USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 364 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= 0.656 K(o=1.9,f=-1.3!) USER MOD Set 1.2: A 19 TYR OH : rot -171:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0786 USER MOD Single : A 12 SER OG : rot 73:sc= -3.07! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -5.67! C(o=-5.7!,f=-6!) USER MOD Single : A 18 ASN : amide:sc= -0.483 K(o=-0.48,f=-3.6!) USER MOD Single : A 21 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.15) USER MOD Single : B 1 PHE N :NH3+ -142:sc= 1.1 (180deg=0.22) USER MOD Single : B 3 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.15) 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=-0.000699 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : B 28 LYS NZ :NH3+ 161:sc= -0.188 (180deg=-1.14) USER MOD Single : B 30 THR OG1 : rot -12:sc= -0.261 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.083 10.196 2.484 1.00 0.00 N ATOM 2 CA GLY A 1 -11.243 8.948 1.615 1.00 0.00 C ATOM 3 C GLY A 1 -10.941 7.608 2.197 1.00 0.00 C ATOM 4 O GLY A 1 -11.075 7.393 3.386 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.332 11.040 1.929 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.711 10.127 3.310 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.097 10.271 2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.273 8.926 1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.607 9.075 0.739 1.00 0.00 H new ATOM 10 N GLY A 2 -10.530 6.677 1.382 1.00 0.00 N ATOM 11 CA GLY A 2 -10.214 5.317 1.905 1.00 0.00 C ATOM 12 C GLY A 2 -9.911 4.377 0.737 1.00 0.00 C ATOM 13 O GLY A 2 -10.466 3.301 0.633 1.00 0.00 O ATOM 0 H GLY A 2 -10.399 6.798 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.358 5.365 2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.054 4.935 2.484 1.00 0.00 H new ATOM 17 N GLY A 3 -9.035 4.774 -0.145 1.00 0.00 N ATOM 18 CA GLY A 3 -8.700 3.903 -1.306 1.00 0.00 C ATOM 19 C GLY A 3 -7.207 4.017 -1.618 1.00 0.00 C ATOM 20 O GLY A 3 -6.741 3.567 -2.647 1.00 0.00 O ATOM 0 H GLY A 3 -8.537 5.664 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.957 2.868 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.287 4.197 -2.176 1.00 0.00 H new ATOM 24 N GLU A 4 -6.452 4.616 -0.739 1.00 0.00 N ATOM 25 CA GLU A 4 -4.988 4.759 -0.985 1.00 0.00 C ATOM 26 C GLU A 4 -4.220 4.430 0.297 1.00 0.00 C ATOM 27 O GLU A 4 -3.841 5.306 1.048 1.00 0.00 O ATOM 28 CB GLU A 4 -4.679 6.198 -1.409 1.00 0.00 C ATOM 29 CG GLU A 4 -5.055 7.155 -0.278 1.00 0.00 C ATOM 30 CD GLU A 4 -5.431 8.518 -0.865 1.00 0.00 C ATOM 31 OE1 GLU A 4 -5.230 8.705 -2.053 1.00 0.00 O ATOM 32 OE2 GLU A 4 -5.915 9.350 -0.115 1.00 0.00 O ATOM 0 H GLU A 4 -6.785 5.013 0.140 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.685 4.074 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.620 6.299 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.235 6.449 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.891 6.750 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.220 7.263 0.414 1.00 0.00 H new ATOM 39 N GLN A 5 -3.990 3.171 0.555 1.00 0.00 N ATOM 40 CA GLN A 5 -3.248 2.788 1.789 1.00 0.00 C ATOM 41 C GLN A 5 -1.753 2.695 1.479 1.00 0.00 C ATOM 42 O GLN A 5 -0.920 2.790 2.358 1.00 0.00 O ATOM 43 CB GLN A 5 -3.754 1.433 2.289 1.00 0.00 C ATOM 44 CG GLN A 5 -3.466 0.362 1.236 1.00 0.00 C ATOM 45 CD GLN A 5 -4.219 -0.921 1.590 1.00 0.00 C ATOM 46 OE1 GLN A 5 -3.983 -1.512 2.624 1.00 0.00 O ATOM 47 NE2 GLN A 5 -5.124 -1.380 0.767 1.00 0.00 N ATOM 0 H GLN A 5 -4.284 2.392 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.411 3.542 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.266 1.175 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.824 1.483 2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.771 0.715 0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.395 0.165 1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.322 -0.883 -0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.632 -2.235 0.993 1.00 0.00 H new ATOM 56 N CYS A 6 -1.408 2.508 0.237 1.00 0.00 N ATOM 57 CA CYS A 6 0.035 2.406 -0.127 1.00 0.00 C ATOM 58 C CYS A 6 0.306 3.218 -1.397 1.00 0.00 C ATOM 59 O CYS A 6 1.403 3.222 -1.918 1.00 0.00 O ATOM 60 CB CYS A 6 0.396 0.941 -0.373 1.00 0.00 C ATOM 61 SG CYS A 6 0.446 0.055 1.206 1.00 0.00 S ATOM 0 H CYS A 6 -2.060 2.421 -0.542 1.00 0.00 H new ATOM 0 HA CYS A 6 0.641 2.799 0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.337 0.482 -1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.363 0.873 -0.871 1.00 0.00 H new ATOM 66 N CYS A 7 -0.680 3.909 -1.900 1.00 0.00 N ATOM 67 CA CYS A 7 -0.468 4.718 -3.132 1.00 0.00 C ATOM 68 C CYS A 7 0.137 6.069 -2.749 1.00 0.00 C ATOM 69 O CYS A 7 0.913 6.645 -3.485 1.00 0.00 O ATOM 70 CB CYS A 7 -1.809 4.938 -3.838 1.00 0.00 C ATOM 71 SG CYS A 7 -1.517 5.607 -5.494 1.00 0.00 S ATOM 0 H CYS A 7 -1.622 3.948 -1.511 1.00 0.00 H new ATOM 0 HA CYS A 7 0.210 4.191 -3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.355 3.997 -3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.428 5.625 -3.261 1.00 0.00 H new ATOM 76 N THR A 8 -0.209 6.573 -1.596 1.00 0.00 N ATOM 77 CA THR A 8 0.350 7.883 -1.158 1.00 0.00 C ATOM 78 C THR A 8 1.476 7.639 -0.152 1.00 0.00 C ATOM 79 O THR A 8 2.594 8.078 -0.336 1.00 0.00 O ATOM 80 CB THR A 8 -0.754 8.713 -0.499 1.00 0.00 C ATOM 81 OG1 THR A 8 -1.201 8.053 0.676 1.00 0.00 O ATOM 82 CG2 THR A 8 -1.923 8.880 -1.470 1.00 0.00 C ATOM 0 H THR A 8 -0.854 6.134 -0.939 1.00 0.00 H new ATOM 0 HA THR A 8 0.741 8.422 -2.021 1.00 0.00 H new ATOM 0 HB THR A 8 -0.362 9.696 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.907 8.584 1.101 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.707 9.471 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.578 9.388 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.318 7.900 -1.736 1.00 0.00 H new ATOM 90 N SER A 9 1.189 6.937 0.910 1.00 0.00 N ATOM 91 CA SER A 9 2.242 6.659 1.927 1.00 0.00 C ATOM 92 C SER A 9 3.048 5.432 1.498 1.00 0.00 C ATOM 93 O SER A 9 2.738 4.788 0.515 1.00 0.00 O ATOM 94 CB SER A 9 1.584 6.392 3.282 1.00 0.00 C ATOM 95 OG SER A 9 2.587 6.336 4.288 1.00 0.00 O ATOM 0 H SER A 9 0.271 6.544 1.117 1.00 0.00 H new ATOM 0 HA SER A 9 2.906 7.519 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.866 7.179 3.512 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.030 5.454 3.252 1.00 0.00 H new ATOM 0 HG SER A 9 2.169 6.167 5.158 1.00 0.00 H new ATOM 101 N ILE A 10 4.083 5.105 2.221 1.00 0.00 N ATOM 102 CA ILE A 10 4.908 3.922 1.845 1.00 0.00 C ATOM 103 C ILE A 10 4.634 2.774 2.819 1.00 0.00 C ATOM 104 O ILE A 10 4.463 2.979 4.005 1.00 0.00 O ATOM 105 CB ILE A 10 6.390 4.298 1.899 1.00 0.00 C ATOM 106 CG1 ILE A 10 6.589 5.662 1.234 1.00 0.00 C ATOM 107 CG2 ILE A 10 7.213 3.243 1.158 1.00 0.00 C ATOM 108 CD1 ILE A 10 6.403 5.523 -0.279 1.00 0.00 C ATOM 0 H ILE A 10 4.393 5.604 3.055 1.00 0.00 H new ATOM 0 HA ILE A 10 4.650 3.606 0.834 1.00 0.00 H new ATOM 0 HB ILE A 10 6.717 4.346 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.875 6.382 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.585 6.045 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.269 3.512 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.068 2.271 1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.889 3.193 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.544 6.494 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.134 4.817 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.397 5.159 -0.490 1.00 0.00 H new ATOM 120 N CYS A 11 4.588 1.566 2.327 1.00 0.00 N ATOM 121 CA CYS A 11 4.322 0.402 3.220 1.00 0.00 C ATOM 122 C CYS A 11 5.428 -0.639 3.037 1.00 0.00 C ATOM 123 O CYS A 11 6.416 -0.397 2.372 1.00 0.00 O ATOM 124 CB CYS A 11 2.971 -0.229 2.859 1.00 0.00 C ATOM 125 SG CYS A 11 1.816 1.056 2.305 1.00 0.00 S ATOM 0 H CYS A 11 4.723 1.334 1.343 1.00 0.00 H new ATOM 0 HA CYS A 11 4.299 0.740 4.256 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.106 -0.972 2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.561 -0.750 3.724 1.00 0.00 H new ATOM 130 N SER A 12 5.268 -1.801 3.612 1.00 0.00 N ATOM 131 CA SER A 12 6.308 -2.855 3.457 1.00 0.00 C ATOM 132 C SER A 12 5.641 -4.223 3.404 1.00 0.00 C ATOM 133 O SER A 12 4.441 -4.355 3.566 1.00 0.00 O ATOM 134 CB SER A 12 7.280 -2.822 4.633 1.00 0.00 C ATOM 135 OG SER A 12 8.070 -4.003 4.620 1.00 0.00 O ATOM 0 H SER A 12 4.463 -2.064 4.181 1.00 0.00 H new ATOM 0 HA SER A 12 6.857 -2.670 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.919 -1.942 4.567 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.731 -2.748 5.572 1.00 0.00 H new ATOM 0 HG SER A 12 8.720 -3.954 3.888 1.00 0.00 H new ATOM 141 N LEU A 13 6.418 -5.243 3.185 1.00 0.00 N ATOM 142 CA LEU A 13 5.845 -6.616 3.114 1.00 0.00 C ATOM 143 C LEU A 13 5.118 -6.932 4.419 1.00 0.00 C ATOM 144 O LEU A 13 4.325 -7.850 4.496 1.00 0.00 O ATOM 145 CB LEU A 13 6.968 -7.637 2.858 1.00 0.00 C ATOM 146 CG LEU A 13 7.655 -8.026 4.173 1.00 0.00 C ATOM 147 CD1 LEU A 13 8.599 -9.203 3.922 1.00 0.00 C ATOM 148 CD2 LEU A 13 8.459 -6.837 4.705 1.00 0.00 C ATOM 0 H LEU A 13 7.428 -5.187 3.052 1.00 0.00 H new ATOM 0 HA LEU A 13 5.132 -6.674 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.556 -8.526 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.700 -7.215 2.170 1.00 0.00 H new ATOM 0 HG LEU A 13 6.900 -8.310 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.089 -9.482 4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.030 -10.052 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.352 -8.915 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.946 -7.116 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.215 -6.552 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.790 -5.995 4.882 1.00 0.00 H new ATOM 160 N TYR A 14 5.380 -6.174 5.441 1.00 0.00 N ATOM 161 CA TYR A 14 4.706 -6.414 6.740 1.00 0.00 C ATOM 162 C TYR A 14 3.218 -6.136 6.592 1.00 0.00 C ATOM 163 O TYR A 14 2.386 -7.005 6.762 1.00 0.00 O ATOM 164 CB TYR A 14 5.288 -5.466 7.776 1.00 0.00 C ATOM 165 CG TYR A 14 6.495 -6.104 8.410 1.00 0.00 C ATOM 166 CD1 TYR A 14 6.330 -7.088 9.392 1.00 0.00 C ATOM 167 CD2 TYR A 14 7.780 -5.711 8.017 1.00 0.00 C ATOM 168 CE1 TYR A 14 7.452 -7.681 9.983 1.00 0.00 C ATOM 169 CE2 TYR A 14 8.905 -6.303 8.609 1.00 0.00 C ATOM 170 CZ TYR A 14 8.741 -7.288 9.592 1.00 0.00 C ATOM 171 OH TYR A 14 9.848 -7.872 10.175 1.00 0.00 O ATOM 0 H TYR A 14 6.037 -5.393 5.432 1.00 0.00 H new ATOM 0 HA TYR A 14 4.856 -7.448 7.051 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.565 -4.522 7.307 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.541 -5.237 8.537 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.338 -7.389 9.693 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.905 -4.952 7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.325 -8.441 10.740 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.897 -6.000 8.308 1.00 0.00 H new ATOM 0 HH TYR A 14 10.662 -7.487 9.790 1.00 0.00 H new ATOM 181 N GLN A 15 2.884 -4.926 6.268 1.00 0.00 N ATOM 182 CA GLN A 15 1.450 -4.575 6.097 1.00 0.00 C ATOM 183 C GLN A 15 0.874 -5.473 5.004 1.00 0.00 C ATOM 184 O GLN A 15 -0.225 -5.981 5.109 1.00 0.00 O ATOM 185 CB GLN A 15 1.329 -3.075 5.745 1.00 0.00 C ATOM 186 CG GLN A 15 0.718 -2.864 4.352 1.00 0.00 C ATOM 187 CD GLN A 15 0.219 -1.423 4.233 1.00 0.00 C ATOM 188 OE1 GLN A 15 -0.638 -1.131 3.424 1.00 0.00 O ATOM 189 NE2 GLN A 15 0.720 -0.503 5.012 1.00 0.00 N ATOM 0 H GLN A 15 3.541 -4.161 6.113 1.00 0.00 H new ATOM 0 HA GLN A 15 0.885 -4.737 7.015 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.713 -2.575 6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.315 -2.612 5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.461 -3.069 3.581 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.105 -3.561 4.194 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.440 -0.747 5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.391 0.460 4.941 1.00 0.00 H new ATOM 198 N LEU A 16 1.625 -5.685 3.966 1.00 0.00 N ATOM 199 CA LEU A 16 1.148 -6.568 2.869 1.00 0.00 C ATOM 200 C LEU A 16 1.045 -7.992 3.411 1.00 0.00 C ATOM 201 O LEU A 16 0.189 -8.760 3.018 1.00 0.00 O ATOM 202 CB LEU A 16 2.146 -6.528 1.709 1.00 0.00 C ATOM 203 CG LEU A 16 2.397 -5.075 1.303 1.00 0.00 C ATOM 204 CD1 LEU A 16 3.660 -4.996 0.444 1.00 0.00 C ATOM 205 CD2 LEU A 16 1.202 -4.559 0.500 1.00 0.00 C ATOM 0 H LEU A 16 2.553 -5.284 3.828 1.00 0.00 H new ATOM 0 HA LEU A 16 0.175 -6.232 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.082 -7.001 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.757 -7.092 0.861 1.00 0.00 H new ATOM 0 HG LEU A 16 2.527 -4.465 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.839 -3.960 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.512 -5.366 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.530 -5.605 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.379 -3.523 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.073 -5.170 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.301 -4.616 1.111 1.00 0.00 H new ATOM 217 N GLU A 17 1.910 -8.344 4.326 1.00 0.00 N ATOM 218 CA GLU A 17 1.861 -9.711 4.911 1.00 0.00 C ATOM 219 C GLU A 17 0.741 -9.766 5.943 1.00 0.00 C ATOM 220 O GLU A 17 0.290 -10.824 6.335 1.00 0.00 O ATOM 221 CB GLU A 17 3.194 -10.024 5.597 1.00 0.00 C ATOM 222 CG GLU A 17 4.186 -10.572 4.572 1.00 0.00 C ATOM 223 CD GLU A 17 4.670 -11.952 5.022 1.00 0.00 C ATOM 224 OE1 GLU A 17 3.926 -12.618 5.721 1.00 0.00 O ATOM 225 OE2 GLU A 17 5.776 -12.317 4.659 1.00 0.00 O ATOM 0 H GLU A 17 2.647 -7.742 4.692 1.00 0.00 H new ATOM 0 HA GLU A 17 1.680 -10.442 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.596 -9.123 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.041 -10.751 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.713 -10.642 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.032 -9.893 4.469 1.00 0.00 H new ATOM 232 N ASN A 18 0.289 -8.628 6.385 1.00 0.00 N ATOM 233 CA ASN A 18 -0.803 -8.602 7.391 1.00 0.00 C ATOM 234 C ASN A 18 -2.152 -8.716 6.680 1.00 0.00 C ATOM 235 O ASN A 18 -3.195 -8.687 7.301 1.00 0.00 O ATOM 236 CB ASN A 18 -0.747 -7.285 8.165 1.00 0.00 C ATOM 237 CG ASN A 18 -0.443 -7.571 9.637 1.00 0.00 C ATOM 238 OD1 ASN A 18 -0.499 -8.703 10.073 1.00 0.00 O ATOM 239 ND2 ASN A 18 -0.122 -6.584 10.427 1.00 0.00 N ATOM 0 H ASN A 18 0.630 -7.713 6.091 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.683 -9.437 8.081 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.020 -6.636 7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.696 -6.757 8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.082 -6.763 11.410 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.075 -5.633 10.062 1.00 0.00 H new ATOM 246 N TYR A 19 -2.141 -8.838 5.379 1.00 0.00 N ATOM 247 CA TYR A 19 -3.427 -8.944 4.633 1.00 0.00 C ATOM 248 C TYR A 19 -3.679 -10.399 4.241 1.00 0.00 C ATOM 249 O TYR A 19 -4.807 -10.831 4.104 1.00 0.00 O ATOM 250 CB TYR A 19 -3.353 -8.086 3.369 1.00 0.00 C ATOM 251 CG TYR A 19 -3.775 -6.674 3.691 1.00 0.00 C ATOM 252 CD1 TYR A 19 -4.946 -6.442 4.424 1.00 0.00 C ATOM 253 CD2 TYR A 19 -2.993 -5.593 3.258 1.00 0.00 C ATOM 254 CE1 TYR A 19 -5.336 -5.131 4.725 1.00 0.00 C ATOM 255 CE2 TYR A 19 -3.385 -4.282 3.558 1.00 0.00 C ATOM 256 CZ TYR A 19 -4.555 -4.050 4.292 1.00 0.00 C ATOM 257 OH TYR A 19 -4.940 -2.758 4.589 1.00 0.00 O ATOM 0 H TYR A 19 -1.300 -8.869 4.803 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.241 -8.595 5.268 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.338 -8.091 2.972 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.999 -8.502 2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.548 -7.274 4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.089 -5.771 2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.239 -4.953 5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.784 -3.449 3.223 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.373 -2.127 4.098 1.00 0.00 H new ATOM 267 N CYS A 20 -2.636 -11.154 4.054 1.00 0.00 N ATOM 268 CA CYS A 20 -2.811 -12.581 3.663 1.00 0.00 C ATOM 269 C CYS A 20 -2.633 -13.475 4.888 1.00 0.00 C ATOM 270 O CYS A 20 -2.646 -13.017 6.012 1.00 0.00 O ATOM 271 CB CYS A 20 -1.764 -12.955 2.610 1.00 0.00 C ATOM 272 SG CYS A 20 -1.494 -11.553 1.499 1.00 0.00 S ATOM 0 H CYS A 20 -1.669 -10.846 4.155 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.811 -12.721 3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.828 -13.233 3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.099 -13.823 2.042 1.00 0.00 H new ATOM 277 N ASN A 21 -2.467 -14.752 4.676 1.00 0.00 N ATOM 278 CA ASN A 21 -2.286 -15.683 5.826 1.00 0.00 C ATOM 279 C ASN A 21 -3.598 -15.798 6.602 1.00 0.00 C ATOM 280 O ASN A 21 -3.564 -15.638 7.811 1.00 0.00 O ATOM 281 CB ASN A 21 -1.191 -15.146 6.751 1.00 0.00 C ATOM 282 CG ASN A 21 0.037 -14.764 5.921 1.00 0.00 C ATOM 283 OD1 ASN A 21 0.341 -13.596 5.768 1.00 0.00 O ATOM 284 ND2 ASN A 21 0.759 -15.702 5.375 1.00 0.00 N ATOM 285 OXT ASN A 21 -4.616 -16.043 5.975 1.00 0.00 O ATOM 0 H ASN A 21 -2.449 -15.191 3.756 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.997 -16.666 5.454 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.557 -14.278 7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.923 -15.900 7.491 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.579 -15.457 4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.504 -16.681 5.503 1.00 0.00 H new TER 292 ASN A 21 ATOM 293 N PHE B 1 15.508 -5.965 -0.351 1.00 0.00 N ATOM 294 CA PHE B 1 14.367 -5.310 -1.052 1.00 0.00 C ATOM 295 C PHE B 1 13.981 -4.029 -0.313 1.00 0.00 C ATOM 296 O PHE B 1 14.157 -3.913 0.884 1.00 0.00 O ATOM 297 CB PHE B 1 13.170 -6.262 -1.077 1.00 0.00 C ATOM 298 CG PHE B 1 12.923 -6.796 0.313 1.00 0.00 C ATOM 299 CD1 PHE B 1 12.238 -6.013 1.253 1.00 0.00 C ATOM 300 CD2 PHE B 1 13.379 -8.073 0.663 1.00 0.00 C ATOM 301 CE1 PHE B 1 12.009 -6.508 2.543 1.00 0.00 C ATOM 302 CE2 PHE B 1 13.151 -8.567 1.955 1.00 0.00 C ATOM 303 CZ PHE B 1 12.465 -7.786 2.894 1.00 0.00 C ATOM 0 H1 PHE B 1 16.160 -6.371 -1.053 1.00 0.00 H new ATOM 0 H2 PHE B 1 16.013 -5.260 0.224 1.00 0.00 H new ATOM 0 H3 PHE B 1 15.148 -6.721 0.266 1.00 0.00 H new ATOM 0 HA PHE B 1 14.661 -5.066 -2.073 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.285 -5.741 -1.441 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.361 -7.085 -1.766 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.887 -5.028 0.982 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.906 -8.676 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.481 -5.905 3.267 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.505 -9.551 2.227 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.288 -8.169 3.888 1.00 0.00 H new ATOM 315 N VAL B 2 13.449 -3.066 -1.015 1.00 0.00 N ATOM 316 CA VAL B 2 13.048 -1.796 -0.351 1.00 0.00 C ATOM 317 C VAL B 2 11.543 -1.594 -0.508 1.00 0.00 C ATOM 318 O VAL B 2 10.797 -2.518 -0.765 1.00 0.00 O ATOM 319 CB VAL B 2 13.815 -0.618 -0.977 1.00 0.00 C ATOM 320 CG1 VAL B 2 13.046 -0.037 -2.170 1.00 0.00 C ATOM 321 CG2 VAL B 2 14.020 0.473 0.078 1.00 0.00 C ATOM 0 H VAL B 2 13.275 -3.105 -2.019 1.00 0.00 H new ATOM 0 HA VAL B 2 13.290 -1.845 0.711 1.00 0.00 H new ATOM 0 HB VAL B 2 14.780 -0.981 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.608 0.794 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.912 -0.809 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.071 0.318 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.563 1.309 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.051 0.819 0.436 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.592 0.069 0.913 1.00 0.00 H new ATOM 331 N ASN B 3 11.099 -0.385 -0.354 1.00 0.00 N ATOM 332 CA ASN B 3 9.645 -0.097 -0.490 1.00 0.00 C ATOM 333 C ASN B 3 9.404 0.741 -1.746 1.00 0.00 C ATOM 334 O ASN B 3 10.325 1.251 -2.351 1.00 0.00 O ATOM 335 CB ASN B 3 9.161 0.677 0.737 1.00 0.00 C ATOM 336 CG ASN B 3 9.584 -0.063 2.007 1.00 0.00 C ATOM 337 OD1 ASN B 3 9.991 0.551 2.973 1.00 0.00 O ATOM 338 ND2 ASN B 3 9.507 -1.365 2.047 1.00 0.00 N ATOM 0 H ASN B 3 11.682 0.424 -0.138 1.00 0.00 H new ATOM 0 HA ASN B 3 9.097 -1.036 -0.569 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.579 1.684 0.733 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.076 0.783 0.709 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.788 -1.867 2.889 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.165 -1.881 1.236 1.00 0.00 H new ATOM 345 N GLN B 4 8.169 0.889 -2.139 1.00 0.00 N ATOM 346 CA GLN B 4 7.862 1.696 -3.351 1.00 0.00 C ATOM 347 C GLN B 4 6.406 2.158 -3.295 1.00 0.00 C ATOM 348 O GLN B 4 5.666 1.800 -2.400 1.00 0.00 O ATOM 349 CB GLN B 4 8.083 0.846 -4.605 1.00 0.00 C ATOM 350 CG GLN B 4 8.880 1.653 -5.630 1.00 0.00 C ATOM 351 CD GLN B 4 10.167 0.906 -5.982 1.00 0.00 C ATOM 352 OE1 GLN B 4 10.127 -0.150 -6.582 1.00 0.00 O ATOM 353 NE2 GLN B 4 11.319 1.412 -5.630 1.00 0.00 N ATOM 0 H GLN B 4 7.358 0.484 -1.671 1.00 0.00 H new ATOM 0 HA GLN B 4 8.519 2.565 -3.386 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.619 -0.068 -4.349 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.124 0.545 -5.028 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.282 1.811 -6.528 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.118 2.638 -5.228 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.354 2.298 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.183 0.921 -5.859 1.00 0.00 H new ATOM 362 N HIS B 5 5.986 2.953 -4.240 1.00 0.00 N ATOM 363 CA HIS B 5 4.576 3.438 -4.232 1.00 0.00 C ATOM 364 C HIS B 5 3.706 2.494 -5.063 1.00 0.00 C ATOM 365 O HIS B 5 3.847 2.404 -6.268 1.00 0.00 O ATOM 366 CB HIS B 5 4.498 4.849 -4.830 1.00 0.00 C ATOM 367 CG HIS B 5 5.842 5.524 -4.754 1.00 0.00 C ATOM 368 ND1 HIS B 5 6.525 5.894 -5.892 1.00 0.00 N ATOM 369 CD2 HIS B 5 6.609 5.884 -3.681 1.00 0.00 C ATOM 370 CE1 HIS B 5 7.670 6.459 -5.487 1.00 0.00 C ATOM 371 NE2 HIS B 5 7.766 6.475 -4.141 1.00 0.00 N ATOM 0 H HIS B 5 6.557 3.288 -5.016 1.00 0.00 H new ATOM 0 HA HIS B 5 4.219 3.463 -3.203 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.169 4.794 -5.868 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.756 5.439 -4.292 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.351 5.731 -2.644 1.00 0.00 H new ATOM 0 HE1 HIS B 5 8.422 6.853 -6.154 1.00 0.00 H new ATOM 0 HE2 HIS B 5 8.534 6.847 -3.582 1.00 0.00 H new ATOM 379 N LEU B 6 2.798 1.797 -4.435 1.00 0.00 N ATOM 380 CA LEU B 6 1.913 0.869 -5.196 1.00 0.00 C ATOM 381 C LEU B 6 0.519 1.490 -5.309 1.00 0.00 C ATOM 382 O LEU B 6 0.079 2.206 -4.431 1.00 0.00 O ATOM 383 CB LEU B 6 1.818 -0.471 -4.463 1.00 0.00 C ATOM 384 CG LEU B 6 3.171 -1.181 -4.510 1.00 0.00 C ATOM 385 CD1 LEU B 6 3.710 -1.159 -5.941 1.00 0.00 C ATOM 386 CD2 LEU B 6 4.155 -0.465 -3.584 1.00 0.00 C ATOM 0 H LEU B 6 2.631 1.830 -3.429 1.00 0.00 H new ATOM 0 HA LEU B 6 2.326 0.703 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.517 -0.310 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.053 -1.095 -4.924 1.00 0.00 H new ATOM 0 HG LEU B 6 3.050 -2.214 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.675 -1.665 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.009 -1.670 -6.602 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.831 -0.126 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.120 -0.971 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.276 0.568 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.772 -0.481 -2.564 1.00 0.00 H new ATOM 398 N CYS B 7 -0.178 1.234 -6.382 1.00 0.00 N ATOM 399 CA CYS B 7 -1.536 1.826 -6.537 1.00 0.00 C ATOM 400 C CYS B 7 -2.437 0.880 -7.335 1.00 0.00 C ATOM 401 O CYS B 7 -2.198 0.605 -8.495 1.00 0.00 O ATOM 402 CB CYS B 7 -1.423 3.162 -7.273 1.00 0.00 C ATOM 403 SG CYS B 7 -0.298 4.254 -6.368 1.00 0.00 S ATOM 0 H CYS B 7 0.132 0.644 -7.154 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.972 1.982 -5.550 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.055 3.001 -8.286 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.406 3.626 -7.361 1.00 0.00 H new ATOM 408 N GLY B 8 -3.481 0.391 -6.724 1.00 0.00 N ATOM 409 CA GLY B 8 -4.413 -0.526 -7.443 1.00 0.00 C ATOM 410 C GLY B 8 -3.661 -1.758 -7.949 1.00 0.00 C ATOM 411 O GLY B 8 -2.995 -2.442 -7.200 1.00 0.00 O ATOM 0 H GLY B 8 -3.730 0.587 -5.755 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.219 -0.832 -6.776 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.874 -0.003 -8.281 1.00 0.00 H new ATOM 415 N SER B 9 -3.776 -2.049 -9.217 1.00 0.00 N ATOM 416 CA SER B 9 -3.082 -3.244 -9.783 1.00 0.00 C ATOM 417 C SER B 9 -1.678 -3.372 -9.186 1.00 0.00 C ATOM 418 O SER B 9 -1.358 -4.346 -8.537 1.00 0.00 O ATOM 419 CB SER B 9 -2.973 -3.095 -11.301 1.00 0.00 C ATOM 420 OG SER B 9 -2.953 -4.386 -11.897 1.00 0.00 O ATOM 0 H SER B 9 -4.322 -1.509 -9.888 1.00 0.00 H new ATOM 0 HA SER B 9 -3.656 -4.137 -9.538 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.815 -2.518 -11.683 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.067 -2.547 -11.561 1.00 0.00 H new ATOM 0 HG SER B 9 -2.885 -4.296 -12.870 1.00 0.00 H new ATOM 426 N ASP B 10 -0.835 -2.403 -9.409 1.00 0.00 N ATOM 427 CA ASP B 10 0.548 -2.480 -8.862 1.00 0.00 C ATOM 428 C ASP B 10 0.509 -2.935 -7.403 1.00 0.00 C ATOM 429 O ASP B 10 1.412 -3.593 -6.921 1.00 0.00 O ATOM 430 CB ASP B 10 1.211 -1.104 -8.956 1.00 0.00 C ATOM 431 CG ASP B 10 1.606 -0.828 -10.408 1.00 0.00 C ATOM 432 OD1 ASP B 10 0.718 -0.780 -11.243 1.00 0.00 O ATOM 433 OD2 ASP B 10 2.788 -0.667 -10.661 1.00 0.00 O ATOM 0 H ASP B 10 -1.044 -1.561 -9.946 1.00 0.00 H new ATOM 0 HA ASP B 10 1.123 -3.201 -9.442 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.527 -0.333 -8.601 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.092 -1.068 -8.315 1.00 0.00 H new ATOM 438 N LEU B 11 -0.528 -2.594 -6.694 1.00 0.00 N ATOM 439 CA LEU B 11 -0.619 -3.011 -5.265 1.00 0.00 C ATOM 440 C LEU B 11 -0.826 -4.522 -5.191 1.00 0.00 C ATOM 441 O LEU B 11 -0.512 -5.155 -4.203 1.00 0.00 O ATOM 442 CB LEU B 11 -1.788 -2.293 -4.586 1.00 0.00 C ATOM 443 CG LEU B 11 -1.245 -1.311 -3.549 1.00 0.00 C ATOM 444 CD1 LEU B 11 -2.405 -0.559 -2.897 1.00 0.00 C ATOM 445 CD2 LEU B 11 -0.470 -2.081 -2.475 1.00 0.00 C ATOM 0 H LEU B 11 -1.316 -2.046 -7.039 1.00 0.00 H new ATOM 0 HA LEU B 11 0.305 -2.745 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.384 -1.763 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.446 -3.018 -4.107 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.581 -0.598 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.015 0.141 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.958 -0.011 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.071 -1.270 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.082 -1.382 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.135 -2.794 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.359 -2.616 -2.938 1.00 0.00 H new ATOM 457 N VAL B 12 -1.337 -5.107 -6.234 1.00 0.00 N ATOM 458 CA VAL B 12 -1.545 -6.580 -6.230 1.00 0.00 C ATOM 459 C VAL B 12 -0.207 -7.257 -6.458 1.00 0.00 C ATOM 460 O VAL B 12 0.146 -8.206 -5.791 1.00 0.00 O ATOM 461 CB VAL B 12 -2.516 -6.972 -7.343 1.00 0.00 C ATOM 462 CG1 VAL B 12 -2.810 -8.470 -7.262 1.00 0.00 C ATOM 463 CG2 VAL B 12 -3.816 -6.187 -7.179 1.00 0.00 C ATOM 0 H VAL B 12 -1.620 -4.630 -7.090 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.965 -6.892 -5.274 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.071 -6.744 -8.312 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.503 -8.748 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.882 -9.030 -7.377 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.255 -8.702 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.511 -6.464 -7.972 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.260 -6.417 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.606 -5.119 -7.238 1.00 0.00 H new ATOM 473 N GLU B 13 0.551 -6.760 -7.382 1.00 0.00 N ATOM 474 CA GLU B 13 1.883 -7.360 -7.635 1.00 0.00 C ATOM 475 C GLU B 13 2.655 -7.341 -6.320 1.00 0.00 C ATOM 476 O GLU B 13 3.538 -8.141 -6.085 1.00 0.00 O ATOM 477 CB GLU B 13 2.630 -6.540 -8.690 1.00 0.00 C ATOM 478 CG GLU B 13 3.905 -7.278 -9.103 1.00 0.00 C ATOM 479 CD GLU B 13 4.806 -6.331 -9.897 1.00 0.00 C ATOM 480 OE1 GLU B 13 4.665 -5.130 -9.728 1.00 0.00 O ATOM 481 OE2 GLU B 13 5.620 -6.821 -10.662 1.00 0.00 O ATOM 0 H GLU B 13 0.309 -5.965 -7.974 1.00 0.00 H new ATOM 0 HA GLU B 13 1.780 -8.381 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.992 -6.380 -9.559 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.879 -5.557 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.430 -7.642 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.654 -8.150 -9.707 1.00 0.00 H new ATOM 488 N ALA B 14 2.307 -6.431 -5.448 1.00 0.00 N ATOM 489 CA ALA B 14 2.997 -6.352 -4.136 1.00 0.00 C ATOM 490 C ALA B 14 2.320 -7.310 -3.156 1.00 0.00 C ATOM 491 O ALA B 14 2.916 -7.752 -2.195 1.00 0.00 O ATOM 492 CB ALA B 14 2.908 -4.922 -3.601 1.00 0.00 C ATOM 0 H ALA B 14 1.572 -5.739 -5.593 1.00 0.00 H new ATOM 0 HA ALA B 14 4.045 -6.629 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.414 -4.862 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.385 -4.240 -4.305 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.861 -4.644 -3.479 1.00 0.00 H new ATOM 498 N LEU B 15 1.081 -7.642 -3.397 1.00 0.00 N ATOM 499 CA LEU B 15 0.378 -8.581 -2.480 1.00 0.00 C ATOM 500 C LEU B 15 0.472 -9.992 -3.052 1.00 0.00 C ATOM 501 O LEU B 15 0.561 -10.969 -2.333 1.00 0.00 O ATOM 502 CB LEU B 15 -1.090 -8.174 -2.351 1.00 0.00 C ATOM 503 CG LEU B 15 -1.205 -6.977 -1.407 1.00 0.00 C ATOM 504 CD1 LEU B 15 -2.494 -6.211 -1.709 1.00 0.00 C ATOM 505 CD2 LEU B 15 -1.234 -7.472 0.041 1.00 0.00 C ATOM 0 H LEU B 15 0.528 -7.305 -4.185 1.00 0.00 H new ATOM 0 HA LEU B 15 0.842 -8.550 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.495 -7.919 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.678 -9.009 -1.970 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.349 -6.318 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.576 -5.358 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.475 -5.859 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.351 -6.870 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.316 -6.620 0.715 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.091 -8.131 0.183 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.316 -8.019 0.257 1.00 0.00 H new ATOM 517 N TYR B 16 0.466 -10.096 -4.346 1.00 0.00 N ATOM 518 CA TYR B 16 0.568 -11.427 -5.000 1.00 0.00 C ATOM 519 C TYR B 16 2.011 -11.923 -4.873 1.00 0.00 C ATOM 520 O TYR B 16 2.289 -13.099 -4.993 1.00 0.00 O ATOM 521 CB TYR B 16 0.170 -11.277 -6.478 1.00 0.00 C ATOM 522 CG TYR B 16 0.848 -12.328 -7.330 1.00 0.00 C ATOM 523 CD1 TYR B 16 0.546 -13.684 -7.151 1.00 0.00 C ATOM 524 CD2 TYR B 16 1.778 -11.941 -8.306 1.00 0.00 C ATOM 525 CE1 TYR B 16 1.173 -14.653 -7.947 1.00 0.00 C ATOM 526 CE2 TYR B 16 2.405 -12.909 -9.100 1.00 0.00 C ATOM 527 CZ TYR B 16 2.103 -14.265 -8.921 1.00 0.00 C ATOM 528 OH TYR B 16 2.719 -15.217 -9.708 1.00 0.00 O ATOM 0 H TYR B 16 0.394 -9.307 -4.988 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.097 -12.150 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -0.912 -11.365 -6.578 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.443 -10.283 -6.833 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.170 -13.983 -6.400 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.011 -10.896 -8.445 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.939 -15.698 -7.810 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.122 -12.610 -9.851 1.00 0.00 H new ATOM 0 HH TYR B 16 3.334 -14.778 -10.332 1.00 0.00 H new ATOM 538 N LEU B 17 2.929 -11.028 -4.626 1.00 0.00 N ATOM 539 CA LEU B 17 4.354 -11.437 -4.489 1.00 0.00 C ATOM 540 C LEU B 17 4.728 -11.505 -3.006 1.00 0.00 C ATOM 541 O LEU B 17 5.568 -12.284 -2.602 1.00 0.00 O ATOM 542 CB LEU B 17 5.241 -10.413 -5.199 1.00 0.00 C ATOM 543 CG LEU B 17 6.711 -10.736 -4.939 1.00 0.00 C ATOM 544 CD1 LEU B 17 7.302 -11.428 -6.168 1.00 0.00 C ATOM 545 CD2 LEU B 17 7.473 -9.437 -4.664 1.00 0.00 C ATOM 0 H LEU B 17 2.752 -10.030 -4.513 1.00 0.00 H new ATOM 0 HA LEU B 17 4.499 -12.419 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.040 -10.425 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.011 -9.409 -4.842 1.00 0.00 H new ATOM 0 HG LEU B 17 6.796 -11.396 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.351 -11.660 -5.986 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.755 -12.350 -6.364 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.221 -10.768 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.523 -9.663 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.392 -8.778 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.048 -8.944 -3.790 1.00 0.00 H new ATOM 557 N VAL B 18 4.106 -10.699 -2.195 1.00 0.00 N ATOM 558 CA VAL B 18 4.418 -10.718 -0.736 1.00 0.00 C ATOM 559 C VAL B 18 3.906 -12.025 -0.134 1.00 0.00 C ATOM 560 O VAL B 18 4.572 -12.674 0.648 1.00 0.00 O ATOM 561 CB VAL B 18 3.731 -9.523 -0.050 1.00 0.00 C ATOM 562 CG1 VAL B 18 3.508 -9.818 1.437 1.00 0.00 C ATOM 563 CG2 VAL B 18 4.614 -8.279 -0.178 1.00 0.00 C ATOM 0 H VAL B 18 3.394 -10.026 -2.477 1.00 0.00 H new ATOM 0 HA VAL B 18 5.495 -10.645 -0.586 1.00 0.00 H new ATOM 0 HB VAL B 18 2.769 -9.352 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.022 -8.964 1.908 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.876 -10.700 1.542 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.468 -10.001 1.920 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.126 -7.435 0.308 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.576 -8.465 0.299 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.770 -8.050 -1.232 1.00 0.00 H new ATOM 573 N CYS B 19 2.717 -12.401 -0.489 1.00 0.00 N ATOM 574 CA CYS B 19 2.123 -13.654 0.056 1.00 0.00 C ATOM 575 C CYS B 19 2.206 -14.760 -0.998 1.00 0.00 C ATOM 576 O CYS B 19 2.869 -15.761 -0.810 1.00 0.00 O ATOM 577 CB CYS B 19 0.656 -13.403 0.428 1.00 0.00 C ATOM 578 SG CYS B 19 0.458 -11.694 1.006 1.00 0.00 S ATOM 0 H CYS B 19 2.121 -11.891 -1.141 1.00 0.00 H new ATOM 0 HA CYS B 19 2.674 -13.962 0.945 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.016 -13.582 -0.436 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.343 -14.099 1.206 1.00 0.00 H new ATOM 583 N GLY B 20 1.538 -14.590 -2.105 1.00 0.00 N ATOM 584 CA GLY B 20 1.580 -15.633 -3.169 1.00 0.00 C ATOM 585 C GLY B 20 0.504 -16.684 -2.895 1.00 0.00 C ATOM 586 O GLY B 20 -0.662 -16.478 -3.168 1.00 0.00 O ATOM 0 H GLY B 20 0.965 -13.774 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.418 -15.178 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.564 -16.102 -3.195 1.00 0.00 H new ATOM 590 N GLU B 21 0.884 -17.809 -2.354 1.00 0.00 N ATOM 591 CA GLU B 21 -0.118 -18.872 -2.062 1.00 0.00 C ATOM 592 C GLU B 21 -0.155 -19.136 -0.556 1.00 0.00 C ATOM 593 O GLU B 21 0.845 -19.458 0.055 1.00 0.00 O ATOM 594 CB GLU B 21 0.268 -20.155 -2.799 1.00 0.00 C ATOM 595 CG GLU B 21 -0.958 -21.060 -2.925 1.00 0.00 C ATOM 596 CD GLU B 21 -0.724 -22.351 -2.139 1.00 0.00 C ATOM 597 OE1 GLU B 21 -0.967 -22.344 -0.943 1.00 0.00 O ATOM 598 OE2 GLU B 21 -0.305 -23.323 -2.745 1.00 0.00 O ATOM 0 H GLU B 21 1.845 -18.038 -2.102 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.103 -18.546 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.659 -19.915 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.061 -20.672 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -1.842 -20.547 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -1.147 -21.290 -3.974 1.00 0.00 H new ATOM 605 N ARG B 22 -1.303 -18.994 0.046 1.00 0.00 N ATOM 606 CA ARG B 22 -1.414 -19.226 1.513 1.00 0.00 C ATOM 607 C ARG B 22 -2.745 -18.661 2.008 1.00 0.00 C ATOM 608 O ARG B 22 -3.360 -19.186 2.914 1.00 0.00 O ATOM 609 CB ARG B 22 -0.265 -18.514 2.228 1.00 0.00 C ATOM 610 CG ARG B 22 0.713 -19.548 2.789 1.00 0.00 C ATOM 611 CD ARG B 22 2.112 -18.936 2.859 1.00 0.00 C ATOM 612 NE ARG B 22 2.784 -19.370 4.115 1.00 0.00 N ATOM 613 CZ ARG B 22 3.514 -20.451 4.124 1.00 0.00 C ATOM 614 NH1 ARG B 22 4.569 -20.533 3.361 1.00 0.00 N ATOM 615 NH2 ARG B 22 3.189 -21.453 4.896 1.00 0.00 N ATOM 0 H ARG B 22 -2.172 -18.726 -0.417 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.366 -20.295 1.722 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.251 -17.850 1.535 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.655 -17.893 3.034 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.393 -19.867 3.781 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.723 -20.436 2.157 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.699 -19.246 1.995 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.046 -17.848 2.827 1.00 0.00 H new ATOM 0 HE ARG B 22 2.673 -18.822 4.968 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.823 -19.752 2.757 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.139 -21.379 3.369 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.364 -21.391 5.492 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.760 -22.298 4.903 1.00 0.00 H new ATOM 629 N GLY B 23 -3.188 -17.586 1.418 1.00 0.00 N ATOM 630 CA GLY B 23 -4.475 -16.973 1.845 1.00 0.00 C ATOM 631 C GLY B 23 -4.364 -15.454 1.720 1.00 0.00 C ATOM 632 O GLY B 23 -4.497 -14.727 2.684 1.00 0.00 O ATOM 0 H GLY B 23 -2.712 -17.104 0.656 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -5.293 -17.344 1.227 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.702 -17.251 2.874 1.00 0.00 H new ATOM 636 N PHE B 24 -4.111 -14.974 0.535 1.00 0.00 N ATOM 637 CA PHE B 24 -3.974 -13.508 0.332 1.00 0.00 C ATOM 638 C PHE B 24 -5.333 -12.913 -0.063 1.00 0.00 C ATOM 639 O PHE B 24 -5.969 -13.354 -1.001 1.00 0.00 O ATOM 640 CB PHE B 24 -2.932 -13.261 -0.773 1.00 0.00 C ATOM 641 CG PHE B 24 -3.224 -11.969 -1.504 1.00 0.00 C ATOM 642 CD1 PHE B 24 -3.571 -10.817 -0.786 1.00 0.00 C ATOM 643 CD2 PHE B 24 -3.159 -11.932 -2.902 1.00 0.00 C ATOM 644 CE1 PHE B 24 -3.849 -9.626 -1.468 1.00 0.00 C ATOM 645 CE2 PHE B 24 -3.439 -10.741 -3.584 1.00 0.00 C ATOM 646 CZ PHE B 24 -3.784 -9.588 -2.867 1.00 0.00 C ATOM 0 H PHE B 24 -3.993 -15.539 -0.306 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.644 -13.027 1.253 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.934 -13.220 -0.336 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.938 -14.093 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.624 -10.848 0.292 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.893 -12.821 -3.454 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.114 -8.737 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.389 -10.712 -4.662 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.000 -8.670 -3.393 1.00 0.00 H new ATOM 656 N PHE B 25 -5.773 -11.906 0.643 1.00 0.00 N ATOM 657 CA PHE B 25 -7.078 -11.267 0.315 1.00 0.00 C ATOM 658 C PHE B 25 -7.120 -9.870 0.941 1.00 0.00 C ATOM 659 O PHE B 25 -6.539 -9.632 1.981 1.00 0.00 O ATOM 660 CB PHE B 25 -8.222 -12.115 0.873 1.00 0.00 C ATOM 661 CG PHE B 25 -9.354 -12.146 -0.125 1.00 0.00 C ATOM 662 CD1 PHE B 25 -9.268 -12.968 -1.257 1.00 0.00 C ATOM 663 CD2 PHE B 25 -10.490 -11.351 0.078 1.00 0.00 C ATOM 664 CE1 PHE B 25 -10.318 -12.995 -2.185 1.00 0.00 C ATOM 665 CE2 PHE B 25 -11.540 -11.378 -0.851 1.00 0.00 C ATOM 666 CZ PHE B 25 -11.453 -12.200 -1.982 1.00 0.00 C ATOM 0 H PHE B 25 -5.281 -11.497 1.437 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.188 -11.190 -0.767 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.874 -13.128 1.076 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.568 -11.701 1.820 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.393 -13.581 -1.414 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.557 -10.717 0.950 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.252 -13.629 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -12.416 -10.765 -0.695 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.262 -12.221 -2.698 1.00 0.00 H new ATOM 676 N TYR B 26 -7.799 -8.941 0.323 1.00 0.00 N ATOM 677 CA TYR B 26 -7.860 -7.568 0.901 1.00 0.00 C ATOM 678 C TYR B 26 -9.062 -6.809 0.323 1.00 0.00 C ATOM 679 O TYR B 26 -9.781 -7.310 -0.518 1.00 0.00 O ATOM 680 CB TYR B 26 -6.561 -6.818 0.572 1.00 0.00 C ATOM 681 CG TYR B 26 -6.599 -6.314 -0.854 1.00 0.00 C ATOM 682 CD1 TYR B 26 -6.254 -7.167 -1.911 1.00 0.00 C ATOM 683 CD2 TYR B 26 -6.979 -4.991 -1.116 1.00 0.00 C ATOM 684 CE1 TYR B 26 -6.293 -6.696 -3.231 1.00 0.00 C ATOM 685 CE2 TYR B 26 -7.016 -4.520 -2.434 1.00 0.00 C ATOM 686 CZ TYR B 26 -6.672 -5.373 -3.492 1.00 0.00 C ATOM 687 OH TYR B 26 -6.708 -4.909 -4.792 1.00 0.00 O ATOM 0 H TYR B 26 -8.310 -9.072 -0.550 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.974 -7.637 1.983 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.431 -5.981 1.258 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.705 -7.479 0.710 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.958 -8.186 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.244 -4.334 -0.301 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.031 -7.353 -4.047 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.309 -3.500 -2.635 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.992 -3.971 -4.797 1.00 0.00 H new ATOM 697 N THR B 27 -9.278 -5.601 0.772 1.00 0.00 N ATOM 698 CA THR B 27 -10.427 -4.803 0.253 1.00 0.00 C ATOM 699 C THR B 27 -9.994 -4.057 -1.012 1.00 0.00 C ATOM 700 O THR B 27 -9.211 -3.130 -0.958 1.00 0.00 O ATOM 701 CB THR B 27 -10.867 -3.790 1.311 1.00 0.00 C ATOM 702 OG1 THR B 27 -10.385 -4.201 2.583 1.00 0.00 O ATOM 703 CG2 THR B 27 -12.394 -3.707 1.345 1.00 0.00 C ATOM 0 H THR B 27 -8.708 -5.132 1.476 1.00 0.00 H new ATOM 0 HA THR B 27 -11.257 -5.470 0.021 1.00 0.00 H new ATOM 0 HB THR B 27 -10.461 -2.809 1.064 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.664 -3.553 3.263 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.702 -2.984 2.100 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.763 -3.392 0.369 1.00 0.00 H new ATOM 0 HG23 THR B 27 -12.806 -4.686 1.590 1.00 0.00 H new ATOM 711 N LYS B 28 -10.488 -4.459 -2.151 1.00 0.00 N ATOM 712 CA LYS B 28 -10.092 -3.774 -3.414 1.00 0.00 C ATOM 713 C LYS B 28 -10.983 -2.539 -3.651 1.00 0.00 C ATOM 714 O LYS B 28 -10.478 -1.445 -3.813 1.00 0.00 O ATOM 715 CB LYS B 28 -10.199 -4.770 -4.586 1.00 0.00 C ATOM 716 CG LYS B 28 -10.620 -4.054 -5.877 1.00 0.00 C ATOM 717 CD LYS B 28 -10.238 -4.910 -7.085 1.00 0.00 C ATOM 718 CE LYS B 28 -11.085 -4.498 -8.293 1.00 0.00 C ATOM 719 NZ LYS B 28 -11.355 -3.032 -8.235 1.00 0.00 N ATOM 0 H LYS B 28 -11.147 -5.230 -2.262 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.060 -3.430 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.240 -5.265 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.924 -5.547 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.695 -3.874 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.134 -3.080 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.179 -4.786 -7.311 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -10.395 -5.965 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.564 -4.746 -9.218 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.024 -5.052 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.636 -2.693 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.122 -2.847 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.495 -2.532 -7.930 1.00 0.00 H new ATOM 733 N PRO B 29 -12.278 -2.747 -3.680 1.00 0.00 N ATOM 734 CA PRO B 29 -13.250 -1.661 -3.912 1.00 0.00 C ATOM 735 C PRO B 29 -13.464 -0.835 -2.641 1.00 0.00 C ATOM 736 O PRO B 29 -14.309 0.037 -2.596 1.00 0.00 O ATOM 737 CB PRO B 29 -14.531 -2.403 -4.295 1.00 0.00 C ATOM 738 CG PRO B 29 -14.398 -3.830 -3.716 1.00 0.00 C ATOM 739 CD PRO B 29 -12.895 -4.074 -3.486 1.00 0.00 C ATOM 0 HA PRO B 29 -12.920 -0.956 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.408 -1.899 -3.889 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.654 -2.433 -5.378 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.953 -3.922 -2.782 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -14.809 -4.568 -4.405 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.703 -4.460 -2.485 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.498 -4.805 -4.191 1.00 0.00 H new ATOM 747 N THR B 30 -12.710 -1.099 -1.610 1.00 0.00 N ATOM 748 CA THR B 30 -12.881 -0.322 -0.349 1.00 0.00 C ATOM 749 C THR B 30 -14.342 -0.388 0.098 1.00 0.00 C ATOM 750 O THR B 30 -14.897 0.656 0.396 1.00 0.00 O ATOM 751 CB THR B 30 -12.490 1.139 -0.591 1.00 0.00 C ATOM 752 OG1 THR B 30 -13.540 1.799 -1.284 1.00 0.00 O ATOM 753 CG2 THR B 30 -11.209 1.199 -1.424 1.00 0.00 C ATOM 754 OXT THR B 30 -14.881 -1.482 0.134 1.00 0.00 O ATOM 0 H THR B 30 -11.985 -1.816 -1.585 1.00 0.00 H new ATOM 0 HA THR B 30 -12.243 -0.747 0.426 1.00 0.00 H new ATOM 0 HB THR B 30 -12.319 1.632 0.366 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.182 1.136 -1.613 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.934 2.240 -1.594 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.404 0.694 -0.890 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.375 0.706 -2.382 1.00 0.00 H new TER 762 THR B 30