USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 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 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -1.32 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.834 K(o=-0.83,f=-3.1!) USER MOD Single : A 19 TYR OH : rot 144:sc= 1.31 USER MOD Single : A 21 ASN : amide:sc= -5.63! C(o=-5.6!,f=-11!) USER MOD Single : B 1 PHE N :NH3+ 155:sc= 0.0124 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.227 K(o=0.23,f=-5.9!) USER MOD Single : B 4 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.6) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 50:sc= -0.0548! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.608 5.598 7.033 1.00 0.00 N ATOM 2 CA GLY A 1 -7.811 5.125 5.595 1.00 0.00 C ATOM 3 C GLY A 1 -6.765 4.283 4.945 1.00 0.00 C ATOM 4 O GLY A 1 -5.628 4.249 5.371 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.425 6.170 7.329 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.517 4.773 7.660 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.744 6.174 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.746 4.566 5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.948 6.011 4.976 1.00 0.00 H new ATOM 10 N ILE A 2 -7.118 3.581 3.902 1.00 0.00 N ATOM 11 CA ILE A 2 -6.128 2.721 3.210 1.00 0.00 C ATOM 12 C ILE A 2 -5.393 3.536 2.150 1.00 0.00 C ATOM 13 O ILE A 2 -4.190 3.446 1.999 1.00 0.00 O ATOM 14 CB ILE A 2 -6.868 1.565 2.546 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.753 0.870 3.582 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.858 0.570 1.991 1.00 0.00 C ATOM 17 CD1 ILE A 2 -6.928 0.562 4.833 1.00 0.00 C ATOM 0 H ILE A 2 -8.056 3.569 3.501 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.403 2.336 3.927 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.487 1.945 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.599 1.507 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.162 -0.051 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.385 -0.257 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.224 1.066 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.240 0.187 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.558 0.067 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.097 -0.091 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.541 1.491 5.251 1.00 0.00 H new ATOM 29 N VAL A 3 -6.112 4.328 1.416 1.00 0.00 N ATOM 30 CA VAL A 3 -5.470 5.154 0.359 1.00 0.00 C ATOM 31 C VAL A 3 -5.276 6.578 0.871 1.00 0.00 C ATOM 32 O VAL A 3 -4.211 7.151 0.763 1.00 0.00 O ATOM 33 CB VAL A 3 -6.363 5.165 -0.881 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.623 5.832 -2.042 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.714 3.725 -1.263 1.00 0.00 C ATOM 0 H VAL A 3 -7.122 4.442 1.501 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.498 4.733 0.102 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.275 5.722 -0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.262 5.839 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.369 6.857 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.710 5.277 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.351 3.728 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.799 3.172 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.242 3.248 -0.437 1.00 0.00 H new ATOM 45 N GLU A 4 -6.297 7.145 1.435 1.00 0.00 N ATOM 46 CA GLU A 4 -6.186 8.533 1.965 1.00 0.00 C ATOM 47 C GLU A 4 -4.998 8.625 2.920 1.00 0.00 C ATOM 48 O GLU A 4 -4.504 9.696 3.209 1.00 0.00 O ATOM 49 CB GLU A 4 -7.466 8.899 2.719 1.00 0.00 C ATOM 50 CG GLU A 4 -8.686 8.541 1.870 1.00 0.00 C ATOM 51 CD GLU A 4 -9.938 9.158 2.496 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.822 10.222 3.080 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.993 8.554 2.381 1.00 0.00 O ATOM 0 H GLU A 4 -7.211 6.708 1.555 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.041 9.222 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.504 8.367 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.472 9.964 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.556 8.909 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.794 7.458 1.806 1.00 0.00 H new ATOM 60 N GLN A 5 -4.538 7.511 3.418 1.00 0.00 N ATOM 61 CA GLN A 5 -3.384 7.537 4.360 1.00 0.00 C ATOM 62 C GLN A 5 -2.084 7.277 3.595 1.00 0.00 C ATOM 63 O GLN A 5 -1.139 8.031 3.691 1.00 0.00 O ATOM 64 CB GLN A 5 -3.570 6.456 5.428 1.00 0.00 C ATOM 65 CG GLN A 5 -2.461 6.578 6.475 1.00 0.00 C ATOM 66 CD GLN A 5 -3.074 6.899 7.839 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.126 6.053 8.710 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.546 8.094 8.063 1.00 0.00 N ATOM 0 H GLN A 5 -4.911 6.584 3.214 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.333 8.516 4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.546 6.562 5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.544 5.468 4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.895 5.648 6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.760 7.361 6.187 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.503 8.805 7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.958 8.318 8.969 1.00 0.00 H new ATOM 77 N CYS A 6 -2.024 6.214 2.842 1.00 0.00 N ATOM 78 CA CYS A 6 -0.777 5.916 2.082 1.00 0.00 C ATOM 79 C CYS A 6 -0.700 6.817 0.846 1.00 0.00 C ATOM 80 O CYS A 6 0.364 7.062 0.313 1.00 0.00 O ATOM 81 CB CYS A 6 -0.783 4.450 1.637 1.00 0.00 C ATOM 82 SG CYS A 6 0.080 3.417 2.853 1.00 0.00 S ATOM 0 H CYS A 6 -2.781 5.541 2.720 1.00 0.00 H new ATOM 0 HA CYS A 6 0.085 6.100 2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.810 4.103 1.519 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.301 4.357 0.664 1.00 0.00 H new ATOM 87 N CYS A 7 -1.816 7.308 0.380 1.00 0.00 N ATOM 88 CA CYS A 7 -1.790 8.184 -0.827 1.00 0.00 C ATOM 89 C CYS A 7 -1.497 9.629 -0.418 1.00 0.00 C ATOM 90 O CYS A 7 -0.897 10.384 -1.157 1.00 0.00 O ATOM 91 CB CYS A 7 -3.146 8.130 -1.537 1.00 0.00 C ATOM 92 SG CYS A 7 -3.132 9.264 -2.947 1.00 0.00 S ATOM 0 H CYS A 7 -2.740 7.142 0.780 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.009 7.831 -1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.352 7.114 -1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.942 8.403 -0.845 1.00 0.00 H new ATOM 97 N THR A 8 -1.920 10.019 0.751 1.00 0.00 N ATOM 98 CA THR A 8 -1.676 11.416 1.210 1.00 0.00 C ATOM 99 C THR A 8 -0.227 11.802 0.925 1.00 0.00 C ATOM 100 O THR A 8 0.060 12.856 0.390 1.00 0.00 O ATOM 101 CB THR A 8 -1.963 11.506 2.716 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.256 12.853 3.073 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.759 11.014 3.522 1.00 0.00 C ATOM 0 H THR A 8 -2.426 9.429 1.411 1.00 0.00 H new ATOM 0 HA THR A 8 -2.333 12.103 0.677 1.00 0.00 H new ATOM 0 HB THR A 8 -2.821 10.874 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.440 12.904 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.980 11.085 4.587 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.548 9.976 3.264 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.110 11.630 3.290 1.00 0.00 H new ATOM 111 N SER A 9 0.683 10.951 1.287 1.00 0.00 N ATOM 112 CA SER A 9 2.126 11.241 1.055 1.00 0.00 C ATOM 113 C SER A 9 2.801 10.011 0.440 1.00 0.00 C ATOM 114 O SER A 9 2.225 9.325 -0.381 1.00 0.00 O ATOM 115 CB SER A 9 2.795 11.588 2.386 1.00 0.00 C ATOM 116 OG SER A 9 2.044 12.602 3.038 1.00 0.00 O ATOM 0 H SER A 9 0.491 10.057 1.739 1.00 0.00 H new ATOM 0 HA SER A 9 2.225 12.084 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.856 10.702 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.816 11.929 2.215 1.00 0.00 H new ATOM 0 HG SER A 9 2.469 12.826 3.892 1.00 0.00 H new ATOM 122 N ILE A 10 4.016 9.723 0.830 1.00 0.00 N ATOM 123 CA ILE A 10 4.717 8.534 0.260 1.00 0.00 C ATOM 124 C ILE A 10 4.740 7.413 1.297 1.00 0.00 C ATOM 125 O ILE A 10 5.379 7.517 2.324 1.00 0.00 O ATOM 126 CB ILE A 10 6.158 8.899 -0.124 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.625 10.129 0.665 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.226 9.198 -1.621 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.966 11.386 0.098 1.00 0.00 C ATOM 0 H ILE A 10 4.551 10.257 1.515 1.00 0.00 H new ATOM 0 HA ILE A 10 4.184 8.204 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 10 6.810 8.059 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.369 10.016 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.710 10.219 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.249 9.457 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.912 8.318 -2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.565 10.032 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.300 12.257 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.245 11.502 -0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.883 11.296 0.177 1.00 0.00 H new ATOM 141 N CYS A 11 4.047 6.338 1.037 1.00 0.00 N ATOM 142 CA CYS A 11 4.035 5.213 2.016 1.00 0.00 C ATOM 143 C CYS A 11 5.287 4.350 1.830 1.00 0.00 C ATOM 144 O CYS A 11 5.849 4.279 0.755 1.00 0.00 O ATOM 145 CB CYS A 11 2.779 4.360 1.809 1.00 0.00 C ATOM 146 SG CYS A 11 1.773 4.424 3.313 1.00 0.00 S ATOM 0 H CYS A 11 3.492 6.190 0.194 1.00 0.00 H new ATOM 0 HA CYS A 11 4.029 5.618 3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.208 4.730 0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.056 3.330 1.584 1.00 0.00 H new ATOM 151 N SER A 12 5.735 3.704 2.874 1.00 0.00 N ATOM 152 CA SER A 12 6.957 2.857 2.761 1.00 0.00 C ATOM 153 C SER A 12 6.565 1.402 2.492 1.00 0.00 C ATOM 154 O SER A 12 5.677 0.859 3.113 1.00 0.00 O ATOM 155 CB SER A 12 7.752 2.938 4.063 1.00 0.00 C ATOM 156 OG SER A 12 7.871 4.300 4.451 1.00 0.00 O ATOM 0 H SER A 12 5.307 3.727 3.800 1.00 0.00 H new ATOM 0 HA SER A 12 7.567 3.219 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.252 2.367 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.740 2.498 3.928 1.00 0.00 H new ATOM 0 HG SER A 12 8.379 4.359 5.287 1.00 0.00 H new ATOM 162 N LEU A 13 7.231 0.766 1.571 1.00 0.00 N ATOM 163 CA LEU A 13 6.907 -0.654 1.253 1.00 0.00 C ATOM 164 C LEU A 13 6.758 -1.447 2.540 1.00 0.00 C ATOM 165 O LEU A 13 5.995 -2.387 2.626 1.00 0.00 O ATOM 166 CB LEU A 13 8.034 -1.249 0.416 1.00 0.00 C ATOM 167 CG LEU A 13 7.825 -0.863 -1.044 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.449 0.619 -1.141 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.112 -1.118 -1.831 1.00 0.00 C ATOM 0 H LEU A 13 7.990 1.169 1.021 1.00 0.00 H new ATOM 0 HA LEU A 13 5.971 -0.698 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.998 -0.882 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.048 -2.334 0.520 1.00 0.00 H new ATOM 0 HG LEU A 13 7.019 -1.465 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.301 0.889 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.528 0.798 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.250 1.226 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.961 -0.842 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.920 -0.520 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.373 -2.175 -1.770 1.00 0.00 H new ATOM 181 N TYR A 14 7.477 -1.064 3.542 1.00 0.00 N ATOM 182 CA TYR A 14 7.380 -1.783 4.839 1.00 0.00 C ATOM 183 C TYR A 14 6.011 -1.499 5.439 1.00 0.00 C ATOM 184 O TYR A 14 5.367 -2.367 5.995 1.00 0.00 O ATOM 185 CB TYR A 14 8.460 -1.303 5.817 1.00 0.00 C ATOM 186 CG TYR A 14 9.573 -0.595 5.084 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.261 -1.250 4.054 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.914 0.718 5.430 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.290 -0.592 3.370 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.942 1.378 4.746 1.00 0.00 C ATOM 191 CZ TYR A 14 11.632 0.724 3.715 1.00 0.00 C ATOM 192 OH TYR A 14 12.646 1.375 3.041 1.00 0.00 O ATOM 0 H TYR A 14 8.132 -0.282 3.525 1.00 0.00 H new ATOM 0 HA TYR A 14 7.522 -2.850 4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.018 -0.631 6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.864 -2.154 6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.997 -2.263 3.788 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.384 1.222 6.225 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.821 -1.098 2.577 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.204 2.391 5.013 1.00 0.00 H new ATOM 0 HH TYR A 14 12.753 2.279 3.404 1.00 0.00 H new ATOM 202 N GLN A 15 5.548 -0.289 5.307 1.00 0.00 N ATOM 203 CA GLN A 15 4.211 0.048 5.856 1.00 0.00 C ATOM 204 C GLN A 15 3.165 -0.474 4.885 1.00 0.00 C ATOM 205 O GLN A 15 2.037 -0.749 5.243 1.00 0.00 O ATOM 206 CB GLN A 15 4.085 1.565 6.005 1.00 0.00 C ATOM 207 CG GLN A 15 4.782 2.008 7.294 1.00 0.00 C ATOM 208 CD GLN A 15 3.759 2.095 8.429 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.825 1.344 9.382 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.809 2.988 8.367 1.00 0.00 N ATOM 0 H GLN A 15 6.037 0.477 4.844 1.00 0.00 H new ATOM 0 HA GLN A 15 4.071 -0.406 6.837 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.533 2.064 5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.034 1.853 6.029 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.570 1.301 7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.259 2.977 7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.753 3.619 7.567 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.122 3.055 9.118 1.00 0.00 H new ATOM 219 N LEU A 16 3.554 -0.634 3.656 1.00 0.00 N ATOM 220 CA LEU A 16 2.621 -1.160 2.637 1.00 0.00 C ATOM 221 C LEU A 16 2.433 -2.656 2.876 1.00 0.00 C ATOM 222 O LEU A 16 1.396 -3.216 2.585 1.00 0.00 O ATOM 223 CB LEU A 16 3.216 -0.926 1.249 1.00 0.00 C ATOM 224 CG LEU A 16 2.151 -1.199 0.188 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.111 -0.078 0.209 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.803 -1.259 -1.194 1.00 0.00 C ATOM 0 H LEU A 16 4.490 -0.419 3.313 1.00 0.00 H new ATOM 0 HA LEU A 16 1.658 -0.654 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.576 0.099 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.075 -1.579 1.095 1.00 0.00 H new ATOM 0 HG LEU A 16 1.667 -2.152 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.351 -0.272 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.642 -0.035 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.598 0.874 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.040 -1.454 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.290 -0.308 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.544 -2.058 -1.212 1.00 0.00 H new ATOM 238 N GLU A 17 3.428 -3.312 3.416 1.00 0.00 N ATOM 239 CA GLU A 17 3.289 -4.773 3.674 1.00 0.00 C ATOM 240 C GLU A 17 2.044 -5.006 4.524 1.00 0.00 C ATOM 241 O GLU A 17 1.396 -6.030 4.435 1.00 0.00 O ATOM 242 CB GLU A 17 4.526 -5.287 4.417 1.00 0.00 C ATOM 243 CG GLU A 17 4.453 -6.811 4.537 1.00 0.00 C ATOM 244 CD GLU A 17 5.825 -7.417 4.229 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.809 -6.885 4.717 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.867 -8.404 3.513 1.00 0.00 O ATOM 0 H GLU A 17 4.322 -2.902 3.687 1.00 0.00 H new ATOM 0 HA GLU A 17 3.197 -5.308 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.431 -4.997 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.582 -4.836 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.137 -7.092 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.707 -7.205 3.847 1.00 0.00 H new ATOM 253 N ASN A 18 1.703 -4.055 5.342 1.00 0.00 N ATOM 254 CA ASN A 18 0.496 -4.201 6.200 1.00 0.00 C ATOM 255 C ASN A 18 -0.761 -3.981 5.355 1.00 0.00 C ATOM 256 O ASN A 18 -1.869 -4.045 5.846 1.00 0.00 O ATOM 257 CB ASN A 18 0.544 -3.166 7.327 1.00 0.00 C ATOM 258 CG ASN A 18 -0.504 -3.514 8.384 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.224 -4.484 8.248 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.621 -2.759 9.442 1.00 0.00 N ATOM 0 H ASN A 18 2.210 -3.177 5.455 1.00 0.00 H new ATOM 0 HA ASN A 18 0.473 -5.203 6.628 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.537 -3.148 7.776 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.356 -2.169 6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.316 -2.983 10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.017 -1.945 9.557 1.00 0.00 H new ATOM 267 N TYR A 19 -0.597 -3.719 4.084 1.00 0.00 N ATOM 268 CA TYR A 19 -1.783 -3.496 3.210 1.00 0.00 C ATOM 269 C TYR A 19 -2.124 -4.783 2.468 1.00 0.00 C ATOM 270 O TYR A 19 -3.218 -4.951 1.968 1.00 0.00 O ATOM 271 CB TYR A 19 -1.464 -2.409 2.183 1.00 0.00 C ATOM 272 CG TYR A 19 -1.655 -1.039 2.810 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.591 -0.882 4.206 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.894 0.081 1.998 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.766 0.381 4.778 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.070 1.342 2.574 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.005 1.494 3.963 1.00 0.00 C ATOM 278 OH TYR A 19 -2.179 2.741 4.531 1.00 0.00 O ATOM 0 H TYR A 19 0.307 -3.650 3.616 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.627 -3.190 3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.438 -2.518 1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.113 -2.515 1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.406 -1.739 4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.942 -0.032 0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.717 0.499 5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.256 2.200 1.946 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.775 3.422 3.954 1.00 0.00 H new ATOM 288 N CYS A 20 -1.193 -5.686 2.377 1.00 0.00 N ATOM 289 CA CYS A 20 -1.463 -6.951 1.645 1.00 0.00 C ATOM 290 C CYS A 20 -2.167 -7.953 2.566 1.00 0.00 C ATOM 291 O CYS A 20 -2.006 -7.924 3.770 1.00 0.00 O ATOM 292 CB CYS A 20 -0.145 -7.538 1.147 1.00 0.00 C ATOM 293 SG CYS A 20 0.799 -8.184 2.546 1.00 0.00 S ATOM 0 H CYS A 20 -0.258 -5.604 2.777 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.112 -6.743 0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.339 -8.334 0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.432 -6.773 0.628 1.00 0.00 H new ATOM 298 N ASN A 21 -2.949 -8.840 2.007 1.00 0.00 N ATOM 299 CA ASN A 21 -3.663 -9.842 2.846 1.00 0.00 C ATOM 300 C ASN A 21 -2.640 -10.709 3.582 1.00 0.00 C ATOM 301 O ASN A 21 -3.518 -11.628 4.091 1.00 0.00 O ATOM 302 CB ASN A 21 -4.535 -10.732 1.954 1.00 0.00 C ATOM 303 CG ASN A 21 -5.805 -9.980 1.555 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.842 -8.768 1.591 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.853 -10.654 1.171 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.396 -10.587 3.647 1.00 0.00 O ATOM 0 H ASN A 21 -3.123 -8.912 1.004 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.294 -9.325 3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.980 -11.025 1.063 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.795 -11.649 2.483 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.705 -10.162 0.901 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.821 -11.673 1.141 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.635 2.151 -6.227 1.00 0.00 N ATOM 315 CA PHE B 1 12.354 2.814 -5.851 1.00 0.00 C ATOM 316 C PHE B 1 12.648 4.192 -5.255 1.00 0.00 C ATOM 317 O PHE B 1 13.630 4.387 -4.567 1.00 0.00 O ATOM 318 CB PHE B 1 11.616 1.960 -4.819 1.00 0.00 C ATOM 319 CG PHE B 1 10.331 1.449 -5.424 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.398 2.353 -5.946 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.074 0.071 -5.469 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.206 1.881 -6.512 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.881 -0.400 -6.035 1.00 0.00 C ATOM 324 CZ PHE B 1 7.948 0.505 -6.557 1.00 0.00 C ATOM 0 H1 PHE B 1 13.506 1.119 -6.225 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.921 2.462 -7.177 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.374 2.409 -5.542 1.00 0.00 H new ATOM 0 HA PHE B 1 11.732 2.926 -6.739 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.242 1.124 -4.506 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.403 2.549 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.597 3.414 -5.912 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.794 -0.627 -5.068 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.486 2.579 -6.914 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.681 -1.461 -6.069 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.030 0.142 -6.994 1.00 0.00 H new ATOM 336 N VAL B 2 11.801 5.151 -5.513 1.00 0.00 N ATOM 337 CA VAL B 2 12.031 6.515 -4.959 1.00 0.00 C ATOM 338 C VAL B 2 10.851 6.905 -4.077 1.00 0.00 C ATOM 339 O VAL B 2 10.030 6.085 -3.715 1.00 0.00 O ATOM 340 CB VAL B 2 12.188 7.524 -6.110 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.835 6.826 -7.298 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.824 8.072 -6.545 1.00 0.00 C ATOM 0 H VAL B 2 10.961 5.049 -6.083 1.00 0.00 H new ATOM 0 HA VAL B 2 12.943 6.519 -4.362 1.00 0.00 H new ATOM 0 HB VAL B 2 12.808 8.351 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.950 7.535 -8.118 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.814 6.446 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.205 5.997 -7.620 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.961 8.783 -7.360 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.193 7.250 -6.883 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.348 8.573 -5.702 1.00 0.00 H new ATOM 352 N ASN B 3 10.757 8.153 -3.733 1.00 0.00 N ATOM 353 CA ASN B 3 9.628 8.592 -2.880 1.00 0.00 C ATOM 354 C ASN B 3 8.374 8.731 -3.741 1.00 0.00 C ATOM 355 O ASN B 3 7.952 9.820 -4.077 1.00 0.00 O ATOM 356 CB ASN B 3 9.963 9.935 -2.229 1.00 0.00 C ATOM 357 CG ASN B 3 10.456 10.912 -3.297 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.357 10.603 -4.050 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.901 12.089 -3.395 1.00 0.00 N ATOM 0 H ASN B 3 11.412 8.887 -4.005 1.00 0.00 H new ATOM 0 HA ASN B 3 9.452 7.854 -2.097 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.082 10.339 -1.731 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.728 9.800 -1.464 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.224 12.748 -4.103 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.144 12.350 -2.763 1.00 0.00 H new ATOM 366 N GLN B 4 7.772 7.630 -4.098 1.00 0.00 N ATOM 367 CA GLN B 4 6.542 7.691 -4.933 1.00 0.00 C ATOM 368 C GLN B 4 5.316 7.651 -4.015 1.00 0.00 C ATOM 369 O GLN B 4 5.348 7.078 -2.943 1.00 0.00 O ATOM 370 CB GLN B 4 6.535 6.503 -5.923 1.00 0.00 C ATOM 371 CG GLN B 4 5.235 5.689 -5.814 1.00 0.00 C ATOM 372 CD GLN B 4 5.105 4.762 -7.023 1.00 0.00 C ATOM 373 OE1 GLN B 4 5.449 3.599 -6.951 1.00 0.00 O ATOM 374 NE2 GLN B 4 4.617 5.231 -8.140 1.00 0.00 N ATOM 0 H GLN B 4 8.080 6.691 -3.847 1.00 0.00 H new ATOM 0 HA GLN B 4 6.518 8.616 -5.509 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.649 6.875 -6.941 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.389 5.856 -5.723 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.236 5.105 -4.894 1.00 0.00 H new ATOM 0 HG3 GLN B 4 4.377 6.360 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.328 6.207 -8.200 1.00 0.00 H new ATOM 0 HE22 GLN B 4 4.525 4.621 -8.952 1.00 0.00 H new ATOM 383 N ALA B 5 4.234 8.242 -4.433 1.00 0.00 N ATOM 384 CA ALA B 5 3.009 8.223 -3.587 1.00 0.00 C ATOM 385 C ALA B 5 2.415 6.815 -3.607 1.00 0.00 C ATOM 386 O ALA B 5 2.989 5.902 -4.165 1.00 0.00 O ATOM 387 CB ALA B 5 1.989 9.220 -4.132 1.00 0.00 C ATOM 0 H ALA B 5 4.144 8.736 -5.321 1.00 0.00 H new ATOM 0 HA ALA B 5 3.264 8.502 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA B 5 1.094 9.202 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA B 5 2.418 10.222 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA B 5 1.725 8.949 -5.154 1.00 0.00 H new ATOM 393 N LEU B 6 1.276 6.626 -2.998 1.00 0.00 N ATOM 394 CA LEU B 6 0.666 5.266 -2.982 1.00 0.00 C ATOM 395 C LEU B 6 -0.837 5.353 -3.270 1.00 0.00 C ATOM 396 O LEU B 6 -1.657 5.134 -2.401 1.00 0.00 O ATOM 397 CB LEU B 6 0.889 4.637 -1.605 1.00 0.00 C ATOM 398 CG LEU B 6 1.887 3.478 -1.715 1.00 0.00 C ATOM 399 CD1 LEU B 6 1.200 2.270 -2.348 1.00 0.00 C ATOM 400 CD2 LEU B 6 3.074 3.891 -2.589 1.00 0.00 C ATOM 0 H LEU B 6 0.744 7.349 -2.514 1.00 0.00 H new ATOM 0 HA LEU B 6 1.134 4.653 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.265 5.387 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.058 4.276 -1.203 1.00 0.00 H new ATOM 0 HG LEU B 6 2.242 3.222 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.910 1.447 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.357 1.965 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.842 2.535 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.778 3.062 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.718 4.154 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.572 4.752 -2.143 1.00 0.00 H new ATOM 412 N CYS B 7 -1.207 5.668 -4.483 1.00 0.00 N ATOM 413 CA CYS B 7 -2.658 5.762 -4.819 1.00 0.00 C ATOM 414 C CYS B 7 -2.966 4.871 -6.028 1.00 0.00 C ATOM 415 O CYS B 7 -2.131 4.660 -6.880 1.00 0.00 O ATOM 416 CB CYS B 7 -3.023 7.212 -5.165 1.00 0.00 C ATOM 417 SG CYS B 7 -1.928 8.362 -4.292 1.00 0.00 S ATOM 0 H CYS B 7 -0.569 5.864 -5.254 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.240 5.434 -3.958 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.942 7.368 -6.241 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.060 7.408 -4.892 1.00 0.00 H new ATOM 422 N GLY B 8 -4.164 4.360 -6.115 1.00 0.00 N ATOM 423 CA GLY B 8 -4.533 3.496 -7.279 1.00 0.00 C ATOM 424 C GLY B 8 -3.694 2.216 -7.284 1.00 0.00 C ATOM 425 O GLY B 8 -3.122 1.827 -6.284 1.00 0.00 O ATOM 0 H GLY B 8 -4.906 4.502 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.592 3.243 -7.230 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.378 4.043 -8.209 1.00 0.00 H new ATOM 429 N SER B 9 -3.623 1.555 -8.411 1.00 0.00 N ATOM 430 CA SER B 9 -2.832 0.291 -8.504 1.00 0.00 C ATOM 431 C SER B 9 -1.444 0.497 -7.897 1.00 0.00 C ATOM 432 O SER B 9 -0.784 -0.443 -7.507 1.00 0.00 O ATOM 433 CB SER B 9 -2.686 -0.113 -9.971 1.00 0.00 C ATOM 434 OG SER B 9 -3.541 -1.216 -10.241 1.00 0.00 O ATOM 0 H SER B 9 -4.082 1.839 -9.276 1.00 0.00 H new ATOM 0 HA SER B 9 -3.352 -0.495 -7.955 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.940 0.726 -10.618 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.651 -0.379 -10.186 1.00 0.00 H new ATOM 0 HG SER B 9 -3.451 -1.477 -11.181 1.00 0.00 H new ATOM 440 N ASP B 10 -0.988 1.711 -7.804 1.00 0.00 N ATOM 441 CA ASP B 10 0.359 1.930 -7.208 1.00 0.00 C ATOM 442 C ASP B 10 0.413 1.198 -5.868 1.00 0.00 C ATOM 443 O ASP B 10 1.466 0.828 -5.390 1.00 0.00 O ATOM 444 CB ASP B 10 0.610 3.424 -7.002 1.00 0.00 C ATOM 445 CG ASP B 10 0.018 4.210 -8.173 1.00 0.00 C ATOM 446 OD1 ASP B 10 -0.292 3.594 -9.179 1.00 0.00 O ATOM 447 OD2 ASP B 10 -0.122 5.415 -8.042 1.00 0.00 O ATOM 0 H ASP B 10 -1.479 2.551 -8.109 1.00 0.00 H new ATOM 0 HA ASP B 10 1.130 1.546 -7.877 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.160 3.753 -6.065 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.680 3.616 -6.926 1.00 0.00 H new ATOM 452 N LEU B 11 -0.727 0.961 -5.272 1.00 0.00 N ATOM 453 CA LEU B 11 -0.757 0.224 -3.981 1.00 0.00 C ATOM 454 C LEU B 11 -0.615 -1.261 -4.277 1.00 0.00 C ATOM 455 O LEU B 11 0.323 -1.909 -3.856 1.00 0.00 O ATOM 456 CB LEU B 11 -2.088 0.468 -3.268 1.00 0.00 C ATOM 457 CG LEU B 11 -2.110 1.875 -2.669 1.00 0.00 C ATOM 458 CD1 LEU B 11 -3.549 2.391 -2.643 1.00 0.00 C ATOM 459 CD2 LEU B 11 -1.565 1.827 -1.240 1.00 0.00 C ATOM 0 H LEU B 11 -1.639 1.248 -5.628 1.00 0.00 H new ATOM 0 HA LEU B 11 0.055 0.569 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.913 0.350 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.230 -0.273 -2.482 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.493 2.539 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.568 3.394 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.943 2.421 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -4.163 1.726 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.580 2.829 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.185 1.165 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.541 1.453 -1.253 1.00 0.00 H new ATOM 471 N VAL B 12 -1.538 -1.799 -5.016 1.00 0.00 N ATOM 472 CA VAL B 12 -1.460 -3.241 -5.366 1.00 0.00 C ATOM 473 C VAL B 12 -0.173 -3.483 -6.146 1.00 0.00 C ATOM 474 O VAL B 12 0.392 -4.550 -6.105 1.00 0.00 O ATOM 475 CB VAL B 12 -2.653 -3.641 -6.227 1.00 0.00 C ATOM 476 CG1 VAL B 12 -3.934 -3.591 -5.393 1.00 0.00 C ATOM 477 CG2 VAL B 12 -2.777 -2.690 -7.405 1.00 0.00 C ATOM 0 H VAL B 12 -2.345 -1.303 -5.394 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.470 -3.837 -4.453 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.502 -4.656 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.783 -3.878 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.849 -4.281 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.084 -2.579 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.631 -2.979 -8.018 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.921 -1.674 -7.038 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.868 -2.734 -8.005 1.00 0.00 H new ATOM 487 N GLU B 13 0.299 -2.488 -6.849 1.00 0.00 N ATOM 488 CA GLU B 13 1.563 -2.648 -7.620 1.00 0.00 C ATOM 489 C GLU B 13 2.725 -2.657 -6.634 1.00 0.00 C ATOM 490 O GLU B 13 3.652 -3.436 -6.749 1.00 0.00 O ATOM 491 CB GLU B 13 1.716 -1.475 -8.592 1.00 0.00 C ATOM 492 CG GLU B 13 3.044 -1.598 -9.341 1.00 0.00 C ATOM 493 CD GLU B 13 2.977 -0.782 -10.633 1.00 0.00 C ATOM 494 OE1 GLU B 13 2.091 -1.042 -11.430 1.00 0.00 O ATOM 495 OE2 GLU B 13 3.813 0.090 -10.803 1.00 0.00 O ATOM 0 H GLU B 13 -0.139 -1.570 -6.922 1.00 0.00 H new ATOM 0 HA GLU B 13 1.548 -3.578 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.887 -1.466 -9.300 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.680 -0.531 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.862 -1.241 -8.715 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.250 -2.644 -9.569 1.00 0.00 H new ATOM 502 N ALA B 14 2.659 -1.818 -5.639 1.00 0.00 N ATOM 503 CA ALA B 14 3.742 -1.800 -4.615 1.00 0.00 C ATOM 504 C ALA B 14 3.512 -2.995 -3.708 1.00 0.00 C ATOM 505 O ALA B 14 4.432 -3.628 -3.226 1.00 0.00 O ATOM 506 CB ALA B 14 3.681 -0.508 -3.798 1.00 0.00 C ATOM 0 H ALA B 14 1.906 -1.146 -5.490 1.00 0.00 H new ATOM 0 HA ALA B 14 4.722 -1.848 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.478 -0.510 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.805 0.348 -4.461 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.716 -0.441 -3.295 1.00 0.00 H new ATOM 512 N LEU B 15 2.271 -3.323 -3.511 1.00 0.00 N ATOM 513 CA LEU B 15 1.923 -4.496 -2.677 1.00 0.00 C ATOM 514 C LEU B 15 2.265 -5.738 -3.483 1.00 0.00 C ATOM 515 O LEU B 15 2.772 -6.720 -2.979 1.00 0.00 O ATOM 516 CB LEU B 15 0.432 -4.473 -2.383 1.00 0.00 C ATOM 517 CG LEU B 15 0.143 -3.373 -1.377 1.00 0.00 C ATOM 518 CD1 LEU B 15 -1.097 -2.600 -1.821 1.00 0.00 C ATOM 519 CD2 LEU B 15 -0.097 -4.005 -0.008 1.00 0.00 C ATOM 0 H LEU B 15 1.473 -2.820 -3.899 1.00 0.00 H new ATOM 0 HA LEU B 15 2.469 -4.486 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.130 -4.301 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.111 -5.437 -1.989 1.00 0.00 H new ATOM 0 HG LEU B 15 0.988 -2.687 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.309 -1.809 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.920 -2.160 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.948 -3.278 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.306 -3.223 0.722 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.947 -4.684 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.790 -4.559 0.297 1.00 0.00 H new ATOM 531 N TYR B 16 2.004 -5.669 -4.752 1.00 0.00 N ATOM 532 CA TYR B 16 2.316 -6.797 -5.657 1.00 0.00 C ATOM 533 C TYR B 16 3.777 -7.131 -5.517 1.00 0.00 C ATOM 534 O TYR B 16 4.220 -8.224 -5.811 1.00 0.00 O ATOM 535 CB TYR B 16 2.106 -6.344 -7.093 1.00 0.00 C ATOM 536 CG TYR B 16 0.858 -6.947 -7.642 1.00 0.00 C ATOM 537 CD1 TYR B 16 0.708 -8.336 -7.672 1.00 0.00 C ATOM 538 CD2 TYR B 16 -0.147 -6.113 -8.124 1.00 0.00 C ATOM 539 CE1 TYR B 16 -0.469 -8.895 -8.196 1.00 0.00 C ATOM 540 CE2 TYR B 16 -1.322 -6.663 -8.648 1.00 0.00 C ATOM 541 CZ TYR B 16 -1.485 -8.057 -8.684 1.00 0.00 C ATOM 542 OH TYR B 16 -2.642 -8.604 -9.200 1.00 0.00 O ATOM 0 H TYR B 16 1.579 -4.862 -5.208 1.00 0.00 H new ATOM 0 HA TYR B 16 1.683 -7.650 -5.413 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.043 -5.257 -7.134 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.960 -6.637 -7.704 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.492 -8.976 -7.295 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.020 -5.041 -8.093 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.593 -9.968 -8.224 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.102 -6.017 -9.024 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.241 -7.886 -9.493 1.00 0.00 H new ATOM 552 N LEU B 17 4.540 -6.168 -5.119 1.00 0.00 N ATOM 553 CA LEU B 17 5.986 -6.396 -5.017 1.00 0.00 C ATOM 554 C LEU B 17 6.373 -6.819 -3.598 1.00 0.00 C ATOM 555 O LEU B 17 7.388 -7.454 -3.388 1.00 0.00 O ATOM 556 CB LEU B 17 6.710 -5.108 -5.402 1.00 0.00 C ATOM 557 CG LEU B 17 7.506 -5.340 -6.684 1.00 0.00 C ATOM 558 CD1 LEU B 17 6.542 -5.641 -7.834 1.00 0.00 C ATOM 559 CD2 LEU B 17 8.319 -4.086 -7.012 1.00 0.00 C ATOM 0 H LEU B 17 4.222 -5.234 -4.861 1.00 0.00 H new ATOM 0 HA LEU B 17 6.274 -7.202 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.990 -4.303 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.377 -4.798 -4.597 1.00 0.00 H new ATOM 0 HG LEU B 17 8.181 -6.184 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.109 -5.807 -8.750 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.963 -6.534 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.867 -4.797 -7.973 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.888 -4.250 -7.927 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.645 -3.241 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.005 -3.872 -6.192 1.00 0.00 H new ATOM 571 N VAL B 18 5.580 -6.477 -2.622 1.00 0.00 N ATOM 572 CA VAL B 18 5.926 -6.873 -1.224 1.00 0.00 C ATOM 573 C VAL B 18 5.210 -8.178 -0.858 1.00 0.00 C ATOM 574 O VAL B 18 5.812 -9.096 -0.336 1.00 0.00 O ATOM 575 CB VAL B 18 5.535 -5.762 -0.239 1.00 0.00 C ATOM 576 CG1 VAL B 18 6.513 -4.595 -0.374 1.00 0.00 C ATOM 577 CG2 VAL B 18 4.128 -5.263 -0.530 1.00 0.00 C ATOM 0 H VAL B 18 4.715 -5.946 -2.727 1.00 0.00 H new ATOM 0 HA VAL B 18 7.003 -7.028 -1.161 1.00 0.00 H new ATOM 0 HB VAL B 18 5.569 -6.166 0.773 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.236 -3.806 0.325 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.523 -4.939 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.478 -4.207 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.867 -4.476 0.178 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.085 -4.867 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.422 -6.088 -0.432 1.00 0.00 H new ATOM 587 N CYS B 19 3.938 -8.281 -1.132 1.00 0.00 N ATOM 588 CA CYS B 19 3.209 -9.537 -0.801 1.00 0.00 C ATOM 589 C CYS B 19 2.925 -10.311 -2.084 1.00 0.00 C ATOM 590 O CYS B 19 3.304 -11.456 -2.235 1.00 0.00 O ATOM 591 CB CYS B 19 1.897 -9.200 -0.091 1.00 0.00 C ATOM 592 SG CYS B 19 2.104 -9.462 1.691 1.00 0.00 S ATOM 0 H CYS B 19 3.374 -7.552 -1.569 1.00 0.00 H new ATOM 0 HA CYS B 19 3.821 -10.151 -0.140 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.617 -8.165 -0.289 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.091 -9.827 -0.472 1.00 0.00 H new ATOM 597 N GLY B 20 2.264 -9.685 -3.010 1.00 0.00 N ATOM 598 CA GLY B 20 1.947 -10.359 -4.300 1.00 0.00 C ATOM 599 C GLY B 20 1.189 -11.659 -4.040 1.00 0.00 C ATOM 600 O GLY B 20 -0.025 -11.698 -4.064 1.00 0.00 O ATOM 0 H GLY B 20 1.925 -8.726 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.348 -9.699 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.867 -10.568 -4.846 1.00 0.00 H new ATOM 604 N GLU B 21 1.897 -12.729 -3.794 1.00 0.00 N ATOM 605 CA GLU B 21 1.219 -14.028 -3.536 1.00 0.00 C ATOM 606 C GLU B 21 0.340 -13.906 -2.290 1.00 0.00 C ATOM 607 O GLU B 21 -0.463 -14.771 -2.000 1.00 0.00 O ATOM 608 CB GLU B 21 2.270 -15.119 -3.313 1.00 0.00 C ATOM 609 CG GLU B 21 3.246 -15.138 -4.491 1.00 0.00 C ATOM 610 CD GLU B 21 4.646 -15.497 -3.989 1.00 0.00 C ATOM 611 OE1 GLU B 21 4.939 -16.678 -3.906 1.00 0.00 O ATOM 612 OE2 GLU B 21 5.402 -14.584 -3.698 1.00 0.00 O ATOM 0 H GLU B 21 2.916 -12.757 -3.761 1.00 0.00 H new ATOM 0 HA GLU B 21 0.600 -14.290 -4.394 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.809 -14.935 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.785 -16.090 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.919 -15.863 -5.236 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.262 -14.164 -4.979 1.00 0.00 H new ATOM 619 N ARG B 22 0.484 -12.841 -1.548 1.00 0.00 N ATOM 620 CA ARG B 22 -0.347 -12.678 -0.322 1.00 0.00 C ATOM 621 C ARG B 22 -1.541 -11.761 -0.625 1.00 0.00 C ATOM 622 O ARG B 22 -2.082 -11.125 0.256 1.00 0.00 O ATOM 623 CB ARG B 22 0.506 -12.079 0.799 1.00 0.00 C ATOM 624 CG ARG B 22 1.243 -13.198 1.545 1.00 0.00 C ATOM 625 CD ARG B 22 2.562 -12.650 2.096 1.00 0.00 C ATOM 626 NE ARG B 22 3.610 -13.710 2.061 1.00 0.00 N ATOM 627 CZ ARG B 22 4.808 -13.455 2.515 1.00 0.00 C ATOM 628 NH1 ARG B 22 5.004 -13.328 3.799 1.00 0.00 N ATOM 629 NH2 ARG B 22 5.809 -13.325 1.688 1.00 0.00 N ATOM 0 H ARG B 22 1.138 -12.081 -1.737 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.721 -13.651 -0.003 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.224 -11.372 0.384 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.126 -11.522 1.491 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.625 -13.578 2.358 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.435 -14.035 0.873 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.883 -11.791 1.507 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.421 -12.300 3.119 1.00 0.00 H new ATOM 0 HE ARG B 22 3.392 -14.632 1.683 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.222 -13.428 4.447 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.939 -13.129 4.155 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.657 -13.422 0.684 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.743 -13.126 2.045 1.00 0.00 H new ATOM 643 N GLY B 23 -1.961 -11.710 -1.864 1.00 0.00 N ATOM 644 CA GLY B 23 -3.131 -10.856 -2.244 1.00 0.00 C ATOM 645 C GLY B 23 -3.073 -9.502 -1.528 1.00 0.00 C ATOM 646 O GLY B 23 -2.078 -9.144 -0.932 1.00 0.00 O ATOM 0 H GLY B 23 -1.541 -12.227 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.139 -10.702 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.059 -11.368 -1.988 1.00 0.00 H new ATOM 650 N PHE B 24 -4.143 -8.746 -1.584 1.00 0.00 N ATOM 651 CA PHE B 24 -4.152 -7.417 -0.903 1.00 0.00 C ATOM 652 C PHE B 24 -5.549 -7.117 -0.350 1.00 0.00 C ATOM 653 O PHE B 24 -6.493 -7.845 -0.581 1.00 0.00 O ATOM 654 CB PHE B 24 -3.764 -6.304 -1.883 1.00 0.00 C ATOM 655 CG PHE B 24 -2.967 -6.863 -3.036 1.00 0.00 C ATOM 656 CD1 PHE B 24 -1.647 -7.288 -2.836 1.00 0.00 C ATOM 657 CD2 PHE B 24 -3.545 -6.942 -4.309 1.00 0.00 C ATOM 658 CE1 PHE B 24 -0.907 -7.796 -3.911 1.00 0.00 C ATOM 659 CE2 PHE B 24 -2.805 -7.447 -5.384 1.00 0.00 C ATOM 660 CZ PHE B 24 -1.485 -7.875 -5.184 1.00 0.00 C ATOM 0 H PHE B 24 -5.006 -8.992 -2.070 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.428 -7.452 -0.089 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.662 -5.814 -2.259 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.179 -5.544 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.201 -7.224 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.562 -6.613 -4.461 1.00 0.00 H new ATOM 0 HE1 PHE B 24 0.110 -8.127 -3.758 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.250 -7.507 -6.366 1.00 0.00 H new ATOM 0 HZ PHE B 24 -0.913 -8.266 -6.013 1.00 0.00 H new ATOM 670 N PHE B 25 -5.678 -6.036 0.375 1.00 0.00 N ATOM 671 CA PHE B 25 -7.003 -5.657 0.945 1.00 0.00 C ATOM 672 C PHE B 25 -7.143 -4.133 0.914 1.00 0.00 C ATOM 673 O PHE B 25 -7.584 -3.522 1.867 1.00 0.00 O ATOM 674 CB PHE B 25 -7.103 -6.143 2.394 1.00 0.00 C ATOM 675 CG PHE B 25 -8.544 -6.461 2.725 1.00 0.00 C ATOM 676 CD1 PHE B 25 -9.565 -5.583 2.334 1.00 0.00 C ATOM 677 CD2 PHE B 25 -8.860 -7.634 3.424 1.00 0.00 C ATOM 678 CE1 PHE B 25 -10.898 -5.875 2.644 1.00 0.00 C ATOM 679 CE2 PHE B 25 -10.195 -7.927 3.734 1.00 0.00 C ATOM 680 CZ PHE B 25 -11.214 -7.048 3.343 1.00 0.00 C ATOM 0 H PHE B 25 -4.916 -5.396 0.598 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.796 -6.117 0.356 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.483 -7.029 2.535 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.724 -5.378 3.072 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.322 -4.680 1.793 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.075 -8.312 3.724 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.683 -5.197 2.345 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.438 -8.830 4.274 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.243 -7.274 3.580 1.00 0.00 H new ATOM 690 N TYR B 26 -6.764 -3.515 -0.170 1.00 0.00 N ATOM 691 CA TYR B 26 -6.872 -2.031 -0.258 1.00 0.00 C ATOM 692 C TYR B 26 -8.268 -1.661 -0.772 1.00 0.00 C ATOM 693 O TYR B 26 -8.595 -1.875 -1.922 1.00 0.00 O ATOM 694 CB TYR B 26 -5.760 -1.501 -1.189 1.00 0.00 C ATOM 695 CG TYR B 26 -6.327 -0.766 -2.387 1.00 0.00 C ATOM 696 CD1 TYR B 26 -6.920 0.492 -2.220 1.00 0.00 C ATOM 697 CD2 TYR B 26 -6.258 -1.344 -3.662 1.00 0.00 C ATOM 698 CE1 TYR B 26 -7.444 1.173 -3.327 1.00 0.00 C ATOM 699 CE2 TYR B 26 -6.781 -0.664 -4.769 1.00 0.00 C ATOM 700 CZ TYR B 26 -7.375 0.594 -4.602 1.00 0.00 C ATOM 701 OH TYR B 26 -7.891 1.265 -5.694 1.00 0.00 O ATOM 0 H TYR B 26 -6.384 -3.973 -0.999 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.740 -1.573 0.722 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.106 -0.832 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.146 -2.334 -1.532 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.973 0.937 -1.238 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.801 -2.314 -3.791 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.901 2.143 -3.198 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.726 -1.109 -5.751 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.761 0.725 -6.501 1.00 0.00 H new ATOM 711 N THR B 27 -9.092 -1.112 0.076 1.00 0.00 N ATOM 712 CA THR B 27 -10.462 -0.732 -0.362 1.00 0.00 C ATOM 713 C THR B 27 -10.555 0.788 -0.486 1.00 0.00 C ATOM 714 O THR B 27 -9.565 1.489 -0.413 1.00 0.00 O ATOM 715 CB THR B 27 -11.481 -1.225 0.669 1.00 0.00 C ATOM 716 OG1 THR B 27 -11.387 -0.426 1.840 1.00 0.00 O ATOM 717 CG2 THR B 27 -11.190 -2.684 1.019 1.00 0.00 C ATOM 0 H THR B 27 -8.876 -0.911 1.052 1.00 0.00 H new ATOM 0 HA THR B 27 -10.674 -1.187 -1.329 1.00 0.00 H new ATOM 0 HB THR B 27 -12.486 -1.148 0.255 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.039 -0.738 2.502 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.916 -3.034 1.753 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.260 -3.295 0.119 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.186 -2.765 1.435 1.00 0.00 H new ATOM 725 N LYS B 28 -11.738 1.304 -0.674 1.00 0.00 N ATOM 726 CA LYS B 28 -11.893 2.779 -0.803 1.00 0.00 C ATOM 727 C LYS B 28 -11.145 3.258 -2.053 1.00 0.00 C ATOM 728 O LYS B 28 -9.931 3.305 -2.061 1.00 0.00 O ATOM 729 CB LYS B 28 -11.303 3.459 0.435 1.00 0.00 C ATOM 730 CG LYS B 28 -11.571 4.964 0.372 1.00 0.00 C ATOM 731 CD LYS B 28 -12.949 5.264 0.962 1.00 0.00 C ATOM 732 CE LYS B 28 -12.857 6.481 1.883 1.00 0.00 C ATOM 733 NZ LYS B 28 -14.091 6.567 2.716 1.00 0.00 N ATOM 0 H LYS B 28 -12.603 0.768 -0.744 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.950 3.032 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.745 3.038 1.338 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.230 3.272 0.488 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.802 5.504 0.925 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.523 5.309 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.665 5.453 0.162 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.314 4.401 1.518 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.978 6.401 2.523 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.740 7.390 1.292 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.030 7.394 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.922 6.662 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.184 5.704 3.289 1.00 0.00 H new ATOM 747 N PRO B 29 -11.890 3.601 -3.077 1.00 0.00 N ATOM 748 CA PRO B 29 -11.315 4.079 -4.346 1.00 0.00 C ATOM 749 C PRO B 29 -10.855 5.533 -4.208 1.00 0.00 C ATOM 750 O PRO B 29 -10.808 6.078 -3.122 1.00 0.00 O ATOM 751 CB PRO B 29 -12.476 3.957 -5.337 1.00 0.00 C ATOM 752 CG PRO B 29 -13.773 3.960 -4.493 1.00 0.00 C ATOM 753 CD PRO B 29 -13.367 3.548 -3.065 1.00 0.00 C ATOM 0 HA PRO B 29 -10.437 3.515 -4.661 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.471 4.786 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.394 3.040 -5.920 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.235 4.947 -4.495 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -14.505 3.265 -4.904 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.784 4.227 -2.321 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.727 2.549 -2.821 1.00 0.00 H new ATOM 761 N THR B 30 -10.514 6.164 -5.297 1.00 0.00 N ATOM 762 CA THR B 30 -10.056 7.580 -5.223 1.00 0.00 C ATOM 763 C THR B 30 -8.996 7.717 -4.128 1.00 0.00 C ATOM 764 O THR B 30 -9.149 8.538 -3.187 1.00 0.00 O ATOM 765 CB THR B 30 -11.248 8.484 -4.897 1.00 0.00 C ATOM 766 OG1 THR B 30 -12.104 7.820 -3.978 1.00 0.00 O ATOM 767 CG2 THR B 30 -12.017 8.797 -6.180 1.00 0.00 C ATOM 768 OXT THR B 30 -7.990 6.982 -4.217 1.00 0.00 O ATOM 0 H THR B 30 -10.532 5.761 -6.234 1.00 0.00 H new ATOM 0 HA THR B 30 -9.627 7.875 -6.181 1.00 0.00 H new ATOM 0 HB THR B 30 -10.891 9.414 -4.455 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.575 7.478 -3.227 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.866 9.441 -5.948 1.00 0.00 H new ATOM 0 HG22 THR B 30 -11.358 9.305 -6.884 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.376 7.869 -6.624 1.00 0.00 H new TER 776 THR B 30