USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 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 NoAdj-H: A 3 ABA H : A 3 ABA N : A 2 ILE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0987 X(o=-0.099,f=-0.51) USER MOD Single : A 8 THR OG1 : rot -106:sc= 0.83 USER MOD Single : A 9 SER OG : rot -41:sc= 0.669! USER MOD Single : A 12 SER OG : rot 180:sc= -2.7! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.6) USER MOD Single : A 18 ASN : amide:sc= -11! C(o=-11!,f=-20!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.742 X(o=-0.74,f=-1.2) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.455 K(o=-0.46,f=-3.2!) USER MOD Single : B 4 GLN :FLIP amide:sc=-0.00703 F(o=-0.74,f=-0.007) USER MOD Single : B 5 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc=-0.00547 USER MOD Single : B 28 LYS NZ :NH3+ -128:sc= -0.544 (180deg=-2.18!) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.425 -5.347 10.749 1.00 0.00 N ATOM 2 CA GLY A 1 -0.275 -4.919 9.458 1.00 0.00 C ATOM 3 C GLY A 1 0.543 -4.630 8.244 1.00 0.00 C ATOM 4 O GLY A 1 1.755 -4.700 8.270 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.285 -5.508 11.492 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.956 -6.226 10.581 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.081 -4.599 11.053 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.985 -5.703 9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.856 -4.024 9.682 1.00 0.00 H new ATOM 10 N ILE A 2 -0.093 -4.301 7.152 1.00 0.00 N ATOM 11 CA ILE A 2 0.668 -4.003 5.906 1.00 0.00 C ATOM 12 C ILE A 2 1.795 -3.016 6.216 1.00 0.00 C ATOM 13 O ILE A 2 2.849 -3.053 5.620 1.00 0.00 O ATOM 14 CB ILE A 2 -0.278 -3.400 4.863 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.536 -2.801 3.716 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.122 -2.301 5.509 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.412 -2.329 2.613 1.00 0.00 C ATOM 0 H ILE A 2 -1.107 -4.226 7.070 1.00 0.00 H new ATOM 0 HA ILE A 2 1.098 -4.924 5.513 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.931 -4.183 4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.135 -1.965 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.230 -3.543 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.794 -1.874 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.707 -2.724 6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.468 -1.521 5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.167 -1.902 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.992 -3.175 2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.088 -1.573 3.013 1.00 0.00 H new HETATM 29 N ABA A 3 1.575 -2.135 7.145 1.00 0.00 N HETATM 30 CA ABA A 3 2.614 -1.140 7.509 1.00 0.00 C HETATM 31 C ABA A 3 3.971 -1.826 7.679 1.00 0.00 C HETATM 32 O ABA A 3 4.707 -1.972 6.736 1.00 0.00 O HETATM 33 CB ABA A 3 2.216 -0.466 8.820 1.00 0.00 C HETATM 34 CG ABA A 3 1.268 0.701 8.536 1.00 0.00 C HETATM 0 HN2 ABA A 3 0.612 -1.835 6.996 1.00 0.00 H new HETATM 0 HG3 ABA A 3 0.373 0.330 8.036 1.00 0.00 H new HETATM 0 HG2 ABA A 3 1.767 1.427 7.895 1.00 0.00 H new HETATM 0 HG1 ABA A 3 0.987 1.178 9.475 1.00 0.00 H new HETATM 0 HB3 ABA A 3 3.105 -0.107 9.339 1.00 0.00 H new HETATM 0 HB2 ABA A 3 1.732 -1.188 9.478 1.00 0.00 H new HETATM 0 HA ABA A 3 2.695 -0.398 6.715 1.00 0.00 H new ATOM 42 N GLU A 4 4.298 -2.226 8.883 1.00 0.00 N ATOM 43 CA GLU A 4 5.617 -2.890 9.162 1.00 0.00 C ATOM 44 C GLU A 4 6.196 -3.544 7.905 1.00 0.00 C ATOM 45 O GLU A 4 7.366 -3.407 7.609 1.00 0.00 O ATOM 46 CB GLU A 4 5.416 -3.962 10.228 1.00 0.00 C ATOM 47 CG GLU A 4 6.426 -3.754 11.356 1.00 0.00 C ATOM 48 CD GLU A 4 5.747 -4.012 12.703 1.00 0.00 C ATOM 49 OE1 GLU A 4 4.593 -3.642 12.842 1.00 0.00 O ATOM 50 OE2 GLU A 4 6.393 -4.575 13.572 1.00 0.00 O ATOM 0 H GLU A 4 3.698 -2.120 9.701 1.00 0.00 H new ATOM 0 HA GLU A 4 6.317 -2.127 9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.401 -3.913 10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.542 -4.953 9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.273 -4.428 11.229 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.819 -2.738 11.324 1.00 0.00 H new ATOM 57 N GLN A 5 5.393 -4.248 7.161 1.00 0.00 N ATOM 58 CA GLN A 5 5.912 -4.898 5.926 1.00 0.00 C ATOM 59 C GLN A 5 6.027 -3.852 4.814 1.00 0.00 C ATOM 60 O GLN A 5 7.087 -3.610 4.278 1.00 0.00 O ATOM 61 CB GLN A 5 4.946 -6.002 5.491 1.00 0.00 C ATOM 62 CG GLN A 5 5.735 -7.188 4.931 1.00 0.00 C ATOM 63 CD GLN A 5 5.361 -8.458 5.701 1.00 0.00 C ATOM 64 OE1 GLN A 5 5.242 -8.435 6.910 1.00 0.00 O ATOM 65 NE2 GLN A 5 5.170 -9.572 5.047 1.00 0.00 N ATOM 0 H GLN A 5 4.403 -4.402 7.352 1.00 0.00 H new ATOM 0 HA GLN A 5 6.893 -5.330 6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.341 -6.323 6.339 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.259 -5.621 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.517 -7.315 3.871 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.805 -7.000 5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.270 -9.591 4.032 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.921 -10.423 5.551 1.00 0.00 H new ATOM 74 N CYS A 6 4.939 -3.229 4.469 1.00 0.00 N ATOM 75 CA CYS A 6 4.964 -2.198 3.390 1.00 0.00 C ATOM 76 C CYS A 6 5.505 -0.869 3.906 1.00 0.00 C ATOM 77 O CYS A 6 5.577 0.096 3.187 1.00 0.00 O ATOM 78 CB CYS A 6 3.546 -1.984 2.855 1.00 0.00 C ATOM 79 SG CYS A 6 3.412 -2.790 1.256 1.00 0.00 S ATOM 0 H CYS A 6 4.024 -3.389 4.890 1.00 0.00 H new ATOM 0 HA CYS A 6 5.620 -2.556 2.596 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.813 -2.396 3.549 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.333 -0.919 2.761 1.00 0.00 H new ATOM 84 N CYS A 7 5.882 -0.796 5.135 1.00 0.00 N ATOM 85 CA CYS A 7 6.404 0.487 5.662 1.00 0.00 C ATOM 86 C CYS A 7 7.877 0.307 6.025 1.00 0.00 C ATOM 87 O CYS A 7 8.611 1.263 6.181 1.00 0.00 O ATOM 88 CB CYS A 7 5.599 0.868 6.901 1.00 0.00 C ATOM 89 SG CYS A 7 5.268 2.650 6.923 1.00 0.00 S ATOM 0 H CYS A 7 5.854 -1.566 5.804 1.00 0.00 H new ATOM 0 HA CYS A 7 6.313 1.276 4.916 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.658 0.318 6.914 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.147 0.583 7.799 1.00 0.00 H new ATOM 94 N THR A 8 8.317 -0.917 6.158 1.00 0.00 N ATOM 95 CA THR A 8 9.744 -1.159 6.507 1.00 0.00 C ATOM 96 C THR A 8 10.399 -2.054 5.447 1.00 0.00 C ATOM 97 O THR A 8 11.608 -2.106 5.336 1.00 0.00 O ATOM 98 CB THR A 8 9.827 -1.846 7.871 1.00 0.00 C ATOM 99 OG1 THR A 8 9.693 -3.249 7.701 1.00 0.00 O ATOM 100 CG2 THR A 8 8.705 -1.329 8.774 1.00 0.00 C ATOM 0 H THR A 8 7.750 -1.756 6.040 1.00 0.00 H new ATOM 0 HA THR A 8 10.268 -0.204 6.544 1.00 0.00 H new ATOM 0 HB THR A 8 10.790 -1.626 8.331 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.805 -3.532 8.004 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.765 -1.819 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.810 -0.252 8.904 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.740 -1.547 8.317 1.00 0.00 H new ATOM 108 N SER A 9 9.622 -2.758 4.664 1.00 0.00 N ATOM 109 CA SER A 9 10.236 -3.637 3.622 1.00 0.00 C ATOM 110 C SER A 9 9.960 -3.064 2.225 1.00 0.00 C ATOM 111 O SER A 9 10.542 -2.072 1.834 1.00 0.00 O ATOM 112 CB SER A 9 9.687 -5.069 3.739 1.00 0.00 C ATOM 113 OG SER A 9 8.378 -5.137 3.190 1.00 0.00 O ATOM 0 H SER A 9 8.603 -2.764 4.699 1.00 0.00 H new ATOM 0 HA SER A 9 11.314 -3.671 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.345 -5.763 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.667 -5.375 4.785 1.00 0.00 H new ATOM 0 HG SER A 9 7.873 -4.338 3.448 1.00 0.00 H new ATOM 119 N ILE A 10 9.098 -3.675 1.457 1.00 0.00 N ATOM 120 CA ILE A 10 8.830 -3.149 0.093 1.00 0.00 C ATOM 121 C ILE A 10 7.424 -3.563 -0.368 1.00 0.00 C ATOM 122 O ILE A 10 6.772 -4.383 0.248 1.00 0.00 O ATOM 123 CB ILE A 10 9.897 -3.711 -0.859 1.00 0.00 C ATOM 124 CG1 ILE A 10 11.096 -2.766 -0.876 1.00 0.00 C ATOM 125 CG2 ILE A 10 9.337 -3.850 -2.274 1.00 0.00 C ATOM 126 CD1 ILE A 10 12.212 -3.331 0.003 1.00 0.00 C ATOM 0 H ILE A 10 8.572 -4.510 1.715 1.00 0.00 H new ATOM 0 HA ILE A 10 8.874 -2.060 0.095 1.00 0.00 H new ATOM 0 HB ILE A 10 10.201 -4.697 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.455 -2.637 -1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.800 -1.781 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.108 -4.249 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.483 -4.527 -2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.020 -2.873 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.066 -2.653 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.851 -3.437 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.516 -4.306 -0.377 1.00 0.00 H new ATOM 138 N CYS A 11 6.960 -2.996 -1.455 1.00 0.00 N ATOM 139 CA CYS A 11 5.602 -3.352 -1.965 1.00 0.00 C ATOM 140 C CYS A 11 5.571 -3.332 -3.487 1.00 0.00 C ATOM 141 O CYS A 11 6.387 -2.711 -4.138 1.00 0.00 O ATOM 142 CB CYS A 11 4.589 -2.334 -1.467 1.00 0.00 C ATOM 143 SG CYS A 11 4.942 -1.949 0.250 1.00 0.00 S ATOM 0 H CYS A 11 7.463 -2.303 -2.009 1.00 0.00 H new ATOM 0 HA CYS A 11 5.360 -4.352 -1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.636 -1.429 -2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.578 -2.730 -1.564 1.00 0.00 H new ATOM 148 N SER A 12 4.593 -3.977 -4.049 1.00 0.00 N ATOM 149 CA SER A 12 4.437 -3.978 -5.523 1.00 0.00 C ATOM 150 C SER A 12 3.074 -3.388 -5.852 1.00 0.00 C ATOM 151 O SER A 12 2.136 -3.485 -5.086 1.00 0.00 O ATOM 152 CB SER A 12 4.554 -5.394 -6.085 1.00 0.00 C ATOM 153 OG SER A 12 4.361 -6.342 -5.045 1.00 0.00 O ATOM 0 H SER A 12 3.886 -4.510 -3.542 1.00 0.00 H new ATOM 0 HA SER A 12 5.228 -3.382 -5.978 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.813 -5.546 -6.870 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.534 -5.535 -6.540 1.00 0.00 H new ATOM 0 HG SER A 12 4.435 -7.248 -5.411 1.00 0.00 H new ATOM 159 N LEU A 13 2.975 -2.749 -6.970 1.00 0.00 N ATOM 160 CA LEU A 13 1.691 -2.105 -7.360 1.00 0.00 C ATOM 161 C LEU A 13 0.553 -3.124 -7.399 1.00 0.00 C ATOM 162 O LEU A 13 -0.606 -2.762 -7.444 1.00 0.00 O ATOM 163 CB LEU A 13 1.852 -1.479 -8.741 1.00 0.00 C ATOM 164 CG LEU A 13 2.254 -2.573 -9.723 1.00 0.00 C ATOM 165 CD1 LEU A 13 1.620 -2.303 -11.083 1.00 0.00 C ATOM 166 CD2 LEU A 13 3.775 -2.601 -9.869 1.00 0.00 C ATOM 0 H LEU A 13 3.733 -2.640 -7.643 1.00 0.00 H new ATOM 0 HA LEU A 13 1.444 -1.343 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.919 -1.011 -9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.609 -0.695 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 13 1.907 -3.535 -9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.910 -3.088 -11.782 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.535 -2.290 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.961 -1.338 -11.458 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.059 -3.384 -10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.123 -1.637 -10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.230 -2.802 -8.899 1.00 0.00 H new ATOM 178 N TYR A 14 0.848 -4.389 -7.356 1.00 0.00 N ATOM 179 CA TYR A 14 -0.256 -5.377 -7.375 1.00 0.00 C ATOM 180 C TYR A 14 -0.422 -5.872 -5.965 1.00 0.00 C ATOM 181 O TYR A 14 -1.508 -6.151 -5.497 1.00 0.00 O ATOM 182 CB TYR A 14 0.093 -6.530 -8.319 1.00 0.00 C ATOM 183 CG TYR A 14 -0.903 -7.652 -8.150 1.00 0.00 C ATOM 184 CD1 TYR A 14 -2.135 -7.599 -8.814 1.00 0.00 C ATOM 185 CD2 TYR A 14 -0.594 -8.746 -7.331 1.00 0.00 C ATOM 186 CE1 TYR A 14 -3.059 -8.642 -8.661 1.00 0.00 C ATOM 187 CE2 TYR A 14 -1.518 -9.789 -7.178 1.00 0.00 C ATOM 188 CZ TYR A 14 -2.750 -9.737 -7.843 1.00 0.00 C ATOM 189 OH TYR A 14 -3.659 -10.765 -7.692 1.00 0.00 O ATOM 0 H TYR A 14 1.790 -4.776 -7.309 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.183 -4.930 -7.734 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.088 -6.180 -9.351 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.100 -6.891 -8.109 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.373 -6.755 -9.444 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.355 -8.786 -6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.009 -8.602 -9.173 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.280 -10.633 -6.547 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.287 -11.445 -7.093 1.00 0.00 H new ATOM 199 N GLN A 15 0.660 -5.924 -5.273 1.00 0.00 N ATOM 200 CA GLN A 15 0.617 -6.329 -3.867 1.00 0.00 C ATOM 201 C GLN A 15 -0.161 -5.256 -3.127 1.00 0.00 C ATOM 202 O GLN A 15 -0.938 -5.522 -2.231 1.00 0.00 O ATOM 203 CB GLN A 15 2.043 -6.378 -3.364 1.00 0.00 C ATOM 204 CG GLN A 15 2.523 -7.824 -3.332 1.00 0.00 C ATOM 205 CD GLN A 15 1.672 -8.622 -2.342 1.00 0.00 C ATOM 206 OE1 GLN A 15 0.892 -9.465 -2.737 1.00 0.00 O ATOM 207 NE2 GLN A 15 1.787 -8.387 -1.063 1.00 0.00 N ATOM 0 H GLN A 15 1.589 -5.699 -5.630 1.00 0.00 H new ATOM 0 HA GLN A 15 0.147 -7.302 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.688 -5.784 -4.011 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.103 -5.942 -2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.452 -8.264 -4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.573 -7.864 -3.040 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.442 -7.679 -0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.222 -8.911 -0.395 1.00 0.00 H new ATOM 216 N LEU A 16 0.016 -4.034 -3.536 1.00 0.00 N ATOM 217 CA LEU A 16 -0.725 -2.933 -2.903 1.00 0.00 C ATOM 218 C LEU A 16 -2.110 -2.906 -3.521 1.00 0.00 C ATOM 219 O LEU A 16 -3.059 -2.406 -2.950 1.00 0.00 O ATOM 220 CB LEU A 16 0.017 -1.633 -3.180 1.00 0.00 C ATOM 221 CG LEU A 16 1.386 -1.705 -2.499 1.00 0.00 C ATOM 222 CD1 LEU A 16 2.054 -0.337 -2.526 1.00 0.00 C ATOM 223 CD2 LEU A 16 1.208 -2.164 -1.050 1.00 0.00 C ATOM 0 H LEU A 16 0.648 -3.757 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.808 -3.063 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.134 -1.484 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.551 -0.784 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 16 2.016 -2.416 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.027 -0.398 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.184 -0.016 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.429 0.384 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.182 -2.216 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.574 -1.454 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.742 -3.149 -1.035 1.00 0.00 H new ATOM 235 N GLU A 17 -2.225 -3.464 -4.691 1.00 0.00 N ATOM 236 CA GLU A 17 -3.532 -3.506 -5.369 1.00 0.00 C ATOM 237 C GLU A 17 -4.464 -4.461 -4.620 1.00 0.00 C ATOM 238 O GLU A 17 -5.671 -4.335 -4.687 1.00 0.00 O ATOM 239 CB GLU A 17 -3.326 -4.007 -6.797 1.00 0.00 C ATOM 240 CG GLU A 17 -4.670 -4.040 -7.526 1.00 0.00 C ATOM 241 CD GLU A 17 -5.220 -5.469 -7.519 1.00 0.00 C ATOM 242 OE1 GLU A 17 -4.471 -6.372 -7.855 1.00 0.00 O ATOM 243 OE2 GLU A 17 -6.379 -5.635 -7.177 1.00 0.00 O ATOM 0 H GLU A 17 -1.457 -3.895 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.977 -2.511 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.630 -3.355 -7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.883 -5.003 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.375 -3.365 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.548 -3.691 -8.551 1.00 0.00 H new ATOM 250 N ASN A 18 -3.927 -5.417 -3.903 1.00 0.00 N ATOM 251 CA ASN A 18 -4.835 -6.358 -3.175 1.00 0.00 C ATOM 252 C ASN A 18 -5.323 -5.707 -1.885 1.00 0.00 C ATOM 253 O ASN A 18 -6.158 -6.245 -1.186 1.00 0.00 O ATOM 254 CB ASN A 18 -4.121 -7.672 -2.847 1.00 0.00 C ATOM 255 CG ASN A 18 -2.654 -7.404 -2.544 1.00 0.00 C ATOM 256 OD1 ASN A 18 -1.861 -7.257 -3.448 1.00 0.00 O ATOM 257 ND2 ASN A 18 -2.256 -7.335 -1.302 1.00 0.00 N ATOM 0 H ASN A 18 -2.927 -5.585 -3.791 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.684 -6.580 -3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.597 -8.150 -1.991 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.208 -8.362 -3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.274 -7.157 -1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.927 -7.459 -0.544 1.00 0.00 H new ATOM 264 N TYR A 19 -4.820 -4.549 -1.563 1.00 0.00 N ATOM 265 CA TYR A 19 -5.276 -3.873 -0.320 1.00 0.00 C ATOM 266 C TYR A 19 -6.406 -2.900 -0.663 1.00 0.00 C ATOM 267 O TYR A 19 -6.810 -2.092 0.149 1.00 0.00 O ATOM 268 CB TYR A 19 -4.110 -3.110 0.315 1.00 0.00 C ATOM 269 CG TYR A 19 -3.180 -4.089 0.991 1.00 0.00 C ATOM 270 CD1 TYR A 19 -3.428 -4.492 2.310 1.00 0.00 C ATOM 271 CD2 TYR A 19 -2.071 -4.597 0.301 1.00 0.00 C ATOM 272 CE1 TYR A 19 -2.568 -5.401 2.939 1.00 0.00 C ATOM 273 CE2 TYR A 19 -1.210 -5.507 0.930 1.00 0.00 C ATOM 274 CZ TYR A 19 -1.459 -5.909 2.249 1.00 0.00 C ATOM 275 OH TYR A 19 -0.612 -6.805 2.870 1.00 0.00 O ATOM 0 H TYR A 19 -4.117 -4.045 -2.103 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.638 -4.618 0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.572 -2.547 -0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.485 -2.388 1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.283 -4.101 2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.880 -4.287 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.759 -5.710 3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.355 -5.898 0.398 1.00 0.00 H new ATOM 0 HH TYR A 19 0.105 -7.059 2.252 1.00 0.00 H new ATOM 285 N CYS A 20 -6.926 -2.974 -1.863 1.00 0.00 N ATOM 286 CA CYS A 20 -8.036 -2.054 -2.249 1.00 0.00 C ATOM 287 C CYS A 20 -9.374 -2.655 -1.815 1.00 0.00 C ATOM 288 O CYS A 20 -9.545 -3.858 -1.787 1.00 0.00 O ATOM 289 CB CYS A 20 -8.041 -1.852 -3.766 1.00 0.00 C ATOM 290 SG CYS A 20 -6.389 -1.363 -4.307 1.00 0.00 S ATOM 0 H CYS A 20 -6.631 -3.629 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 20 -7.889 -1.093 -1.757 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.343 -2.772 -4.266 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.768 -1.087 -4.040 1.00 0.00 H new ATOM 295 N ASN A 21 -10.325 -1.827 -1.483 1.00 0.00 N ATOM 296 CA ASN A 21 -11.653 -2.349 -1.059 1.00 0.00 C ATOM 297 C ASN A 21 -11.471 -3.349 0.086 1.00 0.00 C ATOM 298 O ASN A 21 -10.334 -3.654 0.406 1.00 0.00 O ATOM 299 CB ASN A 21 -12.319 -3.047 -2.244 1.00 0.00 C ATOM 300 CG ASN A 21 -13.541 -3.828 -1.759 1.00 0.00 C ATOM 301 OD1 ASN A 21 -13.453 -5.008 -1.485 1.00 0.00 O ATOM 302 ND2 ASN A 21 -14.686 -3.214 -1.640 1.00 0.00 N ATOM 303 OXT ASN A 21 -12.473 -3.791 0.624 1.00 0.00 O ATOM 0 H ASN A 21 -10.239 -0.811 -1.487 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.278 -1.523 -0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.618 -2.312 -2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.612 -3.722 -2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.508 -3.725 -1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.760 -2.223 -1.870 1.00 0.00 H new TER 310 ASN A 21 ATOM 311 N PHE B 1 6.751 1.322 -9.897 1.00 0.00 N ATOM 312 CA PHE B 1 7.340 0.261 -10.762 1.00 0.00 C ATOM 313 C PHE B 1 8.771 -0.030 -10.308 1.00 0.00 C ATOM 314 O PHE B 1 9.708 0.062 -11.076 1.00 0.00 O ATOM 315 CB PHE B 1 7.355 0.738 -12.216 1.00 0.00 C ATOM 316 CG PHE B 1 7.371 -0.457 -13.138 1.00 0.00 C ATOM 317 CD1 PHE B 1 6.206 -1.215 -13.319 1.00 0.00 C ATOM 318 CD2 PHE B 1 8.548 -0.809 -13.812 1.00 0.00 C ATOM 319 CE1 PHE B 1 6.218 -2.325 -14.174 1.00 0.00 C ATOM 320 CE2 PHE B 1 8.560 -1.920 -14.667 1.00 0.00 C ATOM 321 CZ PHE B 1 7.395 -2.677 -14.848 1.00 0.00 C ATOM 0 H1 PHE B 1 5.778 1.521 -10.205 1.00 0.00 H new ATOM 0 H2 PHE B 1 6.742 0.999 -8.909 1.00 0.00 H new ATOM 0 H3 PHE B 1 7.322 2.188 -9.973 1.00 0.00 H new ATOM 0 HA PHE B 1 6.741 -0.646 -10.683 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.478 1.354 -12.417 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.231 1.362 -12.396 1.00 0.00 H new ATOM 0 HD1 PHE B 1 5.299 -0.943 -12.799 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.446 -0.225 -13.673 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.320 -2.909 -14.314 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.467 -2.192 -15.186 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.404 -3.532 -15.507 1.00 0.00 H new ATOM 333 N VAL B 2 8.947 -0.379 -9.063 1.00 0.00 N ATOM 334 CA VAL B 2 10.320 -0.674 -8.560 1.00 0.00 C ATOM 335 C VAL B 2 10.223 -1.523 -7.290 1.00 0.00 C ATOM 336 O VAL B 2 9.192 -2.093 -6.992 1.00 0.00 O ATOM 337 CB VAL B 2 11.066 0.634 -8.249 1.00 0.00 C ATOM 338 CG1 VAL B 2 12.136 0.873 -9.315 1.00 0.00 C ATOM 339 CG2 VAL B 2 10.087 1.815 -8.240 1.00 0.00 C ATOM 0 H VAL B 2 8.202 -0.473 -8.373 1.00 0.00 H new ATOM 0 HA VAL B 2 10.870 -1.219 -9.327 1.00 0.00 H new ATOM 0 HB VAL B 2 11.532 0.551 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.666 1.800 -9.097 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.842 0.042 -9.315 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.664 0.947 -10.294 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.628 2.735 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.611 1.900 -9.217 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.325 1.650 -7.478 1.00 0.00 H new ATOM 349 N ASN B 3 11.288 -1.614 -6.540 1.00 0.00 N ATOM 350 CA ASN B 3 11.253 -2.429 -5.293 1.00 0.00 C ATOM 351 C ASN B 3 11.697 -1.564 -4.117 1.00 0.00 C ATOM 352 O ASN B 3 12.697 -1.825 -3.478 1.00 0.00 O ATOM 353 CB ASN B 3 12.200 -3.612 -5.437 1.00 0.00 C ATOM 354 CG ASN B 3 11.402 -4.916 -5.381 1.00 0.00 C ATOM 355 OD1 ASN B 3 10.194 -4.908 -5.504 1.00 0.00 O ATOM 356 ND2 ASN B 3 12.031 -6.046 -5.200 1.00 0.00 N ATOM 0 H ASN B 3 12.180 -1.160 -6.737 1.00 0.00 H new ATOM 0 HA ASN B 3 10.240 -2.793 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.741 -3.545 -6.381 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.944 -3.594 -4.641 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.508 -6.921 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN B 3 13.046 -6.054 -5.097 1.00 0.00 H new ATOM 363 N GLN B 4 10.967 -0.529 -3.841 1.00 0.00 N ATOM 364 CA GLN B 4 11.344 0.375 -2.719 1.00 0.00 C ATOM 365 C GLN B 4 10.371 0.200 -1.547 1.00 0.00 C ATOM 366 O GLN B 4 9.280 -0.323 -1.697 1.00 0.00 O ATOM 367 CB GLN B 4 11.308 1.821 -3.217 1.00 0.00 C ATOM 368 CG GLN B 4 11.570 2.776 -2.052 1.00 0.00 C ATOM 369 CD GLN B 4 11.599 4.216 -2.571 1.00 0.00 C ATOM 370 OE1 GLN B 4 12.150 4.471 -3.727 1.00 0.00 O flip ATOM 371 NE2 GLN B 4 11.114 5.118 -1.919 1.00 0.00 N flip ATOM 0 H GLN B 4 10.120 -0.265 -4.344 1.00 0.00 H new ATOM 0 HA GLN B 4 12.348 0.128 -2.373 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.058 1.966 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.338 2.037 -3.665 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.793 2.666 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.518 2.531 -1.573 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.683 4.920 -1.016 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.137 6.074 -2.274 1.00 0.00 H new ATOM 380 N HIS B 5 10.771 0.627 -0.375 1.00 0.00 N ATOM 381 CA HIS B 5 9.892 0.487 0.824 1.00 0.00 C ATOM 382 C HIS B 5 8.789 1.544 0.782 1.00 0.00 C ATOM 383 O HIS B 5 8.716 2.339 -0.134 1.00 0.00 O ATOM 384 CB HIS B 5 10.726 0.679 2.093 1.00 0.00 C ATOM 385 CG HIS B 5 12.100 0.105 1.885 1.00 0.00 C ATOM 386 ND1 HIS B 5 12.963 0.624 0.944 1.00 0.00 N ATOM 387 CD2 HIS B 5 12.743 -0.932 2.503 1.00 0.00 C ATOM 388 CE1 HIS B 5 14.089 -0.101 1.015 1.00 0.00 C ATOM 389 NE2 HIS B 5 14.001 -1.064 1.955 1.00 0.00 N ATOM 0 H HIS B 5 11.673 1.069 -0.198 1.00 0.00 H new ATOM 0 HA HIS B 5 9.443 -0.506 0.825 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.797 1.739 2.337 1.00 0.00 H new ATOM 0 HB3 HIS B 5 10.240 0.189 2.937 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.333 -1.546 3.291 1.00 0.00 H new ATOM 0 HE1 HIS B 5 14.958 0.066 0.396 1.00 0.00 H new ATOM 0 HE2 HIS B 5 14.715 -1.747 2.208 1.00 0.00 H new ATOM 397 N LEU B 6 7.925 1.563 1.763 1.00 0.00 N ATOM 398 CA LEU B 6 6.835 2.576 1.755 1.00 0.00 C ATOM 399 C LEU B 6 6.728 3.232 3.127 1.00 0.00 C ATOM 400 O LEU B 6 7.554 3.016 3.983 1.00 0.00 O ATOM 401 CB LEU B 6 5.493 1.888 1.432 1.00 0.00 C ATOM 402 CG LEU B 6 4.826 2.461 0.158 1.00 0.00 C ATOM 403 CD1 LEU B 6 5.880 2.937 -0.840 1.00 0.00 C ATOM 404 CD2 LEU B 6 3.992 1.368 -0.507 1.00 0.00 C ATOM 0 H LEU B 6 7.928 0.927 2.560 1.00 0.00 H new ATOM 0 HA LEU B 6 7.060 3.330 1.001 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.658 0.818 1.302 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.815 2.005 2.278 1.00 0.00 H new ATOM 0 HG LEU B 6 4.200 3.305 0.448 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.387 3.335 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.489 3.716 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.517 2.099 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.520 1.766 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.637 0.532 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.223 1.025 0.185 1.00 0.00 H new ATOM 416 N CYS B 7 5.693 4.022 3.316 1.00 0.00 N ATOM 417 CA CYS B 7 5.448 4.724 4.617 1.00 0.00 C ATOM 418 C CYS B 7 4.842 6.105 4.330 1.00 0.00 C ATOM 419 O CYS B 7 5.306 6.839 3.477 1.00 0.00 O ATOM 420 CB CYS B 7 6.754 4.908 5.414 1.00 0.00 C ATOM 421 SG CYS B 7 7.059 3.516 6.558 1.00 0.00 S ATOM 0 H CYS B 7 4.991 4.213 2.601 1.00 0.00 H new ATOM 0 HA CYS B 7 4.767 4.115 5.212 1.00 0.00 H new ATOM 0 HB2 CYS B 7 7.591 4.999 4.722 1.00 0.00 H new ATOM 0 HB3 CYS B 7 6.706 5.838 5.980 1.00 0.00 H new ATOM 426 N GLY B 8 3.809 6.463 5.046 1.00 0.00 N ATOM 427 CA GLY B 8 3.171 7.795 4.837 1.00 0.00 C ATOM 428 C GLY B 8 2.498 7.865 3.462 1.00 0.00 C ATOM 429 O GLY B 8 1.992 6.884 2.946 1.00 0.00 O ATOM 0 H GLY B 8 3.378 5.887 5.770 1.00 0.00 H new ATOM 0 HA2 GLY B 8 2.433 7.976 5.618 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.922 8.580 4.920 1.00 0.00 H new ATOM 433 N SER B 9 2.481 9.032 2.874 1.00 0.00 N ATOM 434 CA SER B 9 1.837 9.195 1.542 1.00 0.00 C ATOM 435 C SER B 9 2.384 8.152 0.573 1.00 0.00 C ATOM 436 O SER B 9 1.701 7.709 -0.326 1.00 0.00 O ATOM 437 CB SER B 9 2.127 10.598 1.005 1.00 0.00 C ATOM 438 OG SER B 9 1.035 11.455 1.316 1.00 0.00 O ATOM 0 H SER B 9 2.888 9.882 3.263 1.00 0.00 H new ATOM 0 HA SER B 9 0.760 9.059 1.642 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.046 10.986 1.445 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.281 10.563 -0.074 1.00 0.00 H new ATOM 0 HG SER B 9 1.218 12.355 0.975 1.00 0.00 H new ATOM 444 N ASP B 10 3.606 7.752 0.752 1.00 0.00 N ATOM 445 CA ASP B 10 4.189 6.733 -0.162 1.00 0.00 C ATOM 446 C ASP B 10 3.264 5.518 -0.200 1.00 0.00 C ATOM 447 O ASP B 10 3.000 4.949 -1.243 1.00 0.00 O ATOM 448 CB ASP B 10 5.566 6.325 0.355 1.00 0.00 C ATOM 449 CG ASP B 10 6.392 7.577 0.655 1.00 0.00 C ATOM 450 OD1 ASP B 10 6.543 8.391 -0.240 1.00 0.00 O ATOM 451 OD2 ASP B 10 6.859 7.699 1.776 1.00 0.00 O ATOM 0 H ASP B 10 4.228 8.084 1.489 1.00 0.00 H new ATOM 0 HA ASP B 10 4.292 7.142 -1.167 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.463 5.720 1.256 1.00 0.00 H new ATOM 0 HB3 ASP B 10 6.076 5.709 -0.386 1.00 0.00 H new ATOM 456 N LEU B 11 2.760 5.127 0.932 1.00 0.00 N ATOM 457 CA LEU B 11 1.843 3.959 0.983 1.00 0.00 C ATOM 458 C LEU B 11 0.520 4.330 0.320 1.00 0.00 C ATOM 459 O LEU B 11 0.001 3.594 -0.494 1.00 0.00 O ATOM 460 CB LEU B 11 1.610 3.586 2.449 1.00 0.00 C ATOM 461 CG LEU B 11 1.103 2.142 2.594 1.00 0.00 C ATOM 462 CD1 LEU B 11 1.722 1.225 1.529 1.00 0.00 C ATOM 463 CD2 LEU B 11 1.498 1.635 3.980 1.00 0.00 C ATOM 0 H LEU B 11 2.945 5.570 1.832 1.00 0.00 H new ATOM 0 HA LEU B 11 2.278 3.110 0.455 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.539 3.703 3.007 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.886 4.272 2.888 1.00 0.00 H new ATOM 0 HG LEU B 11 0.021 2.131 2.464 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.344 0.211 1.658 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.455 1.588 0.537 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.807 1.224 1.636 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.148 0.610 4.106 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.583 1.663 4.082 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.045 2.269 4.742 1.00 0.00 H new ATOM 475 N VAL B 12 -0.032 5.466 0.645 1.00 0.00 N ATOM 476 CA VAL B 12 -1.320 5.849 0.004 1.00 0.00 C ATOM 477 C VAL B 12 -1.067 6.138 -1.476 1.00 0.00 C ATOM 478 O VAL B 12 -1.812 5.716 -2.331 1.00 0.00 O ATOM 479 CB VAL B 12 -1.930 7.075 0.708 1.00 0.00 C ATOM 480 CG1 VAL B 12 -1.502 7.079 2.173 1.00 0.00 C ATOM 481 CG2 VAL B 12 -1.466 8.376 0.044 1.00 0.00 C ATOM 0 H VAL B 12 0.345 6.136 1.315 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.034 5.030 0.094 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.016 7.014 0.631 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -1.932 7.946 2.675 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.853 6.168 2.657 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.415 7.126 2.234 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.911 9.227 0.560 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.380 8.446 0.100 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.777 8.382 -1.001 1.00 0.00 H new ATOM 491 N GLU B 13 -0.013 6.841 -1.786 1.00 0.00 N ATOM 492 CA GLU B 13 0.280 7.134 -3.215 1.00 0.00 C ATOM 493 C GLU B 13 0.111 5.842 -4.023 1.00 0.00 C ATOM 494 O GLU B 13 -0.367 5.853 -5.140 1.00 0.00 O ATOM 495 CB GLU B 13 1.716 7.688 -3.342 1.00 0.00 C ATOM 496 CG GLU B 13 2.688 6.603 -3.831 1.00 0.00 C ATOM 497 CD GLU B 13 4.098 7.186 -3.944 1.00 0.00 C ATOM 498 OE1 GLU B 13 4.469 7.960 -3.078 1.00 0.00 O ATOM 499 OE2 GLU B 13 4.782 6.847 -4.895 1.00 0.00 O ATOM 0 H GLU B 13 0.654 7.223 -1.115 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.407 7.886 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.725 8.528 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.048 8.070 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.687 5.761 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.364 6.220 -4.799 1.00 0.00 H new ATOM 506 N ALA B 14 0.485 4.727 -3.454 1.00 0.00 N ATOM 507 CA ALA B 14 0.331 3.439 -4.179 1.00 0.00 C ATOM 508 C ALA B 14 -1.079 2.915 -3.932 1.00 0.00 C ATOM 509 O ALA B 14 -1.801 2.581 -4.851 1.00 0.00 O ATOM 510 CB ALA B 14 1.354 2.427 -3.660 1.00 0.00 C ATOM 0 H ALA B 14 0.889 4.656 -2.520 1.00 0.00 H new ATOM 0 HA ALA B 14 0.496 3.588 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.237 1.484 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.361 2.813 -3.820 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.194 2.262 -2.594 1.00 0.00 H new ATOM 516 N LEU B 15 -1.482 2.850 -2.692 1.00 0.00 N ATOM 517 CA LEU B 15 -2.845 2.360 -2.381 1.00 0.00 C ATOM 518 C LEU B 15 -3.874 3.204 -3.138 1.00 0.00 C ATOM 519 O LEU B 15 -4.903 2.718 -3.554 1.00 0.00 O ATOM 520 CB LEU B 15 -3.086 2.489 -0.876 1.00 0.00 C ATOM 521 CG LEU B 15 -2.160 1.528 -0.107 1.00 0.00 C ATOM 522 CD1 LEU B 15 -2.759 1.248 1.264 1.00 0.00 C ATOM 523 CD2 LEU B 15 -1.982 0.199 -0.866 1.00 0.00 C ATOM 0 H LEU B 15 -0.921 3.117 -1.883 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.943 1.317 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -2.903 3.515 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.128 2.264 -0.646 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.182 1.998 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.108 0.568 1.814 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.857 2.183 1.816 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.742 0.792 1.145 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.323 -0.459 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.953 -0.281 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.544 0.395 -1.845 1.00 0.00 H new ATOM 535 N TYR B 16 -3.603 4.469 -3.313 1.00 0.00 N ATOM 536 CA TYR B 16 -4.563 5.350 -4.041 1.00 0.00 C ATOM 537 C TYR B 16 -4.569 4.992 -5.529 1.00 0.00 C ATOM 538 O TYR B 16 -5.607 4.771 -6.121 1.00 0.00 O ATOM 539 CB TYR B 16 -4.133 6.812 -3.890 1.00 0.00 C ATOM 540 CG TYR B 16 -5.221 7.598 -3.200 1.00 0.00 C ATOM 541 CD1 TYR B 16 -6.481 7.722 -3.799 1.00 0.00 C ATOM 542 CD2 TYR B 16 -4.969 8.210 -1.965 1.00 0.00 C ATOM 543 CE1 TYR B 16 -7.491 8.456 -3.161 1.00 0.00 C ATOM 544 CE2 TYR B 16 -5.978 8.944 -1.327 1.00 0.00 C ATOM 545 CZ TYR B 16 -7.239 9.067 -1.926 1.00 0.00 C ATOM 546 OH TYR B 16 -8.232 9.791 -1.299 1.00 0.00 O ATOM 0 H TYR B 16 -2.756 4.932 -2.983 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.560 5.209 -3.623 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.209 6.871 -3.315 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.927 7.243 -4.870 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.675 7.252 -4.752 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.997 8.116 -1.505 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.463 8.550 -3.622 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -5.784 9.415 -0.374 1.00 0.00 H new ATOM 0 HH TYR B 16 -7.892 10.147 -0.452 1.00 0.00 H new ATOM 556 N LEU B 17 -3.418 4.953 -6.143 1.00 0.00 N ATOM 557 CA LEU B 17 -3.358 4.631 -7.596 1.00 0.00 C ATOM 558 C LEU B 17 -3.889 3.216 -7.832 1.00 0.00 C ATOM 559 O LEU B 17 -4.378 2.892 -8.895 1.00 0.00 O ATOM 560 CB LEU B 17 -1.901 4.717 -8.072 1.00 0.00 C ATOM 561 CG LEU B 17 -1.801 5.401 -9.448 1.00 0.00 C ATOM 562 CD1 LEU B 17 -3.048 5.121 -10.295 1.00 0.00 C ATOM 563 CD2 LEU B 17 -1.646 6.912 -9.251 1.00 0.00 C ATOM 0 H LEU B 17 -2.516 5.130 -5.700 1.00 0.00 H new ATOM 0 HA LEU B 17 -3.969 5.342 -8.152 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.310 5.273 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -1.475 3.715 -8.130 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.934 5.000 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.950 5.616 -11.261 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -3.151 4.047 -10.447 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -3.930 5.501 -9.780 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -1.575 7.400 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -2.511 7.299 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.742 7.113 -8.677 1.00 0.00 H new ATOM 575 N VAL B 18 -3.797 2.372 -6.847 1.00 0.00 N ATOM 576 CA VAL B 18 -4.294 0.977 -7.011 1.00 0.00 C ATOM 577 C VAL B 18 -5.689 0.869 -6.407 1.00 0.00 C ATOM 578 O VAL B 18 -6.507 0.078 -6.833 1.00 0.00 O ATOM 579 CB VAL B 18 -3.342 0.011 -6.305 1.00 0.00 C ATOM 580 CG1 VAL B 18 -1.910 0.358 -6.683 1.00 0.00 C ATOM 581 CG2 VAL B 18 -3.495 0.132 -4.790 1.00 0.00 C ATOM 0 H VAL B 18 -3.399 2.586 -5.933 1.00 0.00 H new ATOM 0 HA VAL B 18 -4.339 0.722 -8.070 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.579 -1.008 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.225 -0.327 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -1.787 0.270 -7.762 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.690 1.380 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -2.812 -0.561 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -3.262 1.151 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -4.520 -0.108 -4.508 1.00 0.00 H new ATOM 591 N CYS B 19 -5.965 1.667 -5.420 1.00 0.00 N ATOM 592 CA CYS B 19 -7.300 1.631 -4.778 1.00 0.00 C ATOM 593 C CYS B 19 -7.992 2.978 -4.997 1.00 0.00 C ATOM 594 O CYS B 19 -8.737 3.451 -4.161 1.00 0.00 O ATOM 595 CB CYS B 19 -7.131 1.381 -3.280 1.00 0.00 C ATOM 596 SG CYS B 19 -5.876 0.104 -3.017 1.00 0.00 S ATOM 0 H CYS B 19 -5.316 2.349 -5.027 1.00 0.00 H new ATOM 0 HA CYS B 19 -7.902 0.833 -5.213 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.837 2.303 -2.778 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.080 1.068 -2.844 1.00 0.00 H new ATOM 601 N GLY B 20 -7.738 3.602 -6.114 1.00 0.00 N ATOM 602 CA GLY B 20 -8.360 4.926 -6.397 1.00 0.00 C ATOM 603 C GLY B 20 -9.828 4.925 -5.968 1.00 0.00 C ATOM 604 O GLY B 20 -10.161 5.288 -4.857 1.00 0.00 O ATOM 0 H GLY B 20 -7.123 3.249 -6.847 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -7.820 5.710 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -8.285 5.151 -7.461 1.00 0.00 H new ATOM 608 N GLU B 21 -10.712 4.535 -6.846 1.00 0.00 N ATOM 609 CA GLU B 21 -12.160 4.529 -6.496 1.00 0.00 C ATOM 610 C GLU B 21 -12.477 3.340 -5.588 1.00 0.00 C ATOM 611 O GLU B 21 -13.428 3.365 -4.832 1.00 0.00 O ATOM 612 CB GLU B 21 -12.991 4.429 -7.778 1.00 0.00 C ATOM 613 CG GLU B 21 -14.448 4.781 -7.473 1.00 0.00 C ATOM 614 CD GLU B 21 -15.122 5.308 -8.741 1.00 0.00 C ATOM 615 OE1 GLU B 21 -14.677 6.325 -9.245 1.00 0.00 O ATOM 616 OE2 GLU B 21 -16.071 4.684 -9.186 1.00 0.00 O ATOM 0 H GLU B 21 -10.493 4.220 -7.791 1.00 0.00 H new ATOM 0 HA GLU B 21 -12.404 5.452 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -12.594 5.105 -8.535 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -12.928 3.421 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -14.977 3.901 -7.106 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -14.494 5.532 -6.685 1.00 0.00 H new ATOM 623 N ARG B 22 -11.695 2.300 -5.651 1.00 0.00 N ATOM 624 CA ARG B 22 -11.963 1.124 -4.789 1.00 0.00 C ATOM 625 C ARG B 22 -11.598 1.463 -3.343 1.00 0.00 C ATOM 626 O ARG B 22 -11.837 0.689 -2.438 1.00 0.00 O ATOM 627 CB ARG B 22 -11.114 -0.049 -5.274 1.00 0.00 C ATOM 628 CG ARG B 22 -11.886 -0.834 -6.337 1.00 0.00 C ATOM 629 CD ARG B 22 -13.147 -1.437 -5.716 1.00 0.00 C ATOM 630 NE ARG B 22 -13.247 -2.875 -6.094 1.00 0.00 N ATOM 631 CZ ARG B 22 -14.365 -3.344 -6.575 1.00 0.00 C ATOM 632 NH1 ARG B 22 -15.497 -3.048 -5.997 1.00 0.00 N ATOM 633 NH2 ARG B 22 -14.352 -4.108 -7.633 1.00 0.00 N ATOM 0 H ARG B 22 -10.883 2.216 -6.263 1.00 0.00 H new ATOM 0 HA ARG B 22 -13.019 0.857 -4.839 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -10.174 0.316 -5.688 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -10.863 -0.700 -4.437 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -12.154 -0.177 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -11.257 -1.624 -6.748 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -13.115 -1.336 -4.631 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -14.029 -0.897 -6.060 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.443 -3.491 -5.977 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -15.507 -2.451 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -16.372 -3.414 -6.372 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.467 -4.339 -8.085 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -15.227 -4.474 -8.008 1.00 0.00 H new ATOM 647 N GLY B 23 -11.021 2.616 -3.118 1.00 0.00 N ATOM 648 CA GLY B 23 -10.640 3.003 -1.728 1.00 0.00 C ATOM 649 C GLY B 23 -9.659 1.974 -1.161 1.00 0.00 C ATOM 650 O GLY B 23 -9.756 0.795 -1.437 1.00 0.00 O ATOM 0 H GLY B 23 -10.798 3.305 -3.837 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.185 3.994 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.528 3.059 -1.099 1.00 0.00 H new ATOM 654 N PHE B 24 -8.713 2.402 -0.369 1.00 0.00 N ATOM 655 CA PHE B 24 -7.741 1.430 0.203 1.00 0.00 C ATOM 656 C PHE B 24 -8.045 1.202 1.685 1.00 0.00 C ATOM 657 O PHE B 24 -8.954 1.787 2.240 1.00 0.00 O ATOM 658 CB PHE B 24 -6.314 1.959 0.047 1.00 0.00 C ATOM 659 CG PHE B 24 -6.285 3.457 0.243 1.00 0.00 C ATOM 660 CD1 PHE B 24 -6.469 4.311 -0.852 1.00 0.00 C ATOM 661 CD2 PHE B 24 -6.057 3.993 1.518 1.00 0.00 C ATOM 662 CE1 PHE B 24 -6.426 5.701 -0.673 1.00 0.00 C ATOM 663 CE2 PHE B 24 -6.010 5.383 1.697 1.00 0.00 C ATOM 664 CZ PHE B 24 -6.195 6.236 0.601 1.00 0.00 C ATOM 0 H PHE B 24 -8.573 3.375 -0.096 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.831 0.485 -0.333 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.659 1.478 0.773 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.932 1.707 -0.942 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.644 3.899 -1.835 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.917 3.335 2.363 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.571 6.359 -1.517 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.831 5.796 2.679 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.160 7.307 0.738 1.00 0.00 H new ATOM 674 N PHE B 25 -7.296 0.348 2.327 1.00 0.00 N ATOM 675 CA PHE B 25 -7.548 0.073 3.769 1.00 0.00 C ATOM 676 C PHE B 25 -6.254 0.257 4.566 1.00 0.00 C ATOM 677 O PHE B 25 -5.706 -0.685 5.103 1.00 0.00 O ATOM 678 CB PHE B 25 -8.042 -1.366 3.929 1.00 0.00 C ATOM 679 CG PHE B 25 -9.161 -1.409 4.942 1.00 0.00 C ATOM 680 CD1 PHE B 25 -9.079 -0.640 6.111 1.00 0.00 C ATOM 681 CD2 PHE B 25 -10.281 -2.219 4.713 1.00 0.00 C ATOM 682 CE1 PHE B 25 -10.118 -0.682 7.050 1.00 0.00 C ATOM 683 CE2 PHE B 25 -11.320 -2.260 5.652 1.00 0.00 C ATOM 684 CZ PHE B 25 -11.238 -1.491 6.821 1.00 0.00 C ATOM 0 H PHE B 25 -6.521 -0.171 1.915 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.302 0.766 4.143 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.391 -1.750 2.970 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.222 -2.009 4.250 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.216 -0.016 6.288 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.343 -2.812 3.812 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.055 -0.090 7.951 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -12.184 -2.884 5.475 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.039 -1.522 7.545 1.00 0.00 H new ATOM 694 N TYR B 26 -5.764 1.463 4.655 1.00 0.00 N ATOM 695 CA TYR B 26 -4.511 1.700 5.427 1.00 0.00 C ATOM 696 C TYR B 26 -4.750 1.323 6.890 1.00 0.00 C ATOM 697 O TYR B 26 -5.747 1.694 7.478 1.00 0.00 O ATOM 698 CB TYR B 26 -4.130 3.180 5.330 1.00 0.00 C ATOM 699 CG TYR B 26 -2.786 3.416 5.980 1.00 0.00 C ATOM 700 CD1 TYR B 26 -1.784 2.437 5.910 1.00 0.00 C ATOM 701 CD2 TYR B 26 -2.539 4.622 6.649 1.00 0.00 C ATOM 702 CE1 TYR B 26 -0.538 2.666 6.509 1.00 0.00 C ATOM 703 CE2 TYR B 26 -1.294 4.850 7.248 1.00 0.00 C ATOM 704 CZ TYR B 26 -0.293 3.872 7.178 1.00 0.00 C ATOM 705 OH TYR B 26 0.934 4.098 7.766 1.00 0.00 O ATOM 0 H TYR B 26 -6.176 2.293 4.228 1.00 0.00 H new ATOM 0 HA TYR B 26 -3.702 1.093 5.021 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.095 3.486 4.285 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.890 3.791 5.817 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -1.973 1.507 5.395 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.310 5.377 6.703 1.00 0.00 H new ATOM 0 HE1 TYR B 26 0.234 1.912 6.455 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.105 5.780 7.764 1.00 0.00 H new ATOM 0 HH TYR B 26 0.937 4.983 8.187 1.00 0.00 H new ATOM 715 N THR B 27 -3.854 0.584 7.485 1.00 0.00 N ATOM 716 CA THR B 27 -4.049 0.185 8.906 1.00 0.00 C ATOM 717 C THR B 27 -2.846 0.629 9.735 1.00 0.00 C ATOM 718 O THR B 27 -1.726 0.650 9.263 1.00 0.00 O ATOM 719 CB THR B 27 -4.192 -1.337 8.995 1.00 0.00 C ATOM 720 OG1 THR B 27 -3.108 -1.953 8.312 1.00 0.00 O ATOM 721 CG2 THR B 27 -5.512 -1.769 8.355 1.00 0.00 C ATOM 0 H THR B 27 -2.998 0.241 7.049 1.00 0.00 H new ATOM 0 HA THR B 27 -4.951 0.660 9.292 1.00 0.00 H new ATOM 0 HB THR B 27 -4.184 -1.641 10.042 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.197 -2.927 8.369 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.610 -2.853 8.420 1.00 0.00 H new ATOM 0 HG22 THR B 27 -6.343 -1.297 8.880 1.00 0.00 H new ATOM 0 HG23 THR B 27 -5.525 -1.466 7.308 1.00 0.00 H new ATOM 729 N LYS B 28 -3.065 0.973 10.972 1.00 0.00 N ATOM 730 CA LYS B 28 -1.936 1.402 11.834 1.00 0.00 C ATOM 731 C LYS B 28 -2.306 1.243 13.303 1.00 0.00 C ATOM 732 O LYS B 28 -1.630 0.546 14.034 1.00 0.00 O ATOM 733 CB LYS B 28 -1.601 2.871 11.593 1.00 0.00 C ATOM 734 CG LYS B 28 -0.116 3.008 11.253 1.00 0.00 C ATOM 735 CD LYS B 28 0.334 4.484 11.261 1.00 0.00 C ATOM 736 CE LYS B 28 -0.827 5.413 10.885 1.00 0.00 C ATOM 737 NZ LYS B 28 -1.500 5.891 12.126 1.00 0.00 N ATOM 0 H LYS B 28 -3.980 0.975 11.422 1.00 0.00 H new ATOM 0 HA LYS B 28 -1.077 0.778 11.587 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -2.209 3.264 10.778 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -1.837 3.459 12.480 1.00 0.00 H new ATOM 0 HG2 LYS B 28 0.476 2.442 11.972 1.00 0.00 H new ATOM 0 HG3 LYS B 28 0.075 2.574 10.272 1.00 0.00 H new ATOM 0 HD2 LYS B 28 0.711 4.748 12.249 1.00 0.00 H new ATOM 0 HD3 LYS B 28 1.157 4.621 10.559 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -0.457 6.261 10.309 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.540 4.885 10.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -2.523 5.715 12.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.116 5.381 12.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -1.331 6.911 12.242 1.00 0.00 H new ATOM 751 N PRO B 29 -3.342 1.934 13.716 1.00 0.00 N ATOM 752 CA PRO B 29 -3.768 1.916 15.117 1.00 0.00 C ATOM 753 C PRO B 29 -4.706 0.732 15.379 1.00 0.00 C ATOM 754 O PRO B 29 -5.903 0.895 15.511 1.00 0.00 O ATOM 755 CB PRO B 29 -4.511 3.241 15.255 1.00 0.00 C ATOM 756 CG PRO B 29 -5.011 3.621 13.843 1.00 0.00 C ATOM 757 CD PRO B 29 -4.187 2.794 12.849 1.00 0.00 C ATOM 0 HA PRO B 29 -2.946 1.805 15.824 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -5.347 3.145 15.948 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -3.853 4.014 15.653 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -6.074 3.406 13.738 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -4.882 4.688 13.660 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -4.827 2.199 12.197 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.581 3.431 12.205 1.00 0.00 H new ATOM 765 N THR B 30 -4.173 -0.457 15.456 1.00 0.00 N ATOM 766 CA THR B 30 -5.036 -1.646 15.709 1.00 0.00 C ATOM 767 C THR B 30 -4.812 -2.145 17.138 1.00 0.00 C ATOM 768 O THR B 30 -5.745 -2.074 17.922 1.00 0.00 O ATOM 769 CB THR B 30 -4.676 -2.757 14.718 1.00 0.00 C ATOM 770 OG1 THR B 30 -4.616 -2.216 13.406 1.00 0.00 O ATOM 771 CG2 THR B 30 -5.739 -3.856 14.771 1.00 0.00 C ATOM 772 OXT THR B 30 -3.712 -2.588 17.424 1.00 0.00 O ATOM 0 H THR B 30 -3.178 -0.656 15.355 1.00 0.00 H new ATOM 0 HA THR B 30 -6.083 -1.369 15.581 1.00 0.00 H new ATOM 0 HB THR B 30 -3.707 -3.180 14.982 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.384 -2.925 12.770 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.481 -4.646 14.065 1.00 0.00 H new ATOM 0 HG22 THR B 30 -5.784 -4.270 15.778 1.00 0.00 H new ATOM 0 HG23 THR B 30 -6.710 -3.436 14.507 1.00 0.00 H new TER 780 THR B 30