5.346 -5.116 3.667 1.00 0.00 N ATOM 289 CA CYS A 20 5.334 -6.435 2.982 1.00 0.00 C ATOM 290 C CYS A 20 4.443 -7.406 3.761 1.00 0.00 C ATOM 291 O CYS A 20 4.583 -7.566 4.958 1.00 0.00 O ATOM 292 CB CYS A 20 6.756 -6.994 2.909 1.00 0.00 C ATOM 293 SG CYS A 20 7.927 -5.658 2.571 1.00 0.00 S ATOM 0 H CYS A 20 6.068 -5.001 4.379 1.00 0.00 H new ATOM 0 HA CYS A 20 4.944 -6.312 1.972 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.012 -7.484 3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.819 -7.751 2.127 1.00 0.00 H new ATOM 298 N ASN A 21 3.529 -8.056 3.093 1.00 0.00 N ATOM 299 CA ASN A 21 2.632 -9.014 3.798 1.00 0.00 C ATOM 300 C ASN A 21 3.475 -10.052 4.540 1.00 0.00 C ATOM 301 O ASN A 21 2.894 -10.884 5.216 1.00 0.00 O ATOM 302 CB ASN A 21 1.739 -9.720 2.775 1.00 0.00 C ATOM 303 CG ASN A 21 0.337 -9.901 3.360 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.443 -8.971 3.400 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.018 -11.069 3.820 1.00 0.00 N ATOM 306 OXT ASN A 21 4.689 -9.996 4.422 1.00 0.00 O ATOM 0 H ASN A 21 3.365 -7.965 2.090 1.00 0.00 H new ATOM 0 HA ASN A 21 2.012 -8.473 4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.689 -9.136 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.163 -10.689 2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.950 -11.201 4.213 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.636 -11.851 3.787 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 19.667 1.770 -2.303 1.00 0.00 N ATOM 315 CA PHE B 1 18.486 2.670 -2.174 1.00 0.00 C ATOM 316 C PHE B 1 18.721 3.657 -1.029 1.00 0.00 C ATOM 317 O PHE B 1 19.132 3.284 0.051 1.00 0.00 O ATOM 318 CB PHE B 1 17.238 1.835 -1.879 1.00 0.00 C ATOM 319 CG PHE B 1 16.639 1.352 -3.179 1.00 0.00 C ATOM 320 CD1 PHE B 1 15.920 2.238 -3.992 1.00 0.00 C ATOM 321 CD2 PHE B 1 16.803 0.016 -3.571 1.00 0.00 C ATOM 322 CE1 PHE B 1 15.365 1.789 -5.197 1.00 0.00 C ATOM 323 CE2 PHE B 1 16.247 -0.432 -4.777 1.00 0.00 C ATOM 324 CZ PHE B 1 15.528 0.455 -5.590 1.00 0.00 C ATOM 0 H1 PHE B 1 19.508 1.099 -3.081 1.00 0.00 H new ATOM 0 H2 PHE B 1 20.516 2.337 -2.503 1.00 0.00 H new ATOM 0 H3 PHE B 1 19.802 1.245 -1.415 1.00 0.00 H new ATOM 0 HA PHE B 1 18.344 3.219 -3.105 1.00 0.00 H new ATOM 0 HB2 PHE B 1 17.496 0.985 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE B 1 16.510 2.431 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE B 1 15.794 3.267 -3.690 1.00 0.00 H new ATOM 0 HD2 PHE B 1 17.357 -0.667 -2.944 1.00 0.00 H new ATOM 0 HE1 PHE B 1 14.811 2.472 -5.824 1.00 0.00 H new ATOM 0 HE2 PHE B 1 16.373 -1.461 -5.080 1.00 0.00 H new ATOM 0 HZ PHE B 1 15.100 0.110 -6.519 1.00 0.00 H new ATOM 336 N VAL B 2 18.462 4.916 -1.258 1.00 0.00 N ATOM 337 CA VAL B 2 18.670 5.927 -0.183 1.00 0.00 C ATOM 338 C VAL B 2 17.396 6.755 -0.009 1.00 0.00 C ATOM 339 O VAL B 2 16.411 6.544 -0.688 1.00 0.00 O ATOM 340 CB VAL B 2 19.831 6.846 -0.567 1.00 0.00 C ATOM 341 CG1 VAL B 2 21.107 6.017 -0.726 1.00 0.00 C ATOM 342 CG2 VAL B 2 19.510 7.545 -1.890 1.00 0.00 C ATOM 0 H VAL B 2 18.116 5.288 -2.143 1.00 0.00 H new ATOM 0 HA VAL B 2 18.903 5.421 0.754 1.00 0.00 H new ATOM 0 HB VAL B 2 19.978 7.592 0.214 1.00 0.00 H new ATOM 0 HG11 VAL B 2 21.934 6.672 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL B 2 21.336 5.517 0.215 1.00 0.00 H new ATOM 0 HG13 VAL B 2 20.961 5.271 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL B 2 20.336 8.200 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL B 2 19.364 6.798 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL B 2 18.601 8.135 -1.778 1.00 0.00 H new ATOM 352 N ASN B 3 17.407 7.696 0.895 1.00 0.00 N ATOM 353 CA ASN B 3 16.195 8.535 1.112 1.00 0.00 C ATOM 354 C ASN B 3 15.607 8.942 -0.238 1.00 0.00 C ATOM 355 O ASN B 3 16.191 9.709 -0.978 1.00 0.00 O ATOM 356 CB ASN B 3 16.571 9.787 1.907 1.00 0.00 C ATOM 357 CG ASN B 3 16.631 9.449 3.397 1.00 0.00 C ATOM 358 OD1 ASN B 3 15.641 9.545 4.094 1.00 0.00 O ATOM 359 ND2 ASN B 3 17.761 9.055 3.919 1.00 0.00 N ATOM 0 H ASN B 3 18.203 7.920 1.492 1.00 0.00 H new ATOM 0 HA ASN B 3 15.455 7.963 1.671 1.00 0.00 H new ATOM 0 HB2 ASN B 3 17.536 10.168 1.571 1.00 0.00 H new ATOM 0 HB3 ASN B 3 15.839 10.575 1.732 1.00 0.00 H new ATOM 0 HD21 ASN B 3 17.812 8.828 4.912 1.00 0.00 H new ATOM 0 HD22 ASN B 3 18.592 8.974 3.334 1.00 0.00 H new ATOM 366 N GLN B 4 14.458 8.422 -0.566 1.00 0.00 N ATOM 367 CA GLN B 4 13.832 8.761 -1.868 1.00 0.00 C ATOM 368 C GLN B 4 12.306 8.696 -1.744 1.00 0.00 C ATOM 369 O GLN B 4 11.770 8.188 -0.775 1.00 0.00 O ATOM 370 CB GLN B 4 14.305 7.744 -2.901 1.00 0.00 C ATOM 371 CG GLN B 4 13.442 7.840 -4.160 1.00 0.00 C ATOM 372 CD GLN B 4 14.026 6.940 -5.251 1.00 0.00 C ATOM 373 OE1 GLN B 4 15.122 6.433 -5.116 1.00 0.00 O ATOM 374 NE2 GLN B 4 13.335 6.719 -6.335 1.00 0.00 N ATOM 0 H GLN B 4 13.926 7.775 0.015 1.00 0.00 H new ATOM 0 HA GLN B 4 14.116 9.769 -2.170 1.00 0.00 H new ATOM 0 HB2 GLN B 4 15.350 7.926 -3.151 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.247 6.738 -2.486 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.419 7.540 -3.936 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.402 8.872 -4.508 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.415 7.144 -6.449 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.715 6.121 -7.069 1.00 0.00 H new ATOM 383 N HIS B 5 11.606 9.205 -2.723 1.00 0.00 N ATOM 384 CA HIS B 5 10.120 9.175 -2.681 1.00 0.00 C ATOM 385 C HIS B 5 9.613 8.065 -3.605 1.00 0.00 C ATOM 386 O HIS B 5 10.083 7.906 -4.714 1.00 0.00 O ATOM 387 CB HIS B 5 9.574 10.520 -3.165 1.00 0.00 C ATOM 388 CG HIS B 5 10.425 11.641 -2.630 1.00 0.00 C ATOM 389 ND1 HIS B 5 9.913 12.577 -1.757 1.00 0.00 N ATOM 390 CD2 HIS B 5 11.733 11.970 -2.862 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.907 13.435 -1.488 1.00 0.00 C ATOM 392 NE2 HIS B 5 12.039 13.104 -2.141 1.00 0.00 N ATOM 0 H HIS B 5 12.005 9.642 -3.554 1.00 0.00 H new ATOM 0 HA HIS B 5 9.785 8.988 -1.661 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.564 10.547 -4.255 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.543 10.644 -2.834 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.413 11.430 -3.504 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.813 14.286 -0.830 1.00 0.00 H new ATOM 0 HE2 HIS B 5 12.935 13.591 -2.108 1.00 0.00 H new ATOM 400 N LEU B 6 8.655 7.300 -3.162 1.00 0.00 N ATOM 401 CA LEU B 6 8.121 6.204 -4.020 1.00 0.00 C ATOM 402 C LEU B 6 6.648 6.474 -4.336 1.00 0.00 C ATOM 403 O LEU B 6 6.075 7.447 -3.888 1.00 0.00 O ATOM 404 CB LEU B 6 8.252 4.869 -3.282 1.00 0.00 C ATOM 405 CG LEU B 6 9.600 4.227 -3.617 1.00 0.00 C ATOM 406 CD1 LEU B 6 10.709 5.278 -3.527 1.00 0.00 C ATOM 407 CD2 LEU B 6 9.884 3.104 -2.618 1.00 0.00 C ATOM 0 H LEU B 6 8.219 7.385 -2.244 1.00 0.00 H new ATOM 0 HA LEU B 6 8.688 6.161 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.170 5.027 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.439 4.202 -3.569 1.00 0.00 H new ATOM 0 HG LEU B 6 9.568 3.823 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU B 6 11.667 4.817 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU B 6 10.506 6.082 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU B 6 10.744 5.684 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU B 6 10.844 2.643 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.915 3.514 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.096 2.354 -2.681 1.00 0.00 H new ATOM 419 N CYS B 7 6.032 5.619 -5.105 1.00 0.00 N ATOM 420 CA CYS B 7 4.598 5.827 -5.449 1.00 0.00 C ATOM 421 C CYS B 7 4.022 4.543 -6.039 1.00 0.00 C ATOM 422 O CYS B 7 4.752 3.636 -6.382 1.00 0.00 O ATOM 423 CB CYS B 7 4.471 6.953 -6.479 1.00 0.00 C ATOM 424 SG CYS B 7 3.021 7.965 -6.089 1.00 0.00 S ATOM 0 H CYS B 7 6.460 4.786 -5.510 1.00 0.00 H new ATOM 0 HA CYS B 7 4.050 6.095 -4.546 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.370 7.569 -6.473 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.377 6.535 -7.481 1.00 0.00 H new ATOM 429 N GLY B 8 2.714 4.485 -6.154 1.00 0.00 N ATOM 430 CA GLY B 8 2.004 3.288 -6.719 1.00 0.00 C ATOM 431 C GLY B 8 2.976 2.192 -7.163 1.00 0.00 C ATOM 432 O GLY B 8 3.253 1.263 -6.433 1.00 0.00 O ATOM 0 H GLY B 8 2.090 5.241 -5.871 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.323 2.885 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.395 3.597 -7.569 1.00 0.00 H new ATOM 436 N SER B 9 3.487 2.290 -8.359 1.00 0.00 N ATOM 437 CA SER B 9 4.429 1.244 -8.854 1.00 0.00 C ATOM 438 C SER B 9 5.738 1.311 -8.069 1.00 0.00 C ATOM 439 O SER B 9 6.137 0.351 -7.445 1.00 0.00 O ATOM 440 CB SER B 9 4.711 1.472 -10.339 1.00 0.00 C ATOM 441 OG SER B 9 5.630 0.490 -10.799 1.00 0.00 O ATOM 0 H SER B 9 3.294 3.047 -9.015 1.00 0.00 H new ATOM 0 HA SER B 9 3.978 0.261 -8.716 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.784 1.415 -10.910 1.00 0.00 H new ATOM 0 HB3 SER B 9 5.120 2.470 -10.494 1.00 0.00 H new ATOM 0 HG SER B 9 5.812 0.633 -11.751 1.00 0.00 H new ATOM 447 N ASP B 10 6.410 2.430 -8.087 1.00 0.00 N ATOM 448 CA ASP B 10 7.689 2.533 -7.328 1.00 0.00 C ATOM 449 C ASP B 10 7.478 1.926 -5.943 1.00 0.00 C ATOM 450 O ASP B 10 8.386 1.382 -5.345 1.00 0.00 O ATOM 451 CB ASP B 10 8.095 4.002 -7.193 1.00 0.00 C ATOM 452 CG ASP B 10 9.058 4.371 -8.323 1.00 0.00 C ATOM 453 OD1 ASP B 10 10.234 4.069 -8.196 1.00 0.00 O ATOM 454 OD2 ASP B 10 8.604 4.949 -9.297 1.00 0.00 O ATOM 0 H ASP B 10 6.131 3.272 -8.591 1.00 0.00 H new ATOM 0 HA ASP B 10 8.480 1.999 -7.854 1.00 0.00 H new ATOM 0 HB2 ASP B 10 7.212 4.639 -7.231 1.00 0.00 H new ATOM 0 HB3 ASP B 10 8.569 4.172 -6.226 1.00 0.00 H new ATOM 459 N LEU B 11 6.276 1.995 -5.440 1.00 0.00 N ATOM 460 CA LEU B 11 5.996 1.401 -4.109 1.00 0.00 C ATOM 461 C LEU B 11 5.963 -0.116 -4.268 1.00 0.00 C ATOM 462 O LEU B 11 6.625 -0.842 -3.554 1.00 0.00 O ATOM 463 CB LEU B 11 4.644 1.899 -3.597 1.00 0.00 C ATOM 464 CG LEU B 11 4.854 3.142 -2.734 1.00 0.00 C ATOM 465 CD1 LEU B 11 3.497 3.742 -2.365 1.00 0.00 C ATOM 466 CD2 LEU B 11 5.603 2.752 -1.457 1.00 0.00 C ATOM 0 H LEU B 11 5.478 2.438 -5.896 1.00 0.00 H new ATOM 0 HA LEU B 11 6.766 1.689 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.989 2.132 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.153 1.118 -3.016 1.00 0.00 H new ATOM 0 HG LEU B 11 5.437 3.877 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.647 4.629 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.962 4.017 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.914 3.008 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.754 3.637 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.019 2.018 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.570 2.323 -1.719 1.00 0.00 H new ATOM 478 N VAL B 12 5.221 -0.597 -5.229 1.00 0.00 N ATOM 479 CA VAL B 12 5.174 -2.062 -5.468 1.00 0.00 C ATOM 480 C VAL B 12 6.539 -2.484 -6.023 1.00 0.00 C ATOM 481 O VAL B 12 6.901 -3.644 -6.022 1.00 0.00 O ATOM 482 CB VAL B 12 4.045 -2.399 -6.474 1.00 0.00 C ATOM 483 CG1 VAL B 12 2.984 -1.299 -6.469 1.00 0.00 C ATOM 484 CG2 VAL B 12 4.602 -2.545 -7.895 1.00 0.00 C ATOM 0 H VAL B 12 4.646 -0.036 -5.857 1.00 0.00 H new ATOM 0 HA VAL B 12 4.964 -2.599 -4.543 1.00 0.00 H new ATOM 0 HB VAL B 12 3.598 -3.344 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL B 12 2.197 -1.549 -7.181 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.556 -1.211 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.441 -0.351 -6.752 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.789 -2.782 -8.582 1.00 0.00 H new ATOM 0 HG22 VAL B 12 5.073 -1.610 -8.199 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.340 -3.347 -7.916 1.00 0.00 H new ATOM 494 N GLU B 13 7.293 -1.527 -6.496 1.00 0.00 N ATOM 495 CA GLU B 13 8.634 -1.817 -7.057 1.00 0.00 C ATOM 496 C GLU B 13 9.636 -1.879 -5.908 1.00 0.00 C ATOM 497 O GLU B 13 10.347 -2.852 -5.743 1.00 0.00 O ATOM 498 CB GLU B 13 9.007 -0.697 -8.025 1.00 0.00 C ATOM 499 CG GLU B 13 8.887 -1.206 -9.462 1.00 0.00 C ATOM 500 CD GLU B 13 9.357 -0.121 -10.431 1.00 0.00 C ATOM 501 OE1 GLU B 13 10.136 0.721 -10.013 1.00 0.00 O ATOM 502 OE2 GLU B 13 8.930 -0.148 -11.573 1.00 0.00 O ATOM 0 H GLU B 13 7.027 -0.543 -6.515 1.00 0.00 H new ATOM 0 HA GLU B 13 8.638 -2.768 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.351 0.161 -7.876 1.00 0.00 H new ATOM 0 HB3 GLU B 13 10.025 -0.358 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.487 -2.107 -9.591 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.854 -1.477 -9.677 1.00 0.00 H new ATOM 509 N ALA B 14 9.680 -0.866 -5.088 1.00 0.00 N ATOM 510 CA ALA B 14 10.612 -0.908 -3.936 1.00 0.00 C ATOM 511 C ALA B 14 10.188 -2.088 -3.067 1.00 0.00 C ATOM 512 O ALA B 14 10.964 -2.975 -2.778 1.00 0.00 O ATOM 513 CB ALA B 14 10.513 0.391 -3.135 1.00 0.00 C ATOM 0 H ALA B 14 9.115 -0.020 -5.167 1.00 0.00 H new ATOM 0 HA ALA B 14 11.643 -1.019 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.201 0.351 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.773 1.234 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.494 0.515 -2.767 1.00 0.00 H new ATOM 519 N LEU B 15 8.938 -2.116 -2.690 1.00 0.00 N ATOM 520 CA LEU B 15 8.417 -3.242 -1.882 1.00 0.00 C ATOM 521 C LEU B 15 8.770 -4.544 -2.596 1.00 0.00 C ATOM 522 O LEU B 15 9.185 -5.515 -1.994 1.00 0.00 O ATOM 523 CB LEU B 15 6.898 -3.110 -1.800 1.00 0.00 C ATOM 524 CG LEU B 15 6.520 -2.099 -0.718 1.00 0.00 C ATOM 525 CD1 LEU B 15 5.354 -1.242 -1.211 1.00 0.00 C ATOM 526 CD2 LEU B 15 6.100 -2.844 0.550 1.00 0.00 C ATOM 0 H LEU B 15 8.252 -1.395 -2.913 1.00 0.00 H new ATOM 0 HA LEU B 15 8.847 -3.236 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.500 -2.791 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.452 -4.079 -1.576 1.00 0.00 H new ATOM 0 HG LEU B 15 7.377 -1.461 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU B 15 5.082 -0.520 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.649 -0.713 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.498 -1.882 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU B 15 5.830 -2.124 1.323 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.242 -3.480 0.331 1.00 0.00 H new ATOM 0 HD23 LEU B 15 6.928 -3.460 0.901 1.00 0.00 H new ATOM 538 N TYR B 16 8.602 -4.554 -3.887 1.00 0.00 N ATOM 539 CA TYR B 16 8.914 -5.765 -4.692 1.00 0.00 C ATOM 540 C TYR B 16 10.234 -6.383 -4.234 1.00 0.00 C ATOM 541 O TYR B 16 10.318 -7.563 -3.958 1.00 0.00 O ATOM 542 CB TYR B 16 9.055 -5.351 -6.156 1.00 0.00 C ATOM 543 CG TYR B 16 8.009 -6.053 -6.985 1.00 0.00 C ATOM 544 CD1 TYR B 16 7.712 -7.399 -6.743 1.00 0.00 C ATOM 545 CD2 TYR B 16 7.336 -5.356 -7.998 1.00 0.00 C ATOM 546 CE1 TYR B 16 6.740 -8.051 -7.513 1.00 0.00 C ATOM 547 CE2 TYR B 16 6.364 -6.007 -8.768 1.00 0.00 C ATOM 548 CZ TYR B 16 6.066 -7.356 -8.526 1.00 0.00 C ATOM 549 OH TYR B 16 5.108 -7.998 -9.285 1.00 0.00 O ATOM 0 H TYR B 16 8.256 -3.761 -4.427 1.00 0.00 H new ATOM 0 HA TYR B 16 8.114 -6.495 -4.566 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.944 -4.271 -6.251 1.00 0.00 H new ATOM 0 HB3 TYR B 16 10.051 -5.602 -6.521 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.232 -7.935 -5.963 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.567 -4.318 -8.185 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.510 -9.090 -7.326 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.844 -5.470 -9.548 1.00 0.00 H new ATOM 0 HH TYR B 16 4.738 -7.372 -9.942 1.00 0.00 H new ATOM 559 N LEU B 17 11.271 -5.599 -4.181 1.00 0.00 N ATOM 560 CA LEU B 17 12.599 -6.135 -3.775 1.00 0.00 C ATOM 561 C LEU B 17 12.679 -6.274 -2.252 1.00 0.00 C ATOM 562 O LEU B 17 12.927 -7.345 -1.734 1.00 0.00 O ATOM 563 CB LEU B 17 13.685 -5.179 -4.268 1.00 0.00 C ATOM 564 CG LEU B 17 14.937 -5.964 -4.661 1.00 0.00 C ATOM 565 CD1 LEU B 17 14.566 -7.069 -5.653 1.00 0.00 C ATOM 566 CD2 LEU B 17 15.939 -5.014 -5.318 1.00 0.00 C ATOM 0 H LEU B 17 11.257 -4.603 -4.403 1.00 0.00 H new ATOM 0 HA LEU B 17 12.742 -7.122 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.319 -4.611 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.928 -4.459 -3.487 1.00 0.00 H new ATOM 0 HG LEU B 17 15.377 -6.412 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU B 17 15.462 -7.625 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU B 17 13.847 -7.746 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.125 -6.624 -6.545 1.00 0.00 H new ATOM 0 HD21 LEU B 17 16.834 -5.568 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU B 17 15.491 -4.571 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU B 17 16.207 -4.225 -4.615 1.00 0.00 H new ATOM 578 N VAL B 18 12.484 -5.207 -1.526 1.00 0.00 N ATOM 579 CA VAL B 18 12.565 -5.303 -0.037 1.00 0.00 C ATOM 580 C VAL B 18 11.627 -6.406 0.455 1.00 0.00 C ATOM 581 O VAL B 18 11.910 -7.096 1.414 1.00 0.00 O ATOM 582 CB VAL B 18 12.156 -3.975 0.599 1.00 0.00 C ATOM 583 CG1 VAL B 18 13.378 -3.059 0.704 1.00 0.00 C ATOM 584 CG2 VAL B 18 11.086 -3.299 -0.257 1.00 0.00 C ATOM 0 H VAL B 18 12.274 -4.279 -1.894 1.00 0.00 H new ATOM 0 HA VAL B 18 13.591 -5.536 0.247 1.00 0.00 H new ATOM 0 HB VAL B 18 11.755 -4.163 1.595 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.085 -2.112 1.158 1.00 0.00 H new ATOM 0 HG12 VAL B 18 14.139 -3.537 1.321 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.781 -2.875 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.798 -2.353 0.201 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.482 -3.113 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL B 18 10.213 -3.948 -0.328 1.00 0.00 H new ATOM 594 N CYS B 19 10.517 -6.581 -0.202 1.00 0.00 N ATOM 595 CA CYS B 19 9.560 -7.642 0.211 1.00 0.00 C ATOM 596 C CYS B 19 9.844 -8.893 -0.615 1.00 0.00 C ATOM 597 O CYS B 19 10.102 -9.959 -0.091 1.00 0.00 O ATOM 598 CB CYS B 19 8.132 -7.167 -0.061 1.00 0.00 C ATOM 599 SG CYS B 19 7.928 -5.477 0.557 1.00 0.00 S ATOM 0 H CYS B 19 10.230 -6.032 -1.012 1.00 0.00 H new ATOM 0 HA CYS B 19 9.671 -7.859 1.273 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.924 -7.202 -1.130 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.418 -7.832 0.425 1.00 0.00 H new ATOM 604 N GLY B 20 9.816 -8.757 -1.909 1.00 0.00 N ATOM 605 CA GLY B 20 10.098 -9.916 -2.794 1.00 0.00 C ATOM 606 C GLY B 20 9.255 -11.122 -2.375 1.00 0.00 C ATOM 607 O GLY B 20 8.042 -11.090 -2.419 1.00 0.00 O ATOM 0 H GLY B 20 9.608 -7.885 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY B 20 9.880 -9.653 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.157 -10.170 -2.746 1.00 0.00 H new ATOM 611 N GLU B 21 9.893 -12.190 -1.977 1.00 0.00 N ATOM 612 CA GLU B 21 9.137 -13.407 -1.564 1.00 0.00 C ATOM 613 C GLU B 21 8.169 -13.065 -0.429 1.00 0.00 C ATOM 614 O GLU B 21 7.268 -13.820 -0.123 1.00 0.00 O ATOM 615 CB GLU B 21 10.119 -14.479 -1.086 1.00 0.00 C ATOM 616 CG GLU B 21 9.982 -15.725 -1.963 1.00 0.00 C ATOM 617 CD GLU B 21 8.734 -16.506 -1.549 1.00 0.00 C ATOM 618 OE1 GLU B 21 8.600 -16.789 -0.371 1.00 0.00 O ATOM 619 OE2 GLU B 21 7.932 -16.807 -2.419 1.00 0.00 O ATOM 0 H GLU B 21 10.908 -12.272 -1.920 1.00 0.00 H new ATOM 0 HA GLU B 21 8.570 -13.779 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.140 -14.099 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU B 21 9.920 -14.731 -0.044 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.913 -15.438 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.867 -16.353 -1.862 1.00 0.00 H new ATOM 626 N ARG B 22 8.342 -11.935 0.198 1.00 0.00 N ATOM 627 CA ARG B 22 7.425 -11.554 1.310 1.00 0.00 C ATOM 628 C ARG B 22 6.048 -11.200 0.743 1.00 0.00 C ATOM 629 O ARG B 22 5.123 -10.911 1.475 1.00 0.00 O ATOM 630 CB ARG B 22 7.995 -10.345 2.053 1.00 0.00 C ATOM 631 CG ARG B 22 8.812 -10.824 3.256 1.00 0.00 C ATOM 632 CD ARG B 22 9.841 -11.858 2.797 1.00 0.00 C ATOM 633 NE ARG B 22 10.879 -12.029 3.852 1.00 0.00 N ATOM 634 CZ ARG B 22 11.581 -11.002 4.248 1.00 0.00 C ATOM 635 NH1 ARG B 22 12.241 -10.287 3.378 1.00 0.00 N ATOM 636 NH2 ARG B 22 11.623 -10.690 5.515 1.00 0.00 N ATOM 0 H ARG B 22 9.077 -11.259 -0.010 1.00 0.00 H new ATOM 0 HA ARG B 22 7.328 -12.392 2.000 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.623 -9.757 1.384 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.186 -9.694 2.385 1.00 0.00 H new ATOM 0 HG2 ARG B 22 9.315 -9.979 3.727 1.00 0.00 H new ATOM 0 HG3 ARG B 22 8.152 -11.260 4.006 1.00 0.00 H new ATOM 0 HD2 ARG B 22 9.351 -12.811 2.597 1.00 0.00 H new ATOM 0 HD3 ARG B 22 10.305 -11.536 1.865 1.00 0.00 H new ATOM 0 HE ARG B 22 11.041 -12.948 4.265 1.00 0.00 H new ATOM 0 HH11 ARG B 22 12.208 -10.531 2.388 1.00 0.00 H new ATOM 0 HH12 ARG B 22 12.789 -9.485 3.688 1.00 0.00 H new ATOM 0 HH21 ARG B 22 11.107 -11.249 6.195 1.00 0.00 H new ATOM 0 HH22 ARG B 22 12.171 -9.888 5.825 1.00 0.00 H new ATOM 650 N GLY B 23 5.901 -11.216 -0.556 1.00 0.00 N ATOM 651 CA GLY B 23 4.580 -10.875 -1.156 1.00 0.00 C ATOM 652 C GLY B 23 4.082 -9.561 -0.558 1.00 0.00 C ATOM 653 O GLY B 23 3.276 -9.547 0.351 1.00 0.00 O ATOM 0 H GLY B 23 6.636 -11.450 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY B 23 4.671 -10.785 -2.238 1.00 0.00 H new ATOM 0 HA3 GLY B 23 3.862 -11.672 -0.962 1.00 0.00 H new ATOM 657 N PHE B 24 4.563 -8.454 -1.053 1.00 0.00 N ATOM 658 CA PHE B 24 4.123 -7.142 -0.504 1.00 0.00 C ATOM 659 C PHE B 24 2.688 -6.851 -0.944 1.00 0.00 C ATOM 660 O PHE B 24 2.202 -7.402 -1.913 1.00 0.00 O ATOM 661 CB PHE B 24 5.055 -6.040 -1.011 1.00 0.00 C ATOM 662 CG PHE B 24 4.790 -5.784 -2.474 1.00 0.00 C ATOM 663 CD1 PHE B 24 5.475 -6.522 -3.450 1.00 0.00 C ATOM 664 CD2 PHE B 24 3.861 -4.810 -2.855 1.00 0.00 C ATOM 665 CE1 PHE B 24 5.228 -6.284 -4.808 1.00 0.00 C ATOM 666 CE2 PHE B 24 3.613 -4.573 -4.213 1.00 0.00 C ATOM 667 CZ PHE B 24 4.296 -5.310 -5.190 1.00 0.00 C ATOM 0 H PHE B 24 5.241 -8.402 -1.813 1.00 0.00 H new ATOM 0 HA PHE B 24 4.160 -7.174 0.585 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.899 -5.126 -0.438 1.00 0.00 H new ATOM 0 HB3 PHE B 24 6.095 -6.334 -0.866 1.00 0.00 H new ATOM 0 HD1 PHE B 24 6.192 -7.273 -3.155 1.00 0.00 H new ATOM 0 HD2 PHE B 24 3.335 -4.241 -2.102 1.00 0.00 H new ATOM 0 HE1 PHE B 24 5.756 -6.851 -5.560 1.00 0.00 H new ATOM 0 HE2 PHE B 24 2.895 -3.822 -4.507 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.104 -5.127 -6.237 1.00 0.00 H new ATOM 677 N PHE B 25 2.006 -5.992 -0.237 1.00 0.00 N ATOM 678 CA PHE B 25 0.601 -5.670 -0.613 1.00 0.00 C ATOM 679 C PHE B 25 0.458 -4.161 -0.829 1.00 0.00 C ATOM 680 O PHE B 25 0.219 -3.411 0.096 1.00 0.00 O ATOM 681 CB PHE B 25 -0.345 -6.120 0.504 1.00 0.00 C ATOM 682 CG PHE B 25 -0.048 -5.343 1.765 1.00 0.00 C ATOM 683 CD1 PHE B 25 1.126 -5.597 2.486 1.00 0.00 C ATOM 684 CD2 PHE B 25 -0.950 -4.370 2.216 1.00 0.00 C ATOM 685 CE1 PHE B 25 1.399 -4.878 3.657 1.00 0.00 C ATOM 686 CE2 PHE B 25 -0.677 -3.650 3.387 1.00 0.00 C ATOM 687 CZ PHE B 25 0.499 -3.904 4.107 1.00 0.00 C ATOM 0 H PHE B 25 2.360 -5.500 0.583 1.00 0.00 H new ATOM 0 HA PHE B 25 0.346 -6.192 -1.535 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.381 -5.962 0.203 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.226 -7.188 0.687 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.821 -6.347 2.139 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -1.856 -4.175 1.661 1.00 0.00 H new ATOM 0 HE1 PHE B 25 2.304 -5.075 4.213 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.372 -2.900 3.735 1.00 0.00 H new ATOM 0 HZ PHE B 25 0.711 -3.348 5.009 1.00 0.00 H new ATOM 697 N TYR B 26 0.600 -3.712 -2.045 1.00 0.00 N ATOM 698 CA TYR B 26 0.468 -2.253 -2.321 1.00 0.00 C ATOM 699 C TYR B 26 -1.012 -1.863 -2.255 1.00 0.00 C ATOM 700 O TYR B 26 -1.864 -2.517 -2.823 1.00 0.00 O ATOM 701 CB TYR B 26 1.035 -1.947 -3.715 1.00 0.00 C ATOM 702 CG TYR B 26 0.483 -0.634 -4.223 1.00 0.00 C ATOM 703 CD1 TYR B 26 0.783 0.558 -3.552 1.00 0.00 C ATOM 704 CD2 TYR B 26 -0.329 -0.611 -5.363 1.00 0.00 C ATOM 705 CE1 TYR B 26 0.267 1.774 -4.022 1.00 0.00 C ATOM 706 CE2 TYR B 26 -0.844 0.603 -5.833 1.00 0.00 C ATOM 707 CZ TYR B 26 -0.545 1.796 -5.163 1.00 0.00 C ATOM 708 OH TYR B 26 -1.054 2.993 -5.626 1.00 0.00 O ATOM 0 H TYR B 26 0.802 -4.292 -2.860 1.00 0.00 H new ATOM 0 HA TYR B 26 1.023 -1.680 -1.579 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.123 -1.901 -3.672 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.778 -2.750 -4.405 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.411 0.541 -2.674 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.558 -1.531 -5.881 1.00 0.00 H new ATOM 0 HE1 TYR B 26 0.496 2.694 -3.504 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.472 0.620 -6.712 1.00 0.00 H new ATOM 0 HH TYR B 26 -0.737 3.152 -6.540 1.00 0.00 H new ATOM 718 N THR B 27 -1.323 -0.798 -1.568 1.00 0.00 N ATOM 719 CA THR B 27 -2.745 -0.364 -1.467 1.00 0.00 C ATOM 720 C THR B 27 -3.101 0.496 -2.680 1.00 0.00 C ATOM 721 O THR B 27 -2.241 0.912 -3.432 1.00 0.00 O ATOM 722 CB THR B 27 -2.939 0.453 -0.187 1.00 0.00 C ATOM 723 OG1 THR B 27 -2.216 1.672 -0.291 1.00 0.00 O ATOM 724 CG2 THR B 27 -2.426 -0.346 1.013 1.00 0.00 C ATOM 0 H THR B 27 -0.654 -0.210 -1.072 1.00 0.00 H new ATOM 0 HA THR B 27 -3.392 -1.240 -1.440 1.00 0.00 H new ATOM 0 HB THR B 27 -3.999 0.669 -0.050 1.00 0.00 H new ATOM 0 HG1 THR B 27 -2.341 2.197 0.527 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.564 0.236 1.924 1.00 0.00 H new ATOM 0 HG22 THR B 27 -2.981 -1.281 1.092 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.366 -0.564 0.879 1.00 0.00 H new ATOM 732 N LYS B 28 -4.362 0.769 -2.879 1.00 0.00 N ATOM 733 CA LYS B 28 -4.767 1.603 -4.045 1.00 0.00 C ATOM 734 C LYS B 28 -4.511 0.828 -5.341 1.00 0.00 C ATOM 735 O LYS B 28 -3.396 0.774 -5.815 1.00 0.00 O ATOM 736 CB LYS B 28 -3.945 2.893 -4.055 1.00 0.00 C ATOM 737 CG LYS B 28 -4.799 4.036 -4.605 1.00 0.00 C ATOM 738 CD LYS B 28 -3.972 5.322 -4.639 1.00 0.00 C ATOM 739 CE LYS B 28 -4.859 6.489 -5.073 1.00 0.00 C ATOM 740 NZ LYS B 28 -4.450 7.723 -4.344 1.00 0.00 N ATOM 0 H LYS B 28 -5.128 0.451 -2.285 1.00 0.00 H new ATOM 0 HA LYS B 28 -5.827 1.845 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -3.607 3.130 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -3.053 2.764 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.151 3.791 -5.607 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -5.683 4.176 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.548 5.520 -3.654 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.136 5.211 -5.329 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -4.773 6.644 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -5.905 6.261 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -5.054 8.517 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -4.553 7.572 -3.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -3.457 7.943 -4.563 1.00 0.00 H new ATOM 754 N PRO B 29 -5.553 0.245 -5.877 1.00 0.00 N ATOM 755 CA PRO B 29 -5.470 -0.542 -7.119 1.00 0.00 C ATOM 756 C PRO B 29 -5.425 0.384 -8.338 1.00 0.00 C ATOM 757 O PRO B 29 -6.447 0.768 -8.874 1.00 0.00 O ATOM 758 CB PRO B 29 -6.758 -1.370 -7.107 1.00 0.00 C ATOM 759 CG PRO B 29 -7.752 -0.617 -6.188 1.00 0.00 C ATOM 760 CD PRO B 29 -6.909 0.315 -5.296 1.00 0.00 C ATOM 0 HA PRO B 29 -4.574 -1.160 -7.176 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -7.162 -1.474 -8.114 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -6.569 -2.376 -6.733 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -8.468 -0.045 -6.778 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -8.326 -1.318 -5.582 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -7.295 1.334 -5.308 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -6.915 -0.016 -4.257 1.00 0.00 H new ATOM 768 N THR B 30 -4.249 0.742 -8.779 1.00 0.00 N ATOM 769 CA THR B 30 -4.132 1.643 -9.963 1.00 0.00 C ATOM 770 C THR B 30 -5.178 2.757 -9.869 1.00 0.00 C ATOM 771 O THR B 30 -5.644 3.193 -10.908 1.00 0.00 O ATOM 772 CB THR B 30 -4.355 0.836 -11.245 1.00 0.00 C ATOM 773 OG1 THR B 30 -4.018 1.637 -12.369 1.00 0.00 O ATOM 774 CG2 THR B 30 -5.822 0.411 -11.340 1.00 0.00 C ATOM 775 OXT THR B 30 -5.493 3.153 -8.759 1.00 0.00 O ATOM 0 H THR B 30 -3.362 0.449 -8.370 1.00 0.00 H new ATOM 0 HA THR B 30 -3.136 2.086 -9.982 1.00 0.00 H new ATOM 0 HB THR B 30 -3.725 -0.053 -11.228 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.463 2.507 -12.296 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.976 -0.163 -12.254 1.00 0.00 H new ATOM 0 HG22 THR B 30 -6.079 -0.204 -10.478 1.00 0.00 H new ATOM 0 HG23 THR B 30 -6.457 1.297 -11.356 1.00 0.00 H new TER 783 THR B 30