USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 372 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+ 172:sc= -2.68! (180deg=-2.98!) 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= 0 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= -0.991 X(o=-0.99,f=-0.63) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 145:sc= 0.409 USER MOD Single : A 21 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.028) USER MOD Single : B 24 ASN : amide:sc= -4.4! C(o=-4.4!,f=-4.3!) USER MOD Single : B 25 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : B 26 HIS : no HD1:sc= -7.04! C(o=-7!,f=-14!) USER MOD Single : B 30 SER OG : rot 72:sc= 0.208 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 165:sc= -2.46! USER MOD Single : B 48 THR OG1 : rot -11:sc= 0.649 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 3:sc= 1.13! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.627 8.204 4.983 1.00 0.00 N ATOM 2 CA GLY A 1 -7.102 6.866 5.507 1.00 0.00 C ATOM 3 C GLY A 1 -5.764 6.377 5.061 1.00 0.00 C ATOM 4 O GLY A 1 -4.740 6.757 5.596 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.616 8.329 5.280 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.049 8.978 5.368 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.573 8.215 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.082 6.926 6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.834 6.102 5.244 1.00 0.00 H new ATOM 10 N ILE A 2 -5.733 5.524 4.074 1.00 0.00 N ATOM 11 CA ILE A 2 -4.427 4.998 3.585 1.00 0.00 C ATOM 12 C ILE A 2 -3.930 5.860 2.422 1.00 0.00 C ATOM 13 O ILE A 2 -2.745 6.065 2.250 1.00 0.00 O ATOM 14 CB ILE A 2 -4.605 3.556 3.108 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.021 2.676 4.290 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.283 3.045 2.535 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.907 1.202 3.895 1.00 0.00 C ATOM 0 H ILE A 2 -6.555 5.169 3.585 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.699 5.027 4.396 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.376 3.519 2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.386 2.883 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.045 2.906 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.407 2.017 2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.984 3.672 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.514 3.081 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.203 0.576 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.560 1.001 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.876 0.977 3.621 1.00 0.00 H new ATOM 29 N VAL A 3 -4.827 6.366 1.622 1.00 0.00 N ATOM 30 CA VAL A 3 -4.407 7.213 0.470 1.00 0.00 C ATOM 31 C VAL A 3 -3.776 8.501 0.992 1.00 0.00 C ATOM 32 O VAL A 3 -2.941 9.104 0.349 1.00 0.00 O ATOM 33 CB VAL A 3 -5.630 7.557 -0.380 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.434 6.287 -0.649 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.508 8.562 0.370 1.00 0.00 C ATOM 0 H VAL A 3 -5.833 6.230 1.716 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.682 6.670 -0.136 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.304 7.992 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.307 6.530 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.811 5.568 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.759 5.855 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.380 8.807 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.834 8.127 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.936 9.469 0.567 1.00 0.00 H new ATOM 45 N GLU A 4 -4.176 8.926 2.151 1.00 0.00 N ATOM 46 CA GLU A 4 -3.612 10.179 2.724 1.00 0.00 C ATOM 47 C GLU A 4 -2.252 9.887 3.362 1.00 0.00 C ATOM 48 O GLU A 4 -1.624 10.759 3.928 1.00 0.00 O ATOM 49 CB GLU A 4 -4.568 10.728 3.787 1.00 0.00 C ATOM 50 CG GLU A 4 -6.008 10.342 3.433 1.00 0.00 C ATOM 51 CD GLU A 4 -6.980 11.197 4.248 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.716 11.405 5.421 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.972 11.629 3.685 1.00 0.00 O ATOM 0 H GLU A 4 -4.873 8.460 2.732 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.487 10.916 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.305 10.330 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.476 11.812 3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.184 10.489 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.174 9.285 3.641 1.00 0.00 H new ATOM 60 N GLN A 5 -1.792 8.669 3.276 1.00 0.00 N ATOM 61 CA GLN A 5 -0.472 8.328 3.879 1.00 0.00 C ATOM 62 C GLN A 5 0.573 8.175 2.769 1.00 0.00 C ATOM 63 O GLN A 5 1.673 8.683 2.866 1.00 0.00 O ATOM 64 CB GLN A 5 -0.588 7.014 4.654 1.00 0.00 C ATOM 65 CG GLN A 5 -1.086 7.296 6.073 1.00 0.00 C ATOM 66 CD GLN A 5 -0.046 6.814 7.087 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.748 7.593 7.578 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.015 5.553 7.425 1.00 0.00 N ATOM 0 H GLN A 5 -2.272 7.896 2.815 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.167 9.124 4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.275 6.339 4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.380 6.515 4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.266 8.363 6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.036 6.790 6.243 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.680 4.898 7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.675 5.223 8.100 1.00 0.00 H new ATOM 77 N CYS A 6 0.240 7.476 1.717 1.00 0.00 N ATOM 78 CA CYS A 6 1.216 7.287 0.606 1.00 0.00 C ATOM 79 C CYS A 6 0.932 8.294 -0.511 1.00 0.00 C ATOM 80 O CYS A 6 1.830 8.750 -1.189 1.00 0.00 O ATOM 81 CB CYS A 6 1.085 5.868 0.047 1.00 0.00 C ATOM 82 SG CYS A 6 1.847 4.690 1.191 1.00 0.00 S ATOM 0 H CYS A 6 -0.666 7.028 1.579 1.00 0.00 H new ATOM 0 HA CYS A 6 2.225 7.442 0.987 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.034 5.620 -0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.566 5.805 -0.929 1.00 0.00 H new ATOM 87 N CYS A 7 -0.310 8.639 -0.714 1.00 0.00 N ATOM 88 CA CYS A 7 -0.647 9.610 -1.796 1.00 0.00 C ATOM 89 C CYS A 7 -0.214 11.019 -1.382 1.00 0.00 C ATOM 90 O CYS A 7 -0.176 11.927 -2.187 1.00 0.00 O ATOM 91 CB CYS A 7 -2.154 9.597 -2.036 1.00 0.00 C ATOM 92 SG CYS A 7 -2.498 9.898 -3.786 1.00 0.00 S ATOM 0 H CYS A 7 -1.106 8.292 -0.179 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.125 9.325 -2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.571 8.636 -1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.636 10.360 -1.425 1.00 0.00 H new ATOM 97 N THR A 8 0.110 11.212 -0.134 1.00 0.00 N ATOM 98 CA THR A 8 0.541 12.565 0.319 1.00 0.00 C ATOM 99 C THR A 8 2.067 12.594 0.412 1.00 0.00 C ATOM 100 O THR A 8 2.701 13.595 0.144 1.00 0.00 O ATOM 101 CB THR A 8 -0.066 12.865 1.693 1.00 0.00 C ATOM 102 OG1 THR A 8 0.100 14.244 1.992 1.00 0.00 O ATOM 103 CG2 THR A 8 0.633 12.021 2.758 1.00 0.00 C ATOM 0 H THR A 8 0.095 10.494 0.590 1.00 0.00 H new ATOM 0 HA THR A 8 0.201 13.318 -0.392 1.00 0.00 H new ATOM 0 HB THR A 8 -1.128 12.622 1.682 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.289 14.437 2.870 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.200 12.236 3.735 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.502 10.964 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.696 12.261 2.772 1.00 0.00 H new ATOM 111 N SER A 9 2.659 11.492 0.783 1.00 0.00 N ATOM 112 CA SER A 9 4.143 11.432 0.888 1.00 0.00 C ATOM 113 C SER A 9 4.625 10.114 0.285 1.00 0.00 C ATOM 114 O SER A 9 3.873 9.167 0.163 1.00 0.00 O ATOM 115 CB SER A 9 4.559 11.501 2.358 1.00 0.00 C ATOM 116 OG SER A 9 4.775 12.858 2.721 1.00 0.00 O ATOM 0 H SER A 9 2.175 10.626 1.019 1.00 0.00 H new ATOM 0 HA SER A 9 4.585 12.272 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.785 11.063 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.467 10.920 2.519 1.00 0.00 H new ATOM 0 HG SER A 9 5.040 12.906 3.663 1.00 0.00 H new ATOM 122 N ILE A 10 5.867 10.040 -0.095 1.00 0.00 N ATOM 123 CA ILE A 10 6.381 8.778 -0.690 1.00 0.00 C ATOM 124 C ILE A 10 6.686 7.775 0.424 1.00 0.00 C ATOM 125 O ILE A 10 7.737 7.805 1.032 1.00 0.00 O ATOM 126 CB ILE A 10 7.651 9.071 -1.485 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.419 10.290 -2.380 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.992 7.862 -2.352 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.283 9.991 -3.360 1.00 0.00 C ATOM 0 H ILE A 10 6.547 10.796 -0.020 1.00 0.00 H new ATOM 0 HA ILE A 10 5.629 8.356 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 10 8.474 9.274 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.170 11.160 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.331 10.533 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.898 8.067 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.152 6.992 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.169 7.663 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.116 10.858 -3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.551 9.133 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.372 9.769 -2.804 1.00 0.00 H new ATOM 141 N CYS A 11 5.768 6.889 0.697 1.00 0.00 N ATOM 142 CA CYS A 11 5.993 5.883 1.772 1.00 0.00 C ATOM 143 C CYS A 11 6.930 4.785 1.266 1.00 0.00 C ATOM 144 O CYS A 11 7.084 4.585 0.077 1.00 0.00 O ATOM 145 CB CYS A 11 4.653 5.260 2.167 1.00 0.00 C ATOM 146 SG CYS A 11 3.801 4.683 0.679 1.00 0.00 S ATOM 0 H CYS A 11 4.869 6.819 0.220 1.00 0.00 H new ATOM 0 HA CYS A 11 6.444 6.372 2.636 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.814 4.429 2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.039 5.992 2.691 1.00 0.00 H new ATOM 151 N SER A 12 7.551 4.067 2.162 1.00 0.00 N ATOM 152 CA SER A 12 8.473 2.975 1.739 1.00 0.00 C ATOM 153 C SER A 12 7.683 1.677 1.586 1.00 0.00 C ATOM 154 O SER A 12 6.751 1.411 2.324 1.00 0.00 O ATOM 155 CB SER A 12 9.561 2.789 2.798 1.00 0.00 C ATOM 156 OG SER A 12 8.952 2.542 4.059 1.00 0.00 O ATOM 0 H SER A 12 7.459 4.190 3.170 1.00 0.00 H new ATOM 0 HA SER A 12 8.935 3.235 0.786 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.211 1.957 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.188 3.679 2.852 1.00 0.00 H new ATOM 0 HG SER A 12 9.647 2.421 4.740 1.00 0.00 H new ATOM 162 N LEU A 13 8.045 0.865 0.634 1.00 0.00 N ATOM 163 CA LEU A 13 7.313 -0.413 0.438 1.00 0.00 C ATOM 164 C LEU A 13 7.135 -1.100 1.791 1.00 0.00 C ATOM 165 O LEU A 13 6.225 -1.881 1.985 1.00 0.00 O ATOM 166 CB LEU A 13 8.107 -1.323 -0.499 1.00 0.00 C ATOM 167 CG LEU A 13 7.187 -2.417 -1.042 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.732 -2.045 -2.453 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.948 -3.743 -1.086 1.00 0.00 C ATOM 0 H LEU A 13 8.814 1.031 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 13 6.337 -0.212 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.524 -0.742 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.946 -1.769 0.034 1.00 0.00 H new ATOM 0 HG LEU A 13 6.316 -2.517 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.076 -2.824 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.193 -1.098 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.602 -1.947 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.294 -4.525 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.817 -3.642 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.275 -4.008 -0.081 1.00 0.00 H new ATOM 181 N TYR A 14 7.992 -0.813 2.732 1.00 0.00 N ATOM 182 CA TYR A 14 7.859 -1.448 4.071 1.00 0.00 C ATOM 183 C TYR A 14 6.650 -0.852 4.790 1.00 0.00 C ATOM 184 O TYR A 14 5.976 -1.521 5.548 1.00 0.00 O ATOM 185 CB TYR A 14 9.122 -1.196 4.895 1.00 0.00 C ATOM 186 CG TYR A 14 9.284 -2.344 5.918 1.00 0.00 C ATOM 187 CD1 TYR A 14 9.682 -3.638 5.498 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.026 -2.132 7.294 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.820 -4.675 6.430 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.168 -3.180 8.213 1.00 0.00 C ATOM 191 CZ TYR A 14 9.565 -4.446 7.781 1.00 0.00 C ATOM 192 OH TYR A 14 9.704 -5.473 8.693 1.00 0.00 O ATOM 0 H TYR A 14 8.776 -0.168 2.631 1.00 0.00 H new ATOM 0 HA TYR A 14 7.723 -2.523 3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.994 -1.145 4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.052 -0.238 5.410 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.880 -3.826 4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.718 -1.156 7.638 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.126 -5.657 6.100 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.969 -3.007 9.260 1.00 0.00 H new ATOM 0 HH TYR A 14 9.489 -5.144 9.591 1.00 0.00 H new ATOM 202 N GLN A 15 6.360 0.398 4.552 1.00 0.00 N ATOM 203 CA GLN A 15 5.182 1.018 5.216 1.00 0.00 C ATOM 204 C GLN A 15 3.921 0.350 4.683 1.00 0.00 C ATOM 205 O GLN A 15 2.968 0.132 5.405 1.00 0.00 O ATOM 206 CB GLN A 15 5.144 2.519 4.914 1.00 0.00 C ATOM 207 CG GLN A 15 5.751 3.294 6.086 1.00 0.00 C ATOM 208 CD GLN A 15 4.963 2.993 7.362 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.539 2.792 8.413 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.659 2.953 7.314 1.00 0.00 N ATOM 0 H GLN A 15 6.885 1.013 3.930 1.00 0.00 H new ATOM 0 HA GLN A 15 5.248 0.882 6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.698 2.730 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.116 2.840 4.746 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.796 3.015 6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.731 4.364 5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.176 3.122 6.432 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.123 2.753 8.159 1.00 0.00 H new ATOM 219 N LEU A 16 3.912 -0.002 3.428 1.00 0.00 N ATOM 220 CA LEU A 16 2.719 -0.679 2.867 1.00 0.00 C ATOM 221 C LEU A 16 2.583 -2.043 3.531 1.00 0.00 C ATOM 222 O LEU A 16 1.499 -2.516 3.792 1.00 0.00 O ATOM 223 CB LEU A 16 2.892 -0.863 1.366 1.00 0.00 C ATOM 224 CG LEU A 16 2.794 0.489 0.671 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.546 1.226 1.149 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.036 1.327 0.980 1.00 0.00 C ATOM 0 H LEU A 16 4.678 0.151 2.772 1.00 0.00 H new ATOM 0 HA LEU A 16 1.828 -0.078 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.857 -1.323 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.127 -1.537 0.981 1.00 0.00 H new ATOM 0 HG LEU A 16 2.729 0.330 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.480 2.192 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.661 0.635 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.604 1.378 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.958 2.292 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.112 1.482 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.925 0.805 0.625 1.00 0.00 H new ATOM 238 N GLU A 17 3.678 -2.674 3.828 1.00 0.00 N ATOM 239 CA GLU A 17 3.595 -3.992 4.498 1.00 0.00 C ATOM 240 C GLU A 17 2.628 -3.865 5.672 1.00 0.00 C ATOM 241 O GLU A 17 1.872 -4.768 5.974 1.00 0.00 O ATOM 242 CB GLU A 17 4.980 -4.396 5.004 1.00 0.00 C ATOM 243 CG GLU A 17 5.601 -5.415 4.046 1.00 0.00 C ATOM 244 CD GLU A 17 5.925 -4.738 2.714 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.050 -4.077 2.179 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.043 -4.892 2.251 1.00 0.00 O ATOM 0 H GLU A 17 4.621 -2.336 3.637 1.00 0.00 H new ATOM 0 HA GLU A 17 3.242 -4.753 3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.620 -3.517 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.902 -4.823 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.508 -5.833 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.912 -6.245 3.885 1.00 0.00 H new ATOM 253 N ASN A 18 2.636 -2.735 6.328 1.00 0.00 N ATOM 254 CA ASN A 18 1.706 -2.537 7.476 1.00 0.00 C ATOM 255 C ASN A 18 0.288 -2.310 6.946 1.00 0.00 C ATOM 256 O ASN A 18 -0.687 -2.502 7.645 1.00 0.00 O ATOM 257 CB ASN A 18 2.150 -1.318 8.286 1.00 0.00 C ATOM 258 CG ASN A 18 1.335 -1.240 9.577 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.475 -0.393 9.717 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.571 -2.095 10.534 1.00 0.00 N ATOM 0 H ASN A 18 3.244 -1.943 6.119 1.00 0.00 H new ATOM 0 HA ASN A 18 1.719 -3.421 8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.213 -1.389 8.518 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.012 -0.409 7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.034 -2.053 11.400 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.293 -2.806 10.416 1.00 0.00 H new ATOM 267 N TYR A 19 0.169 -1.898 5.713 1.00 0.00 N ATOM 268 CA TYR A 19 -1.179 -1.653 5.128 1.00 0.00 C ATOM 269 C TYR A 19 -1.987 -2.951 5.161 1.00 0.00 C ATOM 270 O TYR A 19 -3.199 -2.943 5.073 1.00 0.00 O ATOM 271 CB TYR A 19 -1.032 -1.175 3.677 1.00 0.00 C ATOM 272 CG TYR A 19 -0.543 0.308 3.674 1.00 0.00 C ATOM 273 CD1 TYR A 19 0.284 0.816 4.721 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.910 1.197 2.631 1.00 0.00 C ATOM 275 CE1 TYR A 19 0.712 2.147 4.703 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.468 2.524 2.634 1.00 0.00 C ATOM 277 CZ TYR A 19 0.339 2.996 3.666 1.00 0.00 C ATOM 278 OH TYR A 19 0.766 4.307 3.664 1.00 0.00 O ATOM 0 H TYR A 19 0.952 -1.720 5.083 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.694 -0.887 5.708 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.321 -1.806 3.143 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.986 -1.257 3.156 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.581 0.168 5.532 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.538 0.845 1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.337 2.519 5.501 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.754 3.187 1.831 1.00 0.00 H new ATOM 0 HH TYR A 19 0.932 4.596 2.742 1.00 0.00 H new ATOM 288 N CYS A 20 -1.324 -4.068 5.289 1.00 0.00 N ATOM 289 CA CYS A 20 -2.055 -5.365 5.329 1.00 0.00 C ATOM 290 C CYS A 20 -2.245 -5.796 6.784 1.00 0.00 C ATOM 291 O CYS A 20 -1.915 -6.902 7.162 1.00 0.00 O ATOM 292 CB CYS A 20 -1.248 -6.426 4.581 1.00 0.00 C ATOM 293 SG CYS A 20 -0.722 -5.761 2.983 1.00 0.00 S ATOM 0 H CYS A 20 -0.309 -4.138 5.367 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.030 -5.250 4.855 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.379 -6.720 5.169 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.851 -7.322 4.434 1.00 0.00 H new ATOM 298 N ASN A 21 -2.775 -4.929 7.602 1.00 0.00 N ATOM 299 CA ASN A 21 -2.985 -5.287 9.033 1.00 0.00 C ATOM 300 C ASN A 21 -4.462 -5.609 9.267 1.00 0.00 C ATOM 301 O ASN A 21 -5.280 -4.727 9.061 1.00 0.00 O ATOM 302 CB ASN A 21 -2.572 -4.109 9.917 1.00 0.00 C ATOM 303 CG ASN A 21 -2.081 -4.631 11.269 1.00 0.00 C ATOM 304 OD1 ASN A 21 -1.268 -4.003 11.917 1.00 0.00 O ATOM 305 ND2 ASN A 21 -2.546 -5.762 11.725 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.751 -6.731 9.649 1.00 0.00 O ATOM 0 H ASN A 21 -3.072 -3.988 7.341 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.381 -6.159 9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.785 -3.534 9.430 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.417 -3.435 10.061 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.227 -6.119 12.626 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.229 -6.289 11.181 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 10.817 -1.194 -2.971 1.00 0.00 N ATOM 315 CA PHE B 22 11.293 -0.016 -3.750 1.00 0.00 C ATOM 316 C PHE B 22 10.453 1.214 -3.387 1.00 0.00 C ATOM 317 O PHE B 22 9.239 1.180 -3.421 1.00 0.00 O ATOM 318 CB PHE B 22 11.155 -0.305 -5.248 1.00 0.00 C ATOM 319 CG PHE B 22 9.742 -0.740 -5.555 1.00 0.00 C ATOM 320 CD1 PHE B 22 8.768 0.216 -5.873 1.00 0.00 C ATOM 321 CD2 PHE B 22 9.405 -2.101 -5.528 1.00 0.00 C ATOM 322 CE1 PHE B 22 7.458 -0.188 -6.163 1.00 0.00 C ATOM 323 CE2 PHE B 22 8.095 -2.504 -5.817 1.00 0.00 C ATOM 324 CZ PHE B 22 7.121 -1.548 -6.134 1.00 0.00 C ATOM 0 HA PHE B 22 12.339 0.177 -3.511 1.00 0.00 H new ATOM 0 HB2 PHE B 22 11.405 0.586 -5.824 1.00 0.00 H new ATOM 0 HB3 PHE B 22 11.858 -1.084 -5.544 1.00 0.00 H new ATOM 0 HD1 PHE B 22 9.027 1.264 -5.895 1.00 0.00 H new ATOM 0 HD2 PHE B 22 10.156 -2.838 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE B 22 6.708 0.549 -6.409 1.00 0.00 H new ATOM 0 HE2 PHE B 22 7.836 -3.552 -5.795 1.00 0.00 H new ATOM 0 HZ PHE B 22 6.111 -1.859 -6.356 1.00 0.00 H new ATOM 336 N VAL B 23 11.091 2.301 -3.043 1.00 0.00 N ATOM 337 CA VAL B 23 10.331 3.534 -2.682 1.00 0.00 C ATOM 338 C VAL B 23 10.611 4.617 -3.730 1.00 0.00 C ATOM 339 O VAL B 23 11.199 4.358 -4.760 1.00 0.00 O ATOM 340 CB VAL B 23 10.772 4.012 -1.287 1.00 0.00 C ATOM 341 CG1 VAL B 23 12.125 4.711 -1.377 1.00 0.00 C ATOM 342 CG2 VAL B 23 9.742 4.978 -0.686 1.00 0.00 C ATOM 0 H VAL B 23 12.106 2.389 -2.996 1.00 0.00 H new ATOM 0 HA VAL B 23 9.261 3.325 -2.661 1.00 0.00 H new ATOM 0 HB VAL B 23 10.852 3.137 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL B 23 12.428 5.046 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL B 23 12.868 4.016 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL B 23 12.047 5.571 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL B 23 10.078 5.301 0.300 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.636 5.847 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.780 4.474 -0.595 1.00 0.00 H new ATOM 352 N ASN B 24 10.182 5.818 -3.471 1.00 0.00 N ATOM 353 CA ASN B 24 10.395 6.943 -4.429 1.00 0.00 C ATOM 354 C ASN B 24 9.309 6.909 -5.506 1.00 0.00 C ATOM 355 O ASN B 24 9.548 7.218 -6.656 1.00 0.00 O ATOM 356 CB ASN B 24 11.778 6.838 -5.078 1.00 0.00 C ATOM 357 CG ASN B 24 12.829 6.566 -3.999 1.00 0.00 C ATOM 358 OD1 ASN B 24 12.979 7.339 -3.073 1.00 0.00 O ATOM 359 ND2 ASN B 24 13.571 5.495 -4.080 1.00 0.00 N ATOM 0 H ASN B 24 9.683 6.075 -2.620 1.00 0.00 H new ATOM 0 HA ASN B 24 10.338 7.886 -3.886 1.00 0.00 H new ATOM 0 HB2 ASN B 24 11.785 6.037 -5.817 1.00 0.00 H new ATOM 0 HB3 ASN B 24 12.015 7.762 -5.606 1.00 0.00 H new ATOM 0 HD21 ASN B 24 14.276 5.308 -3.367 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.446 4.846 -4.857 1.00 0.00 H new ATOM 366 N GLN B 25 8.111 6.545 -5.133 1.00 0.00 N ATOM 367 CA GLN B 25 6.993 6.499 -6.119 1.00 0.00 C ATOM 368 C GLN B 25 5.720 7.010 -5.439 1.00 0.00 C ATOM 369 O GLN B 25 5.716 7.302 -4.260 1.00 0.00 O ATOM 370 CB GLN B 25 6.786 5.058 -6.594 1.00 0.00 C ATOM 371 CG GLN B 25 7.217 4.936 -8.057 1.00 0.00 C ATOM 372 CD GLN B 25 7.081 3.481 -8.507 1.00 0.00 C ATOM 373 OE1 GLN B 25 6.223 2.763 -8.033 1.00 0.00 O ATOM 374 NE2 GLN B 25 7.897 3.011 -9.410 1.00 0.00 N ATOM 0 H GLN B 25 7.858 6.276 -4.182 1.00 0.00 H new ATOM 0 HA GLN B 25 7.228 7.124 -6.981 1.00 0.00 H new ATOM 0 HB2 GLN B 25 7.365 4.373 -5.975 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.739 4.776 -6.488 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.601 5.581 -8.684 1.00 0.00 H new ATOM 0 HG3 GLN B 25 8.248 5.269 -8.173 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.618 3.613 -9.809 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.814 2.042 -9.717 1.00 0.00 H new ATOM 383 N HIS B 26 4.639 7.130 -6.163 1.00 0.00 N ATOM 384 CA HIS B 26 3.387 7.632 -5.529 1.00 0.00 C ATOM 385 C HIS B 26 2.220 6.733 -5.946 1.00 0.00 C ATOM 386 O HIS B 26 2.388 5.816 -6.726 1.00 0.00 O ATOM 387 CB HIS B 26 3.132 9.068 -5.988 1.00 0.00 C ATOM 388 CG HIS B 26 2.713 9.896 -4.808 1.00 0.00 C ATOM 389 ND1 HIS B 26 3.264 9.685 -3.562 1.00 0.00 N ATOM 390 CD2 HIS B 26 1.832 10.935 -4.698 1.00 0.00 C ATOM 391 CE1 HIS B 26 2.715 10.589 -2.742 1.00 0.00 C ATOM 392 NE2 HIS B 26 1.832 11.376 -3.391 1.00 0.00 N ATOM 0 H HIS B 26 4.569 6.905 -7.155 1.00 0.00 H new ATOM 0 HA HIS B 26 3.484 7.615 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS B 26 4.033 9.484 -6.438 1.00 0.00 H new ATOM 0 HB3 HIS B 26 2.356 9.086 -6.754 1.00 0.00 H new ATOM 0 HD2 HIS B 26 1.235 11.343 -5.501 1.00 0.00 H new ATOM 0 HE1 HIS B 26 2.950 10.678 -1.692 1.00 0.00 H new ATOM 0 HE2 HIS B 26 1.280 12.138 -2.997 1.00 0.00 H new ATOM 400 N LEU B 27 1.039 6.967 -5.432 1.00 0.00 N ATOM 401 CA LEU B 27 -0.108 6.089 -5.815 1.00 0.00 C ATOM 402 C LEU B 27 -1.450 6.777 -5.527 1.00 0.00 C ATOM 403 O LEU B 27 -1.512 7.963 -5.321 1.00 0.00 O ATOM 404 CB LEU B 27 -0.038 4.771 -5.032 1.00 0.00 C ATOM 405 CG LEU B 27 0.881 4.916 -3.818 1.00 0.00 C ATOM 406 CD1 LEU B 27 0.449 6.119 -2.975 1.00 0.00 C ATOM 407 CD2 LEU B 27 0.784 3.648 -2.974 1.00 0.00 C ATOM 0 H LEU B 27 0.821 7.715 -4.774 1.00 0.00 H new ATOM 0 HA LEU B 27 -0.040 5.891 -6.885 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -1.037 4.481 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU B 27 0.329 3.975 -5.680 1.00 0.00 H new ATOM 0 HG LEU B 27 1.907 5.068 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU B 27 1.109 6.215 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU B 27 0.506 7.025 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -0.576 5.975 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU B 27 1.435 3.739 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -0.245 3.509 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU B 27 1.093 2.789 -3.570 1.00 0.00 H new ATOM 419 N CYS B 28 -2.510 6.001 -5.532 1.00 0.00 N ATOM 420 CA CYS B 28 -3.905 6.499 -5.284 1.00 0.00 C ATOM 421 C CYS B 28 -4.872 5.676 -6.130 1.00 0.00 C ATOM 422 O CYS B 28 -4.510 5.135 -7.155 1.00 0.00 O ATOM 423 CB CYS B 28 -4.085 7.991 -5.618 1.00 0.00 C ATOM 424 SG CYS B 28 -4.247 8.936 -4.074 1.00 0.00 S ATOM 0 H CYS B 28 -2.462 4.997 -5.706 1.00 0.00 H new ATOM 0 HA CYS B 28 -4.108 6.387 -4.219 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -3.232 8.353 -6.192 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -4.969 8.132 -6.239 1.00 0.00 H new ATOM 429 N GLY B 29 -6.098 5.568 -5.704 1.00 0.00 N ATOM 430 CA GLY B 29 -7.085 4.771 -6.482 1.00 0.00 C ATOM 431 C GLY B 29 -6.468 3.422 -6.859 1.00 0.00 C ATOM 432 O GLY B 29 -6.105 2.633 -6.008 1.00 0.00 O ATOM 0 H GLY B 29 -6.459 5.996 -4.852 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -7.989 4.617 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -7.378 5.313 -7.381 1.00 0.00 H new ATOM 436 N SER B 30 -6.349 3.151 -8.129 1.00 0.00 N ATOM 437 CA SER B 30 -5.764 1.852 -8.564 1.00 0.00 C ATOM 438 C SER B 30 -4.298 1.762 -8.128 1.00 0.00 C ATOM 439 O SER B 30 -3.890 0.801 -7.507 1.00 0.00 O ATOM 440 CB SER B 30 -5.849 1.743 -10.087 1.00 0.00 C ATOM 441 OG SER B 30 -6.379 2.952 -10.615 1.00 0.00 O ATOM 0 H SER B 30 -6.632 3.774 -8.885 1.00 0.00 H new ATOM 0 HA SER B 30 -6.323 1.037 -8.104 1.00 0.00 H new ATOM 0 HB2 SER B 30 -4.861 1.552 -10.505 1.00 0.00 H new ATOM 0 HB3 SER B 30 -6.482 0.901 -10.368 1.00 0.00 H new ATOM 0 HG SER B 30 -5.709 3.663 -10.540 1.00 0.00 H new ATOM 447 N ASP B 31 -3.499 2.745 -8.452 1.00 0.00 N ATOM 448 CA ASP B 31 -2.060 2.694 -8.055 1.00 0.00 C ATOM 449 C ASP B 31 -1.943 2.211 -6.611 1.00 0.00 C ATOM 450 O ASP B 31 -1.053 1.457 -6.271 1.00 0.00 O ATOM 451 CB ASP B 31 -1.430 4.083 -8.171 1.00 0.00 C ATOM 452 CG ASP B 31 -1.752 4.680 -9.542 1.00 0.00 C ATOM 453 OD1 ASP B 31 -1.987 3.911 -10.460 1.00 0.00 O ATOM 454 OD2 ASP B 31 -1.758 5.895 -9.651 1.00 0.00 O ATOM 0 H ASP B 31 -3.778 3.577 -8.972 1.00 0.00 H new ATOM 0 HA ASP B 31 -1.538 2.006 -8.719 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -1.810 4.732 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -0.350 4.016 -8.037 1.00 0.00 H new ATOM 459 N LEU B 32 -2.831 2.634 -5.755 1.00 0.00 N ATOM 460 CA LEU B 32 -2.754 2.186 -4.339 1.00 0.00 C ATOM 461 C LEU B 32 -3.062 0.691 -4.274 1.00 0.00 C ATOM 462 O LEU B 32 -2.188 -0.120 -4.040 1.00 0.00 O ATOM 463 CB LEU B 32 -3.764 2.967 -3.495 1.00 0.00 C ATOM 464 CG LEU B 32 -3.097 3.430 -2.199 1.00 0.00 C ATOM 465 CD1 LEU B 32 -2.795 4.927 -2.286 1.00 0.00 C ATOM 466 CD2 LEU B 32 -4.037 3.170 -1.021 1.00 0.00 C ATOM 0 H LEU B 32 -3.601 3.266 -5.973 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.754 2.369 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -4.133 3.827 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -4.627 2.340 -3.269 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.168 2.879 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.320 5.257 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.126 5.115 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.724 5.478 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.562 3.500 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -4.966 3.721 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -4.254 2.104 -0.957 1.00 0.00 H new ATOM 478 N VAL B 33 -4.291 0.313 -4.491 1.00 0.00 N ATOM 479 CA VAL B 33 -4.631 -1.136 -4.451 1.00 0.00 C ATOM 480 C VAL B 33 -3.607 -1.900 -5.288 1.00 0.00 C ATOM 481 O VAL B 33 -3.332 -3.059 -5.049 1.00 0.00 O ATOM 482 CB VAL B 33 -6.027 -1.353 -5.034 1.00 0.00 C ATOM 483 CG1 VAL B 33 -7.047 -0.559 -4.222 1.00 0.00 C ATOM 484 CG2 VAL B 33 -6.051 -0.874 -6.487 1.00 0.00 C ATOM 0 H VAL B 33 -5.070 0.940 -4.693 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.615 -1.492 -3.421 1.00 0.00 H new ATOM 0 HB VAL B 33 -6.277 -2.413 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -8.043 -0.714 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -7.030 -0.897 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -6.798 0.501 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -7.046 -1.028 -6.904 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -5.802 0.186 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.322 -1.439 -7.068 1.00 0.00 H new ATOM 494 N GLU B 34 -3.038 -1.252 -6.268 1.00 0.00 N ATOM 495 CA GLU B 34 -2.027 -1.928 -7.121 1.00 0.00 C ATOM 496 C GLU B 34 -0.721 -2.056 -6.341 1.00 0.00 C ATOM 497 O GLU B 34 -0.235 -3.143 -6.107 1.00 0.00 O ATOM 498 CB GLU B 34 -1.792 -1.100 -8.385 1.00 0.00 C ATOM 499 CG GLU B 34 -2.578 -1.709 -9.547 1.00 0.00 C ATOM 500 CD GLU B 34 -2.430 -0.824 -10.785 1.00 0.00 C ATOM 501 OE1 GLU B 34 -1.449 -0.103 -10.860 1.00 0.00 O ATOM 502 OE2 GLU B 34 -3.301 -0.881 -11.638 1.00 0.00 O ATOM 0 H GLU B 34 -3.232 -0.281 -6.513 1.00 0.00 H new ATOM 0 HA GLU B 34 -2.384 -2.919 -7.402 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -2.105 -0.069 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -0.729 -1.076 -8.624 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -2.212 -2.714 -9.760 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -3.630 -1.803 -9.278 1.00 0.00 H new ATOM 509 N ALA B 35 -0.154 -0.957 -5.922 1.00 0.00 N ATOM 510 CA ALA B 35 1.114 -1.035 -5.146 1.00 0.00 C ATOM 511 C ALA B 35 0.863 -1.874 -3.893 1.00 0.00 C ATOM 512 O ALA B 35 1.662 -2.706 -3.513 1.00 0.00 O ATOM 513 CB ALA B 35 1.557 0.373 -4.744 1.00 0.00 C ATOM 0 H ALA B 35 -0.512 -0.015 -6.083 1.00 0.00 H new ATOM 0 HA ALA B 35 1.897 -1.492 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA B 35 2.485 0.314 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA B 35 1.717 0.974 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA B 35 0.785 0.836 -4.130 1.00 0.00 H new ATOM 519 N LEU B 36 -0.259 -1.663 -3.260 1.00 0.00 N ATOM 520 CA LEU B 36 -0.599 -2.444 -2.038 1.00 0.00 C ATOM 521 C LEU B 36 -0.658 -3.929 -2.396 1.00 0.00 C ATOM 522 O LEU B 36 -0.414 -4.794 -1.576 1.00 0.00 O ATOM 523 CB LEU B 36 -1.980 -2.002 -1.538 1.00 0.00 C ATOM 524 CG LEU B 36 -1.864 -0.763 -0.644 1.00 0.00 C ATOM 525 CD1 LEU B 36 -1.560 -1.202 0.785 1.00 0.00 C ATOM 526 CD2 LEU B 36 -0.749 0.160 -1.150 1.00 0.00 C ATOM 0 H LEU B 36 -0.960 -0.977 -3.540 1.00 0.00 H new ATOM 0 HA LEU B 36 0.153 -2.276 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -2.627 -1.784 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -2.448 -2.815 -0.982 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.806 -0.215 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -1.476 -0.324 1.425 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -2.365 -1.841 1.148 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.621 -1.755 0.804 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.680 1.035 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.200 -0.376 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -0.974 0.478 -2.168 1.00 0.00 H new ATOM 538 N TYR B 37 -0.998 -4.222 -3.619 1.00 0.00 N ATOM 539 CA TYR B 37 -1.102 -5.643 -4.056 1.00 0.00 C ATOM 540 C TYR B 37 0.279 -6.182 -4.439 1.00 0.00 C ATOM 541 O TYR B 37 0.467 -7.374 -4.582 1.00 0.00 O ATOM 542 CB TYR B 37 -2.036 -5.732 -5.265 1.00 0.00 C ATOM 543 CG TYR B 37 -1.948 -7.157 -5.862 1.00 0.00 C ATOM 544 CD1 TYR B 37 -0.980 -7.471 -6.848 1.00 0.00 C ATOM 545 CD2 TYR B 37 -2.825 -8.182 -5.428 1.00 0.00 C ATOM 546 CE1 TYR B 37 -0.901 -8.765 -7.378 1.00 0.00 C ATOM 547 CE2 TYR B 37 -2.733 -9.471 -5.970 1.00 0.00 C ATOM 548 CZ TYR B 37 -1.776 -9.760 -6.942 1.00 0.00 C ATOM 549 OH TYR B 37 -1.691 -11.032 -7.471 1.00 0.00 O ATOM 0 H TYR B 37 -1.210 -3.533 -4.341 1.00 0.00 H new ATOM 0 HA TYR B 37 -1.499 -6.240 -3.235 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -3.061 -5.511 -4.967 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -1.755 -4.991 -6.014 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -0.299 -6.707 -7.193 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -3.569 -7.968 -4.675 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.159 -8.994 -8.128 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -3.407 -10.245 -5.633 1.00 0.00 H new ATOM 0 HH TYR B 37 -2.371 -11.604 -7.058 1.00 0.00 H new ATOM 559 N LEU B 38 1.248 -5.324 -4.599 1.00 0.00 N ATOM 560 CA LEU B 38 2.612 -5.811 -4.964 1.00 0.00 C ATOM 561 C LEU B 38 3.394 -6.086 -3.685 1.00 0.00 C ATOM 562 O LEU B 38 4.066 -7.089 -3.552 1.00 0.00 O ATOM 563 CB LEU B 38 3.371 -4.763 -5.788 1.00 0.00 C ATOM 564 CG LEU B 38 2.393 -3.797 -6.449 1.00 0.00 C ATOM 565 CD1 LEU B 38 3.173 -2.753 -7.250 1.00 0.00 C ATOM 566 CD2 LEU B 38 1.468 -4.567 -7.387 1.00 0.00 C ATOM 0 H LEU B 38 1.158 -4.313 -4.494 1.00 0.00 H new ATOM 0 HA LEU B 38 2.509 -6.717 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU B 38 4.057 -4.212 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU B 38 3.975 -5.257 -6.549 1.00 0.00 H new ATOM 0 HG LEU B 38 1.799 -3.301 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.476 -2.062 -7.723 1.00 0.00 H new ATOM 0 HD12 LEU B 38 3.834 -2.201 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU B 38 3.766 -3.251 -8.017 1.00 0.00 H new ATOM 0 HD21 LEU B 38 0.770 -3.875 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.060 -5.064 -8.155 1.00 0.00 H new ATOM 0 HD23 LEU B 38 0.912 -5.312 -6.819 1.00 0.00 H new ATOM 578 N VAL B 39 3.309 -5.192 -2.741 1.00 0.00 N ATOM 579 CA VAL B 39 4.040 -5.381 -1.464 1.00 0.00 C ATOM 580 C VAL B 39 3.455 -6.583 -0.719 1.00 0.00 C ATOM 581 O VAL B 39 4.166 -7.347 -0.097 1.00 0.00 O ATOM 582 CB VAL B 39 3.898 -4.107 -0.622 1.00 0.00 C ATOM 583 CG1 VAL B 39 4.003 -2.889 -1.541 1.00 0.00 C ATOM 584 CG2 VAL B 39 2.539 -4.089 0.084 1.00 0.00 C ATOM 0 H VAL B 39 2.761 -4.334 -2.802 1.00 0.00 H new ATOM 0 HA VAL B 39 5.096 -5.570 -1.655 1.00 0.00 H new ATOM 0 HB VAL B 39 4.689 -4.082 0.128 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.903 -1.978 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.972 -2.893 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.209 -2.927 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.450 -3.180 0.679 1.00 0.00 H new ATOM 0 HG22 VAL B 39 1.742 -4.116 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.456 -4.959 0.736 1.00 0.00 H new ATOM 594 N CYS B 40 2.163 -6.754 -0.781 1.00 0.00 N ATOM 595 CA CYS B 40 1.528 -7.905 -0.081 1.00 0.00 C ATOM 596 C CYS B 40 1.123 -8.964 -1.107 1.00 0.00 C ATOM 597 O CYS B 40 0.320 -9.834 -0.833 1.00 0.00 O ATOM 598 CB CYS B 40 0.286 -7.421 0.670 1.00 0.00 C ATOM 599 SG CYS B 40 0.733 -7.023 2.377 1.00 0.00 S ATOM 0 H CYS B 40 1.519 -6.145 -1.287 1.00 0.00 H new ATOM 0 HA CYS B 40 2.236 -8.337 0.627 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.131 -6.543 0.177 1.00 0.00 H new ATOM 0 HB3 CYS B 40 -0.485 -8.191 0.655 1.00 0.00 H new ATOM 604 N GLY B 41 1.672 -8.897 -2.290 1.00 0.00 N ATOM 605 CA GLY B 41 1.318 -9.900 -3.333 1.00 0.00 C ATOM 606 C GLY B 41 1.608 -11.309 -2.810 1.00 0.00 C ATOM 607 O GLY B 41 0.743 -11.973 -2.274 1.00 0.00 O ATOM 0 H GLY B 41 2.350 -8.191 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY B 41 0.264 -9.809 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY B 41 1.891 -9.713 -4.241 1.00 0.00 H new ATOM 611 N GLU B 42 2.820 -11.769 -2.958 1.00 0.00 N ATOM 612 CA GLU B 42 3.166 -13.132 -2.468 1.00 0.00 C ATOM 613 C GLU B 42 2.810 -13.243 -0.987 1.00 0.00 C ATOM 614 O GLU B 42 1.722 -13.646 -0.625 1.00 0.00 O ATOM 615 CB GLU B 42 4.666 -13.373 -2.654 1.00 0.00 C ATOM 616 CG GLU B 42 5.061 -14.687 -1.978 1.00 0.00 C ATOM 617 CD GLU B 42 6.583 -14.835 -2.004 1.00 0.00 C ATOM 618 OE1 GLU B 42 7.119 -15.053 -3.077 1.00 0.00 O ATOM 619 OE2 GLU B 42 7.187 -14.727 -0.949 1.00 0.00 O ATOM 0 H GLU B 42 3.586 -11.259 -3.398 1.00 0.00 H new ATOM 0 HA GLU B 42 2.606 -13.877 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU B 42 4.910 -13.411 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU B 42 5.233 -12.547 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU B 42 4.701 -14.702 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.594 -15.527 -2.492 1.00 0.00 H new ATOM 626 N ARG B 43 3.722 -12.886 -0.132 1.00 0.00 N ATOM 627 CA ARG B 43 3.449 -12.961 1.330 1.00 0.00 C ATOM 628 C ARG B 43 2.081 -12.344 1.623 1.00 0.00 C ATOM 629 O ARG B 43 1.437 -11.795 0.751 1.00 0.00 O ATOM 630 CB ARG B 43 4.529 -12.185 2.085 1.00 0.00 C ATOM 631 CG ARG B 43 4.796 -10.861 1.368 1.00 0.00 C ATOM 632 CD ARG B 43 5.364 -9.847 2.362 1.00 0.00 C ATOM 633 NE ARG B 43 6.349 -10.525 3.251 1.00 0.00 N ATOM 634 CZ ARG B 43 6.177 -10.510 4.544 1.00 0.00 C ATOM 635 NH1 ARG B 43 4.972 -10.571 5.042 1.00 0.00 N ATOM 636 NH2 ARG B 43 7.210 -10.438 5.338 1.00 0.00 N ATOM 0 H ARG B 43 4.650 -12.544 -0.382 1.00 0.00 H new ATOM 0 HA ARG B 43 3.455 -14.003 1.651 1.00 0.00 H new ATOM 0 HB2 ARG B 43 4.209 -11.998 3.110 1.00 0.00 H new ATOM 0 HB3 ARG B 43 5.445 -12.773 2.139 1.00 0.00 H new ATOM 0 HG2 ARG B 43 5.498 -11.014 0.548 1.00 0.00 H new ATOM 0 HG3 ARG B 43 3.873 -10.480 0.931 1.00 0.00 H new ATOM 0 HD2 ARG B 43 5.844 -9.027 1.828 1.00 0.00 H new ATOM 0 HD3 ARG B 43 4.559 -9.413 2.956 1.00 0.00 H new ATOM 0 HE ARG B 43 7.157 -11.000 2.849 1.00 0.00 H new ATOM 0 HH11 ARG B 43 4.166 -10.630 4.420 1.00 0.00 H new ATOM 0 HH12 ARG B 43 4.837 -10.559 6.053 1.00 0.00 H new ATOM 0 HH21 ARG B 43 8.151 -10.393 4.948 1.00 0.00 H new ATOM 0 HH22 ARG B 43 7.076 -10.426 6.349 1.00 0.00 H new ATOM 650 N GLY B 44 1.630 -12.427 2.844 1.00 0.00 N ATOM 651 CA GLY B 44 0.302 -11.844 3.185 1.00 0.00 C ATOM 652 C GLY B 44 -0.795 -12.854 2.847 1.00 0.00 C ATOM 653 O GLY B 44 -1.141 -13.699 3.648 1.00 0.00 O ATOM 0 H GLY B 44 2.122 -12.872 3.619 1.00 0.00 H new ATOM 0 HA2 GLY B 44 0.265 -11.590 4.244 1.00 0.00 H new ATOM 0 HA3 GLY B 44 0.145 -10.919 2.630 1.00 0.00 H new ATOM 657 N GLY B 45 -1.345 -12.777 1.666 1.00 0.00 N ATOM 658 CA GLY B 45 -2.418 -13.737 1.283 1.00 0.00 C ATOM 659 C GLY B 45 -3.787 -13.085 1.485 1.00 0.00 C ATOM 660 O GLY B 45 -4.761 -13.748 1.782 1.00 0.00 O ATOM 0 H GLY B 45 -1.098 -12.092 0.951 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -2.297 -14.037 0.242 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -2.342 -14.642 1.886 1.00 0.00 H new ATOM 664 N PHE B 46 -3.871 -11.793 1.324 1.00 0.00 N ATOM 665 CA PHE B 46 -5.181 -11.106 1.506 1.00 0.00 C ATOM 666 C PHE B 46 -5.098 -9.684 0.948 1.00 0.00 C ATOM 667 O PHE B 46 -4.303 -9.391 0.078 1.00 0.00 O ATOM 668 CB PHE B 46 -5.531 -11.048 2.995 1.00 0.00 C ATOM 669 CG PHE B 46 -7.081 -11.153 3.146 1.00 0.00 C ATOM 670 CD1 PHE B 46 -7.942 -10.938 2.028 1.00 0.00 C ATOM 671 CD2 PHE B 46 -7.680 -11.468 4.393 1.00 0.00 C ATOM 672 CE1 PHE B 46 -9.331 -11.037 2.172 1.00 0.00 C ATOM 673 CE2 PHE B 46 -9.072 -11.562 4.513 1.00 0.00 C ATOM 674 CZ PHE B 46 -9.893 -11.347 3.408 1.00 0.00 C ATOM 0 H PHE B 46 -3.091 -11.184 1.075 1.00 0.00 H new ATOM 0 HA PHE B 46 -5.953 -11.661 0.973 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -5.043 -11.862 3.531 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -5.170 -10.117 3.433 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -7.519 -10.697 1.064 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -7.056 -11.637 5.258 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -9.971 -10.872 1.318 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -9.512 -11.803 5.469 1.00 0.00 H new ATOM 0 HZ PHE B 46 -10.966 -11.421 3.510 1.00 0.00 H new ATOM 684 N TYR B 47 -5.921 -8.799 1.442 1.00 0.00 N ATOM 685 CA TYR B 47 -5.898 -7.396 0.941 1.00 0.00 C ATOM 686 C TYR B 47 -6.194 -6.436 2.095 1.00 0.00 C ATOM 687 O TYR B 47 -5.308 -6.030 2.821 1.00 0.00 O ATOM 688 CB TYR B 47 -6.958 -7.235 -0.153 1.00 0.00 C ATOM 689 CG TYR B 47 -7.121 -5.718 -0.484 1.00 0.00 C ATOM 690 CD1 TYR B 47 -5.983 -4.877 -0.659 1.00 0.00 C ATOM 691 CD2 TYR B 47 -8.406 -5.130 -0.617 1.00 0.00 C ATOM 692 CE1 TYR B 47 -6.142 -3.518 -0.956 1.00 0.00 C ATOM 693 CE2 TYR B 47 -8.542 -3.769 -0.914 1.00 0.00 C ATOM 694 CZ TYR B 47 -7.415 -2.968 -1.084 1.00 0.00 C ATOM 695 OH TYR B 47 -7.560 -1.628 -1.376 1.00 0.00 O ATOM 0 H TYR B 47 -6.609 -8.988 2.171 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.915 -7.168 0.530 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -6.664 -7.786 -1.046 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -7.909 -7.652 0.180 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -4.990 -5.292 -0.562 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -9.288 -5.739 -0.488 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.272 -2.892 -1.087 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -9.527 -3.337 -1.012 1.00 0.00 H new ATOM 0 HH TYR B 47 -8.481 -1.454 -1.663 1.00 0.00 H new ATOM 705 N THR B 48 -7.431 -6.072 2.270 1.00 0.00 N ATOM 706 CA THR B 48 -7.786 -5.138 3.377 1.00 0.00 C ATOM 707 C THR B 48 -9.304 -5.074 3.526 1.00 0.00 C ATOM 708 O THR B 48 -9.830 -4.963 4.616 1.00 0.00 O ATOM 709 CB THR B 48 -7.247 -3.741 3.062 1.00 0.00 C ATOM 710 OG1 THR B 48 -5.828 -3.754 3.135 1.00 0.00 O ATOM 711 CG2 THR B 48 -7.803 -2.739 4.074 1.00 0.00 C ATOM 0 H THR B 48 -8.215 -6.380 1.695 1.00 0.00 H new ATOM 0 HA THR B 48 -7.344 -5.497 4.307 1.00 0.00 H new ATOM 0 HB THR B 48 -7.556 -3.450 2.058 1.00 0.00 H new ATOM 0 HG1 THR B 48 -5.529 -4.597 3.535 1.00 0.00 H new ATOM 0 HG21 THR B 48 -7.419 -1.744 3.849 1.00 0.00 H new ATOM 0 HG22 THR B 48 -8.891 -2.729 4.016 1.00 0.00 H new ATOM 0 HG23 THR B 48 -7.496 -3.028 5.079 1.00 0.00 H new ATOM 719 N LYS B 49 -10.009 -5.143 2.436 1.00 0.00 N ATOM 720 CA LYS B 49 -11.496 -5.086 2.503 1.00 0.00 C ATOM 721 C LYS B 49 -11.932 -3.679 2.923 1.00 0.00 C ATOM 722 O LYS B 49 -12.348 -3.470 4.045 1.00 0.00 O ATOM 723 CB LYS B 49 -12.000 -6.103 3.528 1.00 0.00 C ATOM 724 CG LYS B 49 -13.318 -6.709 3.041 1.00 0.00 C ATOM 725 CD LYS B 49 -13.953 -7.525 4.169 1.00 0.00 C ATOM 726 CE LYS B 49 -15.176 -8.272 3.633 1.00 0.00 C ATOM 727 NZ LYS B 49 -14.737 -9.531 2.967 1.00 0.00 N ATOM 0 H LYS B 49 -9.621 -5.237 1.497 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.914 -5.320 1.524 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -11.258 -6.888 3.672 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.145 -5.620 4.494 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -13.998 -5.919 2.722 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -13.140 -7.345 2.174 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -13.229 -8.233 4.572 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -14.245 -6.867 4.988 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -15.863 -8.500 4.448 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -15.718 -7.644 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -15.568 -10.039 2.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -14.098 -9.302 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -14.238 -10.131 3.654 1.00 0.00 H new ATOM 741 N PRO B 50 -11.822 -2.754 2.003 1.00 0.00 N ATOM 742 CA PRO B 50 -12.193 -1.351 2.239 1.00 0.00 C ATOM 743 C PRO B 50 -13.715 -1.183 2.202 1.00 0.00 C ATOM 744 O PRO B 50 -14.446 -2.115 1.931 1.00 0.00 O ATOM 745 CB PRO B 50 -11.530 -0.601 1.081 1.00 0.00 C ATOM 746 CG PRO B 50 -11.302 -1.644 -0.037 1.00 0.00 C ATOM 747 CD PRO B 50 -11.316 -3.024 0.645 1.00 0.00 C ATOM 0 HA PRO B 50 -11.874 -0.984 3.214 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -12.165 0.212 0.730 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -10.586 -0.156 1.396 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -12.083 -1.578 -0.795 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -10.352 -1.470 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -11.960 -3.724 0.113 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -10.319 -3.464 0.672 1.00 0.00 H new ATOM 755 N THR B 51 -14.197 -0.001 2.472 1.00 0.00 N ATOM 756 CA THR B 51 -15.669 0.227 2.452 1.00 0.00 C ATOM 757 C THR B 51 -16.373 -0.917 3.186 1.00 0.00 C ATOM 758 O THR B 51 -17.005 -1.721 2.521 1.00 0.00 O ATOM 759 CB THR B 51 -16.156 0.281 1.003 1.00 0.00 C ATOM 760 OG1 THR B 51 -16.142 -1.027 0.450 1.00 0.00 O ATOM 761 CG2 THR B 51 -15.237 1.193 0.188 1.00 0.00 C ATOM 762 OXT THR B 51 -16.266 -0.969 4.401 1.00 0.00 O ATOM 0 H THR B 51 -13.634 0.817 2.706 1.00 0.00 H new ATOM 0 HA THR B 51 -15.898 1.170 2.948 1.00 0.00 H new ATOM 0 HB THR B 51 -17.172 0.675 0.975 1.00 0.00 H new ATOM 0 HG1 THR B 51 -15.861 -1.669 1.135 1.00 0.00 H new ATOM 0 HG21 THR B 51 -15.585 1.231 -0.844 1.00 0.00 H new ATOM 0 HG22 THR B 51 -15.251 2.197 0.613 1.00 0.00 H new ATOM 0 HG23 THR B 51 -14.220 0.802 0.214 1.00 0.00 H new TER 770 THR B 51