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+ -158:sc= 0.0221 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.018) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.18 USER MOD Single : A 12 SER OG : rot 180:sc= -0.373 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0429 K(o=-0.043,f=-0.76) USER MOD Single : A 19 TYR OH : rot 143:sc= 0.11 USER MOD Single : A 21 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.021) USER MOD Single : B 24 ASN : amide:sc= -0.257 K(o=-0.26,f=-3.2!) USER MOD Single : B 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 26 HIS : no HD1:sc= -4.91! C(o=-4.9!,f=-11!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 18:sc= -3.01! USER MOD Single : B 48 THR OG1 : rot 79:sc= 0.685 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.702 9.162 5.652 1.00 0.00 N ATOM 2 CA GLY A 1 -7.334 8.111 4.605 1.00 0.00 C ATOM 3 C GLY A 1 -5.901 7.761 4.393 1.00 0.00 C ATOM 4 O GLY A 1 -5.011 8.466 4.823 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.692 9.031 5.943 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.081 9.059 6.480 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.583 10.112 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.860 7.192 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.734 8.448 3.649 1.00 0.00 H new ATOM 10 N ILE A 2 -5.640 6.670 3.728 1.00 0.00 N ATOM 11 CA ILE A 2 -4.227 6.268 3.482 1.00 0.00 C ATOM 12 C ILE A 2 -3.670 7.067 2.303 1.00 0.00 C ATOM 13 O ILE A 2 -2.475 7.235 2.162 1.00 0.00 O ATOM 14 CB ILE A 2 -4.171 4.775 3.157 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.473 3.966 4.419 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.776 4.415 2.644 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.147 2.491 4.171 1.00 0.00 C ATOM 0 H ILE A 2 -6.344 6.040 3.344 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.631 6.468 4.372 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.911 4.544 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.885 4.344 5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.522 4.076 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.737 3.351 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.560 4.990 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.036 4.647 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.362 1.915 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.755 2.118 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.091 2.389 3.919 1.00 0.00 H new ATOM 29 N VAL A 3 -4.529 7.557 1.452 1.00 0.00 N ATOM 30 CA VAL A 3 -4.055 8.342 0.276 1.00 0.00 C ATOM 31 C VAL A 3 -3.299 9.581 0.757 1.00 0.00 C ATOM 32 O VAL A 3 -2.429 10.094 0.082 1.00 0.00 O ATOM 33 CB VAL A 3 -5.259 8.771 -0.569 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.212 7.587 -0.737 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.996 9.918 0.130 1.00 0.00 C ATOM 0 H VAL A 3 -5.541 7.448 1.520 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.389 7.725 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.912 9.104 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.069 7.892 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.692 6.769 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.556 7.255 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.852 10.221 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.341 9.586 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.320 10.764 0.252 1.00 0.00 H new ATOM 45 N GLU A 4 -3.630 10.063 1.918 1.00 0.00 N ATOM 46 CA GLU A 4 -2.942 11.271 2.453 1.00 0.00 C ATOM 47 C GLU A 4 -1.631 10.855 3.127 1.00 0.00 C ATOM 48 O GLU A 4 -0.944 11.664 3.719 1.00 0.00 O ATOM 49 CB GLU A 4 -3.846 11.959 3.481 1.00 0.00 C ATOM 50 CG GLU A 4 -5.315 11.751 3.099 1.00 0.00 C ATOM 51 CD GLU A 4 -6.198 12.672 3.944 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.796 13.801 4.169 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.260 12.232 4.351 1.00 0.00 O ATOM 0 H GLU A 4 -4.351 9.672 2.524 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.729 11.960 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.658 11.553 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.619 13.024 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.460 11.963 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.599 10.711 3.258 1.00 0.00 H new ATOM 60 N GLN A 5 -1.282 9.599 3.051 1.00 0.00 N ATOM 61 CA GLN A 5 -0.021 9.138 3.699 1.00 0.00 C ATOM 62 C GLN A 5 1.057 8.873 2.644 1.00 0.00 C ATOM 63 O GLN A 5 2.182 9.314 2.772 1.00 0.00 O ATOM 64 CB GLN A 5 -0.291 7.849 4.477 1.00 0.00 C ATOM 65 CG GLN A 5 0.872 7.577 5.433 1.00 0.00 C ATOM 66 CD GLN A 5 0.394 7.741 6.876 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.706 6.932 7.728 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.355 8.762 7.189 1.00 0.00 N ATOM 0 H GLN A 5 -1.814 8.874 2.570 1.00 0.00 H new ATOM 0 HA GLN A 5 0.330 9.916 4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.222 7.938 5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.412 7.014 3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.256 6.569 5.278 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.692 8.265 5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.617 9.441 6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.679 8.882 8.149 1.00 0.00 H new ATOM 77 N CYS A 6 0.737 8.136 1.614 1.00 0.00 N ATOM 78 CA CYS A 6 1.763 7.828 0.576 1.00 0.00 C ATOM 79 C CYS A 6 1.520 8.655 -0.689 1.00 0.00 C ATOM 80 O CYS A 6 2.449 9.044 -1.367 1.00 0.00 O ATOM 81 CB CYS A 6 1.698 6.340 0.235 1.00 0.00 C ATOM 82 SG CYS A 6 1.927 5.371 1.746 1.00 0.00 S ATOM 0 H CYS A 6 -0.186 7.736 1.447 1.00 0.00 H new ATOM 0 HA CYS A 6 2.748 8.080 0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.738 6.101 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.469 6.088 -0.493 1.00 0.00 H new ATOM 87 N CYS A 7 0.290 8.927 -1.024 1.00 0.00 N ATOM 88 CA CYS A 7 0.025 9.727 -2.255 1.00 0.00 C ATOM 89 C CYS A 7 0.658 11.114 -2.111 1.00 0.00 C ATOM 90 O CYS A 7 0.763 11.857 -3.066 1.00 0.00 O ATOM 91 CB CYS A 7 -1.479 9.876 -2.466 1.00 0.00 C ATOM 92 SG CYS A 7 -1.806 10.176 -4.221 1.00 0.00 S ATOM 0 H CYS A 7 -0.538 8.634 -0.505 1.00 0.00 H new ATOM 0 HA CYS A 7 0.459 9.214 -3.113 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.996 8.975 -2.136 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.863 10.701 -1.866 1.00 0.00 H new ATOM 97 N THR A 8 1.084 11.469 -0.929 1.00 0.00 N ATOM 98 CA THR A 8 1.720 12.802 -0.737 1.00 0.00 C ATOM 99 C THR A 8 3.238 12.619 -0.742 1.00 0.00 C ATOM 100 O THR A 8 3.980 13.469 -1.192 1.00 0.00 O ATOM 101 CB THR A 8 1.276 13.397 0.602 1.00 0.00 C ATOM 102 OG1 THR A 8 1.986 14.604 0.841 1.00 0.00 O ATOM 103 CG2 THR A 8 1.568 12.400 1.724 1.00 0.00 C ATOM 0 H THR A 8 1.019 10.894 -0.089 1.00 0.00 H new ATOM 0 HA THR A 8 1.422 13.478 -1.539 1.00 0.00 H new ATOM 0 HB THR A 8 0.207 13.605 0.572 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.702 14.987 1.697 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.252 12.823 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.023 11.474 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.637 12.191 1.756 1.00 0.00 H new ATOM 111 N SER A 9 3.699 11.500 -0.253 1.00 0.00 N ATOM 112 CA SER A 9 5.162 11.230 -0.234 1.00 0.00 C ATOM 113 C SER A 9 5.434 9.958 -1.038 1.00 0.00 C ATOM 114 O SER A 9 4.651 9.571 -1.881 1.00 0.00 O ATOM 115 CB SER A 9 5.626 11.031 1.210 1.00 0.00 C ATOM 116 OG SER A 9 7.036 11.203 1.280 1.00 0.00 O ATOM 0 H SER A 9 3.119 10.757 0.137 1.00 0.00 H new ATOM 0 HA SER A 9 5.702 12.070 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.128 11.746 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.352 10.035 1.558 1.00 0.00 H new ATOM 0 HG SER A 9 7.335 11.078 2.205 1.00 0.00 H new ATOM 122 N ILE A 10 6.526 9.295 -0.787 1.00 0.00 N ATOM 123 CA ILE A 10 6.815 8.049 -1.547 1.00 0.00 C ATOM 124 C ILE A 10 6.679 6.838 -0.618 1.00 0.00 C ATOM 125 O ILE A 10 6.775 5.703 -1.041 1.00 0.00 O ATOM 126 CB ILE A 10 8.229 8.111 -2.120 1.00 0.00 C ATOM 127 CG1 ILE A 10 8.443 9.468 -2.797 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.400 6.999 -3.152 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.379 9.673 -3.879 1.00 0.00 C ATOM 0 H ILE A 10 7.226 9.559 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 10 6.104 7.952 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 10 8.957 7.985 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.385 10.268 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.439 9.513 -3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.408 7.038 -3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.240 6.032 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.674 7.132 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.531 10.639 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.459 8.880 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.388 9.646 -3.425 1.00 0.00 H new ATOM 141 N CYS A 11 6.443 7.071 0.645 1.00 0.00 N ATOM 142 CA CYS A 11 6.284 5.938 1.601 1.00 0.00 C ATOM 143 C CYS A 11 7.381 4.896 1.374 1.00 0.00 C ATOM 144 O CYS A 11 8.327 5.115 0.642 1.00 0.00 O ATOM 145 CB CYS A 11 4.922 5.276 1.380 1.00 0.00 C ATOM 146 SG CYS A 11 3.694 6.017 2.483 1.00 0.00 S ATOM 0 H CYS A 11 6.353 8.000 1.057 1.00 0.00 H new ATOM 0 HA CYS A 11 6.356 6.323 2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.612 5.398 0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.993 4.205 1.568 1.00 0.00 H new ATOM 151 N SER A 12 7.247 3.759 1.998 1.00 0.00 N ATOM 152 CA SER A 12 8.260 2.680 1.835 1.00 0.00 C ATOM 153 C SER A 12 7.567 1.327 2.013 1.00 0.00 C ATOM 154 O SER A 12 6.596 1.209 2.734 1.00 0.00 O ATOM 155 CB SER A 12 9.351 2.839 2.894 1.00 0.00 C ATOM 156 OG SER A 12 8.882 2.326 4.134 1.00 0.00 O ATOM 0 H SER A 12 6.472 3.530 2.620 1.00 0.00 H new ATOM 0 HA SER A 12 8.712 2.740 0.845 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.252 2.309 2.586 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.620 3.890 3.001 1.00 0.00 H new ATOM 0 HG SER A 12 9.580 2.425 4.814 1.00 0.00 H new ATOM 162 N LEU A 13 8.049 0.306 1.361 1.00 0.00 N ATOM 163 CA LEU A 13 7.403 -1.030 1.497 1.00 0.00 C ATOM 164 C LEU A 13 7.166 -1.338 2.977 1.00 0.00 C ATOM 165 O LEU A 13 6.284 -2.097 3.327 1.00 0.00 O ATOM 166 CB LEU A 13 8.307 -2.104 0.888 1.00 0.00 C ATOM 167 CG LEU A 13 7.459 -3.079 0.068 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.554 -2.716 -1.416 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.977 -4.503 0.278 1.00 0.00 C ATOM 0 H LEU A 13 8.859 0.338 0.742 1.00 0.00 H new ATOM 0 HA LEU A 13 6.448 -1.023 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.063 -1.641 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.836 -2.639 1.677 1.00 0.00 H new ATOM 0 HG LEU A 13 6.420 -3.017 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.950 -3.411 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.187 -1.701 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.593 -2.778 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.374 -5.199 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.016 -4.564 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.910 -4.762 1.335 1.00 0.00 H new ATOM 181 N TYR A 14 7.940 -0.754 3.850 1.00 0.00 N ATOM 182 CA TYR A 14 7.744 -1.018 5.303 1.00 0.00 C ATOM 183 C TYR A 14 6.349 -0.551 5.714 1.00 0.00 C ATOM 184 O TYR A 14 5.566 -1.303 6.259 1.00 0.00 O ATOM 185 CB TYR A 14 8.793 -0.254 6.114 1.00 0.00 C ATOM 186 CG TYR A 14 8.603 -0.588 7.613 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.455 -1.934 8.041 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.563 0.437 8.588 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.279 -2.230 9.399 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.385 0.123 9.942 1.00 0.00 C ATOM 191 CZ TYR A 14 8.245 -1.206 10.345 1.00 0.00 C ATOM 192 OH TYR A 14 8.070 -1.506 11.680 1.00 0.00 O ATOM 0 H TYR A 14 8.696 -0.109 3.622 1.00 0.00 H new ATOM 0 HA TYR A 14 7.849 -2.086 5.495 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.796 -0.531 5.790 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.689 0.819 5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.478 -2.734 7.316 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.670 1.468 8.286 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.169 -3.257 9.715 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.356 0.913 10.677 1.00 0.00 H new ATOM 0 HH TYR A 14 8.071 -0.678 12.204 1.00 0.00 H new ATOM 202 N GLN A 15 6.031 0.688 5.455 1.00 0.00 N ATOM 203 CA GLN A 15 4.686 1.202 5.831 1.00 0.00 C ATOM 204 C GLN A 15 3.617 0.440 5.050 1.00 0.00 C ATOM 205 O GLN A 15 2.635 -0.009 5.607 1.00 0.00 O ATOM 206 CB GLN A 15 4.597 2.696 5.507 1.00 0.00 C ATOM 207 CG GLN A 15 5.844 3.409 6.034 1.00 0.00 C ATOM 208 CD GLN A 15 5.494 4.171 7.314 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.901 5.302 7.492 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.751 3.596 8.220 1.00 0.00 N ATOM 0 H GLN A 15 6.644 1.365 5.000 1.00 0.00 H new ATOM 0 HA GLN A 15 4.526 1.058 6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.511 2.841 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.702 3.124 5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.633 2.684 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.227 4.098 5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.409 2.647 8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.513 4.096 9.076 1.00 0.00 H new ATOM 219 N LEU A 16 3.798 0.278 3.768 1.00 0.00 N ATOM 220 CA LEU A 16 2.786 -0.468 2.974 1.00 0.00 C ATOM 221 C LEU A 16 2.699 -1.893 3.507 1.00 0.00 C ATOM 222 O LEU A 16 1.639 -2.484 3.558 1.00 0.00 O ATOM 223 CB LEU A 16 3.195 -0.489 1.500 1.00 0.00 C ATOM 224 CG LEU A 16 2.812 0.841 0.849 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.783 1.932 1.304 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.880 0.700 -0.672 1.00 0.00 C ATOM 0 H LEU A 16 4.598 0.628 3.240 1.00 0.00 H new ATOM 0 HA LEU A 16 1.815 0.019 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.269 -0.654 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.702 -1.314 0.986 1.00 0.00 H new ATOM 0 HG LEU A 16 1.799 1.112 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.509 2.879 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.735 2.032 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.797 1.663 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.607 1.647 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.894 0.429 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.188 -0.077 -0.997 1.00 0.00 H new ATOM 238 N GLU A 17 3.803 -2.446 3.927 1.00 0.00 N ATOM 239 CA GLU A 17 3.771 -3.821 4.478 1.00 0.00 C ATOM 240 C GLU A 17 2.781 -3.845 5.639 1.00 0.00 C ATOM 241 O GLU A 17 2.240 -4.875 5.992 1.00 0.00 O ATOM 242 CB GLU A 17 5.164 -4.199 4.979 1.00 0.00 C ATOM 243 CG GLU A 17 5.861 -5.079 3.942 1.00 0.00 C ATOM 244 CD GLU A 17 7.195 -5.569 4.507 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.179 -6.526 5.264 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.210 -4.978 4.176 1.00 0.00 O ATOM 0 H GLU A 17 4.722 -2.003 3.911 1.00 0.00 H new ATOM 0 HA GLU A 17 3.466 -4.533 3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.752 -3.300 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.089 -4.729 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.228 -5.928 3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.027 -4.516 3.024 1.00 0.00 H new ATOM 253 N ASN A 18 2.535 -2.706 6.229 1.00 0.00 N ATOM 254 CA ASN A 18 1.575 -2.647 7.362 1.00 0.00 C ATOM 255 C ASN A 18 0.148 -2.757 6.822 1.00 0.00 C ATOM 256 O ASN A 18 -0.754 -3.177 7.519 1.00 0.00 O ATOM 257 CB ASN A 18 1.742 -1.317 8.102 1.00 0.00 C ATOM 258 CG ASN A 18 0.812 -1.287 9.317 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.362 -0.999 9.192 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.292 -1.572 10.496 1.00 0.00 N ATOM 0 H ASN A 18 2.959 -1.814 5.973 1.00 0.00 H new ATOM 0 HA ASN A 18 1.768 -3.470 8.049 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.777 -1.194 8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.512 -0.486 7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.682 -1.553 11.313 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.277 -1.814 10.601 1.00 0.00 H new ATOM 267 N TYR A 19 -0.074 -2.382 5.587 1.00 0.00 N ATOM 268 CA TYR A 19 -1.456 -2.475 5.035 1.00 0.00 C ATOM 269 C TYR A 19 -1.782 -3.943 4.738 1.00 0.00 C ATOM 270 O TYR A 19 -2.882 -4.275 4.343 1.00 0.00 O ATOM 271 CB TYR A 19 -1.576 -1.670 3.734 1.00 0.00 C ATOM 272 CG TYR A 19 -1.102 -0.193 3.954 1.00 0.00 C ATOM 273 CD1 TYR A 19 -0.591 0.262 5.210 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.154 0.741 2.889 1.00 0.00 C ATOM 275 CE1 TYR A 19 -0.165 1.587 5.363 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.721 2.057 3.065 1.00 0.00 C ATOM 277 CZ TYR A 19 -0.228 2.479 4.295 1.00 0.00 C ATOM 278 OH TYR A 19 0.198 3.781 4.457 1.00 0.00 O ATOM 0 H TYR A 19 0.633 -2.021 4.946 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.152 -2.069 5.769 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.976 -2.138 2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.610 -1.678 3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.533 -0.420 6.045 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.534 0.430 1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.216 1.920 6.317 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.769 2.752 2.240 1.00 0.00 H new ATOM 0 HH TYR A 19 0.637 4.086 3.636 1.00 0.00 H new ATOM 288 N CYS A 20 -0.835 -4.825 4.925 1.00 0.00 N ATOM 289 CA CYS A 20 -1.093 -6.269 4.653 1.00 0.00 C ATOM 290 C CYS A 20 -1.880 -6.868 5.819 1.00 0.00 C ATOM 291 O CYS A 20 -1.505 -7.878 6.382 1.00 0.00 O ATOM 292 CB CYS A 20 0.238 -7.013 4.509 1.00 0.00 C ATOM 293 SG CYS A 20 1.239 -6.236 3.215 1.00 0.00 S ATOM 0 H CYS A 20 0.106 -4.607 5.254 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.665 -6.367 3.730 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.777 -6.999 5.456 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.056 -8.059 4.262 1.00 0.00 H new ATOM 298 N ASN A 21 -2.967 -6.251 6.187 1.00 0.00 N ATOM 299 CA ASN A 21 -3.778 -6.779 7.319 1.00 0.00 C ATOM 300 C ASN A 21 -5.206 -7.054 6.843 1.00 0.00 C ATOM 301 O ASN A 21 -5.557 -6.574 5.777 1.00 0.00 O ATOM 302 CB ASN A 21 -3.808 -5.744 8.446 1.00 0.00 C ATOM 303 CG ASN A 21 -4.252 -6.415 9.746 1.00 0.00 C ATOM 304 OD1 ASN A 21 -3.431 -6.841 10.534 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.525 -6.528 10.006 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.924 -7.739 7.553 1.00 0.00 O ATOM 0 H ASN A 21 -3.330 -5.403 5.752 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.334 -7.705 7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.820 -5.300 8.573 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.491 -4.934 8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.831 -6.974 10.871 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.214 -6.170 9.345 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 14.365 -0.825 -4.267 1.00 0.00 N ATOM 315 CA PHE B 22 13.159 -1.614 -4.651 1.00 0.00 C ATOM 316 C PHE B 22 11.907 -0.808 -4.344 1.00 0.00 C ATOM 317 O PHE B 22 10.909 -1.331 -3.892 1.00 0.00 O ATOM 318 CB PHE B 22 13.129 -2.923 -3.863 1.00 0.00 C ATOM 319 CG PHE B 22 12.862 -2.624 -2.407 1.00 0.00 C ATOM 320 CD1 PHE B 22 13.786 -1.875 -1.666 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.691 -3.092 -1.797 1.00 0.00 C ATOM 322 CE1 PHE B 22 13.539 -1.594 -0.316 1.00 0.00 C ATOM 323 CE2 PHE B 22 11.444 -2.812 -0.447 1.00 0.00 C ATOM 324 CZ PHE B 22 12.368 -2.062 0.294 1.00 0.00 C ATOM 0 HA PHE B 22 13.197 -1.836 -5.718 1.00 0.00 H new ATOM 0 HB2 PHE B 22 12.355 -3.581 -4.259 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.079 -3.447 -3.970 1.00 0.00 H new ATOM 0 HD1 PHE B 22 14.689 -1.514 -2.136 1.00 0.00 H new ATOM 0 HD2 PHE B 22 10.978 -3.669 -2.368 1.00 0.00 H new ATOM 0 HE1 PHE B 22 14.251 -1.017 0.254 1.00 0.00 H new ATOM 0 HE2 PHE B 22 10.542 -3.174 0.023 1.00 0.00 H new ATOM 0 HZ PHE B 22 12.177 -1.845 1.335 1.00 0.00 H new ATOM 336 N VAL B 23 11.956 0.465 -4.587 1.00 0.00 N ATOM 337 CA VAL B 23 10.776 1.319 -4.310 1.00 0.00 C ATOM 338 C VAL B 23 10.899 2.626 -5.094 1.00 0.00 C ATOM 339 O VAL B 23 11.529 2.681 -6.130 1.00 0.00 O ATOM 340 CB VAL B 23 10.705 1.576 -2.800 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.561 2.784 -2.420 1.00 0.00 C ATOM 342 CG2 VAL B 23 9.251 1.814 -2.394 1.00 0.00 C ATOM 0 H VAL B 23 12.766 0.954 -4.967 1.00 0.00 H new ATOM 0 HA VAL B 23 9.857 0.825 -4.626 1.00 0.00 H new ATOM 0 HB VAL B 23 11.092 0.704 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL B 23 11.498 2.951 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL B 23 12.598 2.597 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL B 23 11.198 3.667 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL B 23 9.198 1.997 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL B 23 8.861 2.680 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.656 0.935 -2.642 1.00 0.00 H new ATOM 352 N ASN B 24 10.286 3.662 -4.602 1.00 0.00 N ATOM 353 CA ASN B 24 10.331 4.990 -5.290 1.00 0.00 C ATOM 354 C ASN B 24 9.196 5.076 -6.312 1.00 0.00 C ATOM 355 O ASN B 24 9.409 4.997 -7.505 1.00 0.00 O ATOM 356 CB ASN B 24 11.672 5.180 -6.003 1.00 0.00 C ATOM 357 CG ASN B 24 11.880 6.665 -6.307 1.00 0.00 C ATOM 358 OD1 ASN B 24 10.940 7.372 -6.611 1.00 0.00 O ATOM 359 ND2 ASN B 24 13.081 7.172 -6.237 1.00 0.00 N ATOM 0 H ASN B 24 9.745 3.650 -3.737 1.00 0.00 H new ATOM 0 HA ASN B 24 10.216 5.775 -4.542 1.00 0.00 H new ATOM 0 HB2 ASN B 24 12.484 4.808 -5.379 1.00 0.00 H new ATOM 0 HB3 ASN B 24 11.690 4.602 -6.927 1.00 0.00 H new ATOM 0 HD21 ASN B 24 13.230 8.161 -6.437 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.871 6.579 -5.982 1.00 0.00 H new ATOM 366 N GLN B 25 7.992 5.244 -5.846 1.00 0.00 N ATOM 367 CA GLN B 25 6.830 5.345 -6.774 1.00 0.00 C ATOM 368 C GLN B 25 5.685 6.059 -6.052 1.00 0.00 C ATOM 369 O GLN B 25 5.602 6.043 -4.840 1.00 0.00 O ATOM 370 CB GLN B 25 6.382 3.942 -7.190 1.00 0.00 C ATOM 371 CG GLN B 25 6.749 3.700 -8.657 1.00 0.00 C ATOM 372 CD GLN B 25 6.639 2.205 -8.971 1.00 0.00 C ATOM 373 OE1 GLN B 25 7.443 1.417 -8.516 1.00 0.00 O ATOM 374 NE2 GLN B 25 5.669 1.778 -9.735 1.00 0.00 N ATOM 0 H GLN B 25 7.760 5.316 -4.855 1.00 0.00 H new ATOM 0 HA GLN B 25 7.113 5.906 -7.665 1.00 0.00 H new ATOM 0 HB2 GLN B 25 6.859 3.194 -6.557 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.306 3.837 -7.052 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.085 4.269 -9.308 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.763 4.050 -8.852 1.00 0.00 H new ATOM 0 HE21 GLN B 25 4.993 2.439 -10.118 1.00 0.00 H new ATOM 0 HE22 GLN B 25 5.588 0.784 -9.948 1.00 0.00 H new ATOM 383 N HIS B 26 4.804 6.694 -6.777 1.00 0.00 N ATOM 384 CA HIS B 26 3.681 7.407 -6.105 1.00 0.00 C ATOM 385 C HIS B 26 2.410 6.579 -6.301 1.00 0.00 C ATOM 386 O HIS B 26 2.424 5.583 -6.996 1.00 0.00 O ATOM 387 CB HIS B 26 3.504 8.781 -6.747 1.00 0.00 C ATOM 388 CG HIS B 26 3.365 9.818 -5.672 1.00 0.00 C ATOM 389 ND1 HIS B 26 4.325 9.953 -4.692 1.00 0.00 N ATOM 390 CD2 HIS B 26 2.412 10.768 -5.446 1.00 0.00 C ATOM 391 CE1 HIS B 26 3.937 10.967 -3.912 1.00 0.00 C ATOM 392 NE2 HIS B 26 2.771 11.499 -4.333 1.00 0.00 N ATOM 0 H HIS B 26 4.813 6.750 -7.795 1.00 0.00 H new ATOM 0 HA HIS B 26 3.887 7.534 -5.042 1.00 0.00 H new ATOM 0 HB2 HIS B 26 4.360 9.011 -7.382 1.00 0.00 H new ATOM 0 HB3 HIS B 26 2.622 8.785 -7.388 1.00 0.00 H new ATOM 0 HD2 HIS B 26 1.524 10.922 -6.040 1.00 0.00 H new ATOM 0 HE1 HIS B 26 4.488 11.317 -3.052 1.00 0.00 H new ATOM 0 HE2 HIS B 26 2.262 12.278 -3.916 1.00 0.00 H new ATOM 400 N LEU B 27 1.310 6.955 -5.703 1.00 0.00 N ATOM 401 CA LEU B 27 0.074 6.135 -5.892 1.00 0.00 C ATOM 402 C LEU B 27 -1.190 6.982 -5.711 1.00 0.00 C ATOM 403 O LEU B 27 -1.168 8.178 -5.866 1.00 0.00 O ATOM 404 CB LEU B 27 0.034 4.975 -4.887 1.00 0.00 C ATOM 405 CG LEU B 27 1.376 4.820 -4.170 1.00 0.00 C ATOM 406 CD1 LEU B 27 1.601 6.010 -3.236 1.00 0.00 C ATOM 407 CD2 LEU B 27 1.348 3.532 -3.351 1.00 0.00 C ATOM 0 H LEU B 27 1.212 7.775 -5.105 1.00 0.00 H new ATOM 0 HA LEU B 27 0.102 5.744 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -0.754 5.151 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -0.214 4.049 -5.406 1.00 0.00 H new ATOM 0 HG LEU B 27 2.183 4.781 -4.901 1.00 0.00 H new ATOM 0 HD11 LEU B 27 2.558 5.897 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU B 27 1.606 6.932 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.800 6.050 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.300 3.409 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU B 27 0.542 3.583 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU B 27 1.183 2.683 -4.014 1.00 0.00 H new ATOM 419 N CYS B 28 -2.281 6.317 -5.393 1.00 0.00 N ATOM 420 CA CYS B 28 -3.629 6.955 -5.186 1.00 0.00 C ATOM 421 C CYS B 28 -4.694 6.058 -5.820 1.00 0.00 C ATOM 422 O CYS B 28 -4.461 5.413 -6.824 1.00 0.00 O ATOM 423 CB CYS B 28 -3.743 8.367 -5.789 1.00 0.00 C ATOM 424 SG CYS B 28 -3.725 9.603 -4.455 1.00 0.00 S ATOM 0 H CYS B 28 -2.291 5.305 -5.262 1.00 0.00 H new ATOM 0 HA CYS B 28 -3.772 7.061 -4.111 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -2.917 8.547 -6.477 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -4.663 8.454 -6.366 1.00 0.00 H new ATOM 429 N GLY B 29 -5.860 6.008 -5.237 1.00 0.00 N ATOM 430 CA GLY B 29 -6.945 5.153 -5.799 1.00 0.00 C ATOM 431 C GLY B 29 -6.401 3.754 -6.100 1.00 0.00 C ATOM 432 O GLY B 29 -5.759 3.132 -5.275 1.00 0.00 O ATOM 0 H GLY B 29 -6.109 6.524 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -7.772 5.087 -5.092 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -7.340 5.603 -6.710 1.00 0.00 H new ATOM 436 N SER B 30 -6.659 3.251 -7.277 1.00 0.00 N ATOM 437 CA SER B 30 -6.166 1.891 -7.634 1.00 0.00 C ATOM 438 C SER B 30 -4.648 1.826 -7.446 1.00 0.00 C ATOM 439 O SER B 30 -4.115 0.834 -6.991 1.00 0.00 O ATOM 440 CB SER B 30 -6.515 1.587 -9.091 1.00 0.00 C ATOM 441 OG SER B 30 -7.882 1.202 -9.175 1.00 0.00 O ATOM 0 H SER B 30 -7.191 3.724 -8.007 1.00 0.00 H new ATOM 0 HA SER B 30 -6.640 1.154 -6.986 1.00 0.00 H new ATOM 0 HB2 SER B 30 -6.333 2.465 -9.711 1.00 0.00 H new ATOM 0 HB3 SER B 30 -5.876 0.790 -9.472 1.00 0.00 H new ATOM 0 HG SER B 30 -8.110 1.008 -10.108 1.00 0.00 H new ATOM 447 N ASP B 31 -3.944 2.872 -7.790 1.00 0.00 N ATOM 448 CA ASP B 31 -2.463 2.850 -7.622 1.00 0.00 C ATOM 449 C ASP B 31 -2.131 2.441 -6.188 1.00 0.00 C ATOM 450 O ASP B 31 -1.209 1.688 -5.943 1.00 0.00 O ATOM 451 CB ASP B 31 -1.886 4.240 -7.902 1.00 0.00 C ATOM 452 CG ASP B 31 -2.556 4.835 -9.142 1.00 0.00 C ATOM 453 OD1 ASP B 31 -2.610 4.149 -10.149 1.00 0.00 O ATOM 454 OD2 ASP B 31 -3.006 5.967 -9.063 1.00 0.00 O ATOM 0 H ASP B 31 -4.328 3.734 -8.177 1.00 0.00 H new ATOM 0 HA ASP B 31 -2.028 2.137 -8.322 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -2.046 4.891 -7.042 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -0.809 4.173 -8.055 1.00 0.00 H new ATOM 459 N LEU B 32 -2.879 2.928 -5.236 1.00 0.00 N ATOM 460 CA LEU B 32 -2.608 2.560 -3.819 1.00 0.00 C ATOM 461 C LEU B 32 -2.911 1.074 -3.625 1.00 0.00 C ATOM 462 O LEU B 32 -2.015 0.265 -3.490 1.00 0.00 O ATOM 463 CB LEU B 32 -3.495 3.395 -2.891 1.00 0.00 C ATOM 464 CG LEU B 32 -2.623 4.131 -1.872 1.00 0.00 C ATOM 465 CD1 LEU B 32 -2.486 5.599 -2.284 1.00 0.00 C ATOM 466 CD2 LEU B 32 -3.277 4.051 -0.490 1.00 0.00 C ATOM 0 H LEU B 32 -3.664 3.563 -5.378 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.563 2.756 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -4.075 4.111 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -4.208 2.751 -2.376 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.637 3.668 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -1.865 6.124 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.023 5.659 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.473 6.061 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.657 4.575 0.237 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -4.263 4.514 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.378 3.007 -0.195 1.00 0.00 H new ATOM 478 N VAL B 33 -4.166 0.709 -3.620 1.00 0.00 N ATOM 479 CA VAL B 33 -4.521 -0.729 -3.444 1.00 0.00 C ATOM 480 C VAL B 33 -3.581 -1.583 -4.291 1.00 0.00 C ATOM 481 O VAL B 33 -3.126 -2.629 -3.875 1.00 0.00 O ATOM 482 CB VAL B 33 -5.962 -0.962 -3.900 1.00 0.00 C ATOM 483 CG1 VAL B 33 -6.915 -0.184 -2.994 1.00 0.00 C ATOM 484 CG2 VAL B 33 -6.124 -0.480 -5.344 1.00 0.00 C ATOM 0 H VAL B 33 -4.958 1.342 -3.730 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.425 -1.002 -2.393 1.00 0.00 H new ATOM 0 HB VAL B 33 -6.194 -2.026 -3.843 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -7.942 -0.350 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -6.800 -0.526 -1.965 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -6.684 0.880 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -7.151 -0.646 -5.670 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -5.892 0.584 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.444 -1.034 -5.991 1.00 0.00 H new ATOM 494 N GLU B 34 -3.279 -1.140 -5.478 1.00 0.00 N ATOM 495 CA GLU B 34 -2.365 -1.921 -6.343 1.00 0.00 C ATOM 496 C GLU B 34 -1.065 -2.183 -5.586 1.00 0.00 C ATOM 497 O GLU B 34 -0.621 -3.307 -5.473 1.00 0.00 O ATOM 498 CB GLU B 34 -2.078 -1.128 -7.620 1.00 0.00 C ATOM 499 CG GLU B 34 -2.975 -1.637 -8.751 1.00 0.00 C ATOM 500 CD GLU B 34 -2.134 -1.884 -10.005 1.00 0.00 C ATOM 501 OE1 GLU B 34 -0.985 -2.267 -9.859 1.00 0.00 O ATOM 502 OE2 GLU B 34 -2.654 -1.686 -11.091 1.00 0.00 O ATOM 0 H GLU B 34 -3.627 -0.271 -5.883 1.00 0.00 H new ATOM 0 HA GLU B 34 -2.824 -2.873 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -2.257 -0.066 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -1.029 -1.233 -7.898 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -3.472 -2.558 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -3.757 -0.908 -8.964 1.00 0.00 H new ATOM 509 N ALA B 35 -0.454 -1.161 -5.051 1.00 0.00 N ATOM 510 CA ALA B 35 0.811 -1.377 -4.296 1.00 0.00 C ATOM 511 C ALA B 35 0.536 -2.337 -3.136 1.00 0.00 C ATOM 512 O ALA B 35 1.180 -3.357 -2.994 1.00 0.00 O ATOM 513 CB ALA B 35 1.323 -0.039 -3.755 1.00 0.00 C ATOM 0 H ALA B 35 -0.773 -0.194 -5.104 1.00 0.00 H new ATOM 0 HA ALA B 35 1.568 -1.804 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA B 35 2.249 -0.200 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA B 35 1.510 0.642 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA B 35 0.575 0.395 -3.091 1.00 0.00 H new ATOM 519 N LEU B 36 -0.426 -2.026 -2.311 1.00 0.00 N ATOM 520 CA LEU B 36 -0.746 -2.932 -1.175 1.00 0.00 C ATOM 521 C LEU B 36 -1.007 -4.335 -1.720 1.00 0.00 C ATOM 522 O LEU B 36 -0.933 -5.316 -1.007 1.00 0.00 O ATOM 523 CB LEU B 36 -2.000 -2.425 -0.454 1.00 0.00 C ATOM 524 CG LEU B 36 -1.765 -1.016 0.115 1.00 0.00 C ATOM 525 CD1 LEU B 36 -0.284 -0.814 0.466 1.00 0.00 C ATOM 526 CD2 LEU B 36 -2.190 0.029 -0.919 1.00 0.00 C ATOM 0 H LEU B 36 -1.002 -1.186 -2.375 1.00 0.00 H new ATOM 0 HA LEU B 36 0.089 -2.955 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -2.842 -2.408 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -2.264 -3.109 0.352 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.358 -0.903 1.022 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.139 0.189 0.867 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.017 -1.550 1.212 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.323 -0.938 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.024 1.028 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -1.602 -0.098 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.248 -0.097 -1.150 1.00 0.00 H new ATOM 538 N TYR B 37 -1.313 -4.435 -2.985 1.00 0.00 N ATOM 539 CA TYR B 37 -1.581 -5.769 -3.587 1.00 0.00 C ATOM 540 C TYR B 37 -0.261 -6.399 -4.032 1.00 0.00 C ATOM 541 O TYR B 37 -0.201 -7.563 -4.374 1.00 0.00 O ATOM 542 CB TYR B 37 -2.497 -5.601 -4.800 1.00 0.00 C ATOM 543 CG TYR B 37 -2.599 -6.954 -5.542 1.00 0.00 C ATOM 544 CD1 TYR B 37 -3.081 -8.111 -4.877 1.00 0.00 C ATOM 545 CD2 TYR B 37 -2.208 -7.070 -6.897 1.00 0.00 C ATOM 546 CE1 TYR B 37 -3.167 -9.333 -5.554 1.00 0.00 C ATOM 547 CE2 TYR B 37 -2.300 -8.301 -7.560 1.00 0.00 C ATOM 548 CZ TYR B 37 -2.779 -9.427 -6.891 1.00 0.00 C ATOM 549 OH TYR B 37 -2.867 -10.636 -7.551 1.00 0.00 O ATOM 0 H TYR B 37 -1.389 -3.647 -3.628 1.00 0.00 H new ATOM 0 HA TYR B 37 -2.062 -6.413 -2.851 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -3.486 -5.270 -4.483 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -2.103 -4.834 -5.467 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.383 -8.048 -3.842 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -1.836 -6.204 -7.424 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -3.536 -10.208 -5.039 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -1.998 -8.378 -8.594 1.00 0.00 H new ATOM 0 HH TYR B 37 -2.558 -10.528 -8.475 1.00 0.00 H new ATOM 559 N LEU B 38 0.800 -5.639 -4.027 1.00 0.00 N ATOM 560 CA LEU B 38 2.116 -6.200 -4.447 1.00 0.00 C ATOM 561 C LEU B 38 2.918 -6.577 -3.201 1.00 0.00 C ATOM 562 O LEU B 38 3.576 -7.597 -3.157 1.00 0.00 O ATOM 563 CB LEU B 38 2.911 -5.170 -5.262 1.00 0.00 C ATOM 564 CG LEU B 38 1.975 -4.107 -5.836 1.00 0.00 C ATOM 565 CD1 LEU B 38 2.795 -3.047 -6.572 1.00 0.00 C ATOM 566 CD2 LEU B 38 0.997 -4.757 -6.811 1.00 0.00 C ATOM 0 H LEU B 38 0.813 -4.657 -3.751 1.00 0.00 H new ATOM 0 HA LEU B 38 1.941 -7.079 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU B 38 3.663 -4.698 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU B 38 3.444 -5.670 -6.071 1.00 0.00 H new ATOM 0 HG LEU B 38 1.420 -3.639 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.127 -2.289 -6.981 1.00 0.00 H new ATOM 0 HD12 LEU B 38 3.492 -2.579 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU B 38 3.352 -3.516 -7.383 1.00 0.00 H new ATOM 0 HD21 LEU B 38 0.331 -3.997 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU B 38 1.551 -5.227 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU B 38 0.410 -5.512 -6.288 1.00 0.00 H new ATOM 578 N VAL B 39 2.867 -5.757 -2.189 1.00 0.00 N ATOM 579 CA VAL B 39 3.623 -6.058 -0.943 1.00 0.00 C ATOM 580 C VAL B 39 2.855 -7.098 -0.120 1.00 0.00 C ATOM 581 O VAL B 39 3.430 -7.855 0.636 1.00 0.00 O ATOM 582 CB VAL B 39 3.801 -4.766 -0.137 1.00 0.00 C ATOM 583 CG1 VAL B 39 4.143 -3.621 -1.091 1.00 0.00 C ATOM 584 CG2 VAL B 39 2.506 -4.429 0.603 1.00 0.00 C ATOM 0 H VAL B 39 2.332 -4.889 -2.172 1.00 0.00 H new ATOM 0 HA VAL B 39 4.605 -6.461 -1.191 1.00 0.00 H new ATOM 0 HB VAL B 39 4.605 -4.903 0.587 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.271 -2.700 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.068 -3.852 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.335 -3.494 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.641 -3.510 1.173 1.00 0.00 H new ATOM 0 HG22 VAL B 39 1.700 -4.294 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.253 -5.243 1.282 1.00 0.00 H new ATOM 594 N CYS B 40 1.558 -7.143 -0.267 1.00 0.00 N ATOM 595 CA CYS B 40 0.753 -8.135 0.500 1.00 0.00 C ATOM 596 C CYS B 40 0.336 -9.281 -0.428 1.00 0.00 C ATOM 597 O CYS B 40 -0.322 -10.216 -0.016 1.00 0.00 O ATOM 598 CB CYS B 40 -0.502 -7.455 1.053 1.00 0.00 C ATOM 599 SG CYS B 40 -0.076 -5.834 1.735 1.00 0.00 S ATOM 0 H CYS B 40 1.022 -6.535 -0.886 1.00 0.00 H new ATOM 0 HA CYS B 40 1.351 -8.527 1.323 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -1.244 -7.343 0.262 1.00 0.00 H new ATOM 0 HB3 CYS B 40 -0.952 -8.077 1.826 1.00 0.00 H new ATOM 604 N GLY B 41 0.706 -9.213 -1.680 1.00 0.00 N ATOM 605 CA GLY B 41 0.322 -10.295 -2.632 1.00 0.00 C ATOM 606 C GLY B 41 1.163 -11.547 -2.371 1.00 0.00 C ATOM 607 O GLY B 41 0.688 -12.659 -2.494 1.00 0.00 O ATOM 0 H GLY B 41 1.257 -8.455 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -0.737 -10.529 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY B 41 0.468 -9.956 -3.658 1.00 0.00 H new ATOM 611 N GLU B 42 2.408 -11.380 -2.018 1.00 0.00 N ATOM 612 CA GLU B 42 3.273 -12.567 -1.758 1.00 0.00 C ATOM 613 C GLU B 42 3.250 -12.903 -0.266 1.00 0.00 C ATOM 614 O GLU B 42 3.658 -13.970 0.148 1.00 0.00 O ATOM 615 CB GLU B 42 4.710 -12.255 -2.188 1.00 0.00 C ATOM 616 CG GLU B 42 5.357 -11.306 -1.175 1.00 0.00 C ATOM 617 CD GLU B 42 6.139 -10.220 -1.916 1.00 0.00 C ATOM 618 OE1 GLU B 42 7.016 -10.571 -2.687 1.00 0.00 O ATOM 619 OE2 GLU B 42 5.848 -9.055 -1.698 1.00 0.00 O ATOM 0 H GLU B 42 2.864 -10.475 -1.898 1.00 0.00 H new ATOM 0 HA GLU B 42 2.899 -13.418 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU B 42 5.287 -13.177 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU B 42 4.713 -11.802 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU B 42 4.591 -10.852 -0.546 1.00 0.00 H new ATOM 0 HG3 GLU B 42 6.023 -11.862 -0.515 1.00 0.00 H new ATOM 626 N ARG B 43 2.782 -11.996 0.544 1.00 0.00 N ATOM 627 CA ARG B 43 2.738 -12.254 2.010 1.00 0.00 C ATOM 628 C ARG B 43 1.303 -12.081 2.515 1.00 0.00 C ATOM 629 O ARG B 43 0.475 -11.472 1.868 1.00 0.00 O ATOM 630 CB ARG B 43 3.668 -11.259 2.718 1.00 0.00 C ATOM 631 CG ARG B 43 3.291 -11.137 4.198 1.00 0.00 C ATOM 632 CD ARG B 43 4.125 -10.030 4.842 1.00 0.00 C ATOM 633 NE ARG B 43 4.379 -10.364 6.272 1.00 0.00 N ATOM 634 CZ ARG B 43 5.386 -9.821 6.898 1.00 0.00 C ATOM 635 NH1 ARG B 43 5.312 -8.583 7.304 1.00 0.00 N ATOM 636 NH2 ARG B 43 6.469 -10.517 7.117 1.00 0.00 N ATOM 0 H ARG B 43 2.427 -11.085 0.254 1.00 0.00 H new ATOM 0 HA ARG B 43 3.067 -13.272 2.221 1.00 0.00 H new ATOM 0 HB2 ARG B 43 4.703 -11.589 2.626 1.00 0.00 H new ATOM 0 HB3 ARG B 43 3.601 -10.283 2.237 1.00 0.00 H new ATOM 0 HG2 ARG B 43 2.229 -10.913 4.297 1.00 0.00 H new ATOM 0 HG3 ARG B 43 3.466 -12.084 4.709 1.00 0.00 H new ATOM 0 HD2 ARG B 43 5.070 -9.917 4.311 1.00 0.00 H new ATOM 0 HD3 ARG B 43 3.602 -9.077 4.768 1.00 0.00 H new ATOM 0 HE ARG B 43 3.766 -11.017 6.761 1.00 0.00 H new ATOM 0 HH11 ARG B 43 4.466 -8.040 7.132 1.00 0.00 H new ATOM 0 HH12 ARG B 43 6.100 -8.159 7.794 1.00 0.00 H new ATOM 0 HH21 ARG B 43 6.527 -11.484 6.799 1.00 0.00 H new ATOM 0 HH22 ARG B 43 7.257 -10.093 7.606 1.00 0.00 H new ATOM 650 N GLY B 44 1.007 -12.608 3.672 1.00 0.00 N ATOM 651 CA GLY B 44 -0.370 -12.469 4.222 1.00 0.00 C ATOM 652 C GLY B 44 -0.802 -11.006 4.135 1.00 0.00 C ATOM 653 O GLY B 44 0.006 -10.123 3.929 1.00 0.00 O ATOM 0 H GLY B 44 1.659 -13.128 4.259 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -1.063 -13.099 3.663 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -0.396 -12.807 5.258 1.00 0.00 H new ATOM 657 N GLY B 45 -2.069 -10.740 4.286 1.00 0.00 N ATOM 658 CA GLY B 45 -2.547 -9.331 4.207 1.00 0.00 C ATOM 659 C GLY B 45 -3.496 -9.185 3.017 1.00 0.00 C ATOM 660 O GLY B 45 -4.163 -8.181 2.862 1.00 0.00 O ATOM 0 H GLY B 45 -2.794 -11.436 4.461 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -3.058 -9.056 5.130 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -1.700 -8.653 4.097 1.00 0.00 H new ATOM 664 N PHE B 46 -3.564 -10.182 2.177 1.00 0.00 N ATOM 665 CA PHE B 46 -4.472 -10.109 1.000 1.00 0.00 C ATOM 666 C PHE B 46 -5.816 -9.525 1.437 1.00 0.00 C ATOM 667 O PHE B 46 -6.455 -10.027 2.340 1.00 0.00 O ATOM 668 CB PHE B 46 -4.684 -11.519 0.441 1.00 0.00 C ATOM 669 CG PHE B 46 -5.522 -11.427 -0.873 1.00 0.00 C ATOM 670 CD1 PHE B 46 -5.639 -10.197 -1.587 1.00 0.00 C ATOM 671 CD2 PHE B 46 -6.193 -12.562 -1.396 1.00 0.00 C ATOM 672 CE1 PHE B 46 -6.393 -10.128 -2.764 1.00 0.00 C ATOM 673 CE2 PHE B 46 -6.943 -12.470 -2.575 1.00 0.00 C ATOM 674 CZ PHE B 46 -7.041 -11.259 -3.256 1.00 0.00 C ATOM 0 H PHE B 46 -3.028 -11.046 2.257 1.00 0.00 H new ATOM 0 HA PHE B 46 -4.032 -9.474 0.231 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -3.723 -11.993 0.242 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -5.200 -12.140 1.173 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -5.142 -9.313 -1.216 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -6.125 -13.508 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -6.473 -9.191 -3.295 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -7.449 -13.344 -2.959 1.00 0.00 H new ATOM 0 HZ PHE B 46 -7.620 -11.197 -4.166 1.00 0.00 H new ATOM 684 N TYR B 47 -6.255 -8.473 0.804 1.00 0.00 N ATOM 685 CA TYR B 47 -7.552 -7.872 1.183 1.00 0.00 C ATOM 686 C TYR B 47 -8.456 -7.867 -0.052 1.00 0.00 C ATOM 687 O TYR B 47 -8.542 -8.849 -0.758 1.00 0.00 O ATOM 688 CB TYR B 47 -7.325 -6.442 1.710 1.00 0.00 C ATOM 689 CG TYR B 47 -6.622 -5.574 0.612 1.00 0.00 C ATOM 690 CD1 TYR B 47 -5.278 -5.832 0.207 1.00 0.00 C ATOM 691 CD2 TYR B 47 -7.306 -4.500 -0.021 1.00 0.00 C ATOM 692 CE1 TYR B 47 -4.668 -5.045 -0.778 1.00 0.00 C ATOM 693 CE2 TYR B 47 -6.676 -3.729 -1.003 1.00 0.00 C ATOM 694 CZ TYR B 47 -5.364 -3.999 -1.378 1.00 0.00 C ATOM 695 OH TYR B 47 -4.754 -3.231 -2.346 1.00 0.00 O ATOM 0 H TYR B 47 -5.766 -8.007 0.040 1.00 0.00 H new ATOM 0 HA TYR B 47 -8.029 -8.449 1.976 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -8.278 -5.992 1.987 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -6.712 -6.470 2.611 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -4.727 -6.641 0.664 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -8.325 -4.277 0.260 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.650 -5.251 -1.074 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -7.212 -2.918 -1.474 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.972 -3.706 -2.696 1.00 0.00 H new ATOM 705 N THR B 48 -9.120 -6.782 -0.320 1.00 0.00 N ATOM 706 CA THR B 48 -10.017 -6.715 -1.513 1.00 0.00 C ATOM 707 C THR B 48 -10.973 -5.534 -1.346 1.00 0.00 C ATOM 708 O THR B 48 -11.090 -4.684 -2.206 1.00 0.00 O ATOM 709 CB THR B 48 -10.809 -8.033 -1.646 1.00 0.00 C ATOM 710 OG1 THR B 48 -10.071 -8.945 -2.446 1.00 0.00 O ATOM 711 CG2 THR B 48 -12.170 -7.784 -2.308 1.00 0.00 C ATOM 0 H THR B 48 -9.083 -5.929 0.238 1.00 0.00 H new ATOM 0 HA THR B 48 -9.425 -6.576 -2.417 1.00 0.00 H new ATOM 0 HB THR B 48 -10.969 -8.443 -0.649 1.00 0.00 H new ATOM 0 HG1 THR B 48 -9.363 -9.354 -1.907 1.00 0.00 H new ATOM 0 HG21 THR B 48 -12.712 -8.726 -2.392 1.00 0.00 H new ATOM 0 HG22 THR B 48 -12.747 -7.086 -1.701 1.00 0.00 H new ATOM 0 HG23 THR B 48 -12.020 -7.362 -3.302 1.00 0.00 H new ATOM 719 N LYS B 49 -11.656 -5.484 -0.243 1.00 0.00 N ATOM 720 CA LYS B 49 -12.613 -4.368 -0.004 1.00 0.00 C ATOM 721 C LYS B 49 -13.171 -4.470 1.421 1.00 0.00 C ATOM 722 O LYS B 49 -13.941 -5.363 1.715 1.00 0.00 O ATOM 723 CB LYS B 49 -13.766 -4.467 -1.005 1.00 0.00 C ATOM 724 CG LYS B 49 -14.467 -3.111 -1.110 1.00 0.00 C ATOM 725 CD LYS B 49 -15.069 -2.954 -2.508 1.00 0.00 C ATOM 726 CE LYS B 49 -16.008 -4.126 -2.794 1.00 0.00 C ATOM 727 NZ LYS B 49 -17.378 -3.794 -2.310 1.00 0.00 N ATOM 0 H LYS B 49 -11.595 -6.170 0.509 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.099 -3.415 -0.128 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.389 -4.770 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -14.475 -5.231 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -15.249 -3.035 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -13.757 -2.307 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -15.614 -2.013 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -14.276 -2.919 -3.255 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -16.029 -4.336 -3.863 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -15.644 -5.027 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -18.017 -4.591 -2.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -17.350 -3.614 -1.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -17.724 -2.945 -2.802 1.00 0.00 H new ATOM 741 N PRO B 50 -12.770 -3.553 2.266 1.00 0.00 N ATOM 742 CA PRO B 50 -13.222 -3.520 3.665 1.00 0.00 C ATOM 743 C PRO B 50 -14.651 -2.977 3.753 1.00 0.00 C ATOM 744 O PRO B 50 -15.271 -2.671 2.753 1.00 0.00 O ATOM 745 CB PRO B 50 -12.231 -2.573 4.345 1.00 0.00 C ATOM 746 CG PRO B 50 -11.633 -1.694 3.224 1.00 0.00 C ATOM 747 CD PRO B 50 -11.836 -2.469 1.910 1.00 0.00 C ATOM 0 HA PRO B 50 -13.245 -4.505 4.131 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -12.731 -1.960 5.095 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -11.449 -3.132 4.860 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -12.130 -0.725 3.184 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -10.575 -1.503 3.403 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -12.249 -1.829 1.130 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -10.893 -2.865 1.532 1.00 0.00 H new ATOM 755 N THR B 51 -15.178 -2.854 4.940 1.00 0.00 N ATOM 756 CA THR B 51 -16.565 -2.330 5.087 1.00 0.00 C ATOM 757 C THR B 51 -16.554 -1.107 6.006 1.00 0.00 C ATOM 758 O THR B 51 -15.483 -0.742 6.461 1.00 0.00 O ATOM 759 CB THR B 51 -17.459 -3.414 5.693 1.00 0.00 C ATOM 760 OG1 THR B 51 -17.025 -3.699 7.015 1.00 0.00 O ATOM 761 CG2 THR B 51 -17.374 -4.682 4.841 1.00 0.00 C ATOM 762 OXT THR B 51 -17.618 -0.557 6.240 1.00 0.00 O ATOM 0 H THR B 51 -14.709 -3.093 5.813 1.00 0.00 H new ATOM 0 HA THR B 51 -16.951 -2.046 4.108 1.00 0.00 H new ATOM 0 HB THR B 51 -18.491 -3.064 5.717 1.00 0.00 H new ATOM 0 HG1 THR B 51 -17.598 -4.392 7.405 1.00 0.00 H new ATOM 0 HG21 THR B 51 -18.011 -5.454 5.273 1.00 0.00 H new ATOM 0 HG22 THR B 51 -17.707 -4.462 3.827 1.00 0.00 H new ATOM 0 HG23 THR B 51 -16.343 -5.035 4.815 1.00 0.00 H new TER 770 THR B 51