USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 764 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 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.45) USER MOD Single : A 1 HIS N :NH3+ -179:sc= -1.04 (180deg=-1.08) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 18 TYR OH : rot -86:sc= -9.84! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -23.2! C(o=-23!,f=-34!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 37 TYR OH : rot 87:sc= 0.281 USER MOD Single : A 39 THR OG1 : rot -170:sc= -5.67! USER MOD Single : B 1 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.44) USER MOD Single : B 1 HIS N :NH3+ 179:sc= -0.951! (180deg=-0.966!) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.19) USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : B 18 TYR OH : rot -86:sc= -9.67! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -23.2! C(o=-23!,f=-34!) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : B 37 TYR OH : rot 86:sc= 0.244 USER MOD Single : B 39 THR OG1 : rot -170:sc= -5.6! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -4.610 22.828 2.406 1.00 10.00 N ATOM 2 CA HIS A 1 -3.281 23.140 1.798 1.00 10.00 C ATOM 3 C HIS A 1 -2.156 22.544 2.649 1.00 10.00 C ATOM 4 O HIS A 1 -1.016 22.957 2.563 1.00 10.00 O ATOM 5 CB HIS A 1 -3.178 24.671 1.783 1.00 10.00 C ATOM 6 CG HIS A 1 -4.538 25.287 1.974 1.00 10.00 C ATOM 7 ND1 HIS A 1 -5.411 25.493 0.918 1.00 10.00 N ATOM 8 CD2 HIS A 1 -5.187 25.748 3.093 1.00 10.00 C ATOM 9 CE1 HIS A 1 -6.527 26.055 1.418 1.00 10.00 C ATOM 10 NE2 HIS A 1 -6.443 26.232 2.739 1.00 10.00 N ATOM 0 H1 HIS A 1 -5.366 23.223 1.810 1.00 10.00 H new ATOM 0 H2 HIS A 1 -4.727 21.797 2.475 1.00 10.00 H new ATOM 0 H3 HIS A 1 -4.664 23.247 3.356 1.00 10.00 H new ATOM 0 HA HIS A 1 -3.189 22.720 0.796 1.00 10.00 H new ATOM 0 HB2 HIS A 1 -2.506 25.005 2.573 1.00 10.00 H new ATOM 0 HB3 HIS A 1 -2.750 25.004 0.838 1.00 10.00 H new ATOM 0 HD2 HIS A 1 -4.784 25.737 4.095 1.00 10.00 H new ATOM 0 HE1 HIS A 1 -7.386 26.329 0.823 1.00 10.00 H new ATOM 0 HE2 HIS A 1 -7.148 26.635 3.356 1.00 10.00 H new ATOM 20 N MET A 2 -2.463 21.579 3.472 1.00 10.00 N ATOM 21 CA MET A 2 -1.409 20.962 4.325 1.00 10.00 C ATOM 22 C MET A 2 -1.987 19.774 5.101 1.00 10.00 C ATOM 23 O MET A 2 -1.612 18.638 4.885 1.00 10.00 O ATOM 24 CB MET A 2 -0.976 22.077 5.280 1.00 10.00 C ATOM 25 CG MET A 2 -0.382 21.464 6.552 1.00 10.00 C ATOM 26 SD MET A 2 0.370 22.769 7.556 1.00 10.00 S ATOM 27 CE MET A 2 -0.950 22.894 8.786 1.00 10.00 C ATOM 0 H MET A 2 -3.399 21.191 3.590 1.00 10.00 H new ATOM 0 HA MET A 2 -0.571 20.578 3.742 1.00 10.00 H new ATOM 0 HB2 MET A 2 -0.240 22.719 4.796 1.00 10.00 H new ATOM 0 HB3 MET A 2 -1.830 22.706 5.532 1.00 10.00 H new ATOM 0 HG2 MET A 2 -1.160 20.955 7.121 1.00 10.00 H new ATOM 0 HG3 MET A 2 0.365 20.714 6.292 1.00 10.00 H new ATOM 0 HE1 MET A 2 -0.692 23.657 9.521 1.00 10.00 H new ATOM 0 HE2 MET A 2 -1.883 23.167 8.292 1.00 10.00 H new ATOM 0 HE3 MET A 2 -1.072 21.934 9.288 1.00 10.00 H new ATOM 37 N GLY A 3 -2.897 20.027 6.001 1.00 10.00 N ATOM 38 CA GLY A 3 -3.497 18.913 6.789 1.00 10.00 C ATOM 39 C GLY A 3 -2.395 17.950 7.236 1.00 10.00 C ATOM 40 O GLY A 3 -1.224 18.272 7.200 1.00 10.00 O ATOM 0 H GLY A 3 -3.251 20.957 6.225 1.00 10.00 H new ATOM 0 HA2 GLY A 3 -4.022 19.310 7.658 1.00 10.00 H new ATOM 0 HA3 GLY A 3 -4.234 18.383 6.186 1.00 10.00 H new ATOM 44 N HIS A 4 -2.760 16.770 7.657 1.00 10.00 N ATOM 45 CA HIS A 4 -1.732 15.788 8.106 1.00 10.00 C ATOM 46 C HIS A 4 -1.591 14.662 7.077 1.00 10.00 C ATOM 47 O HIS A 4 -0.860 13.711 7.279 1.00 10.00 O ATOM 48 CB HIS A 4 -2.262 15.241 9.434 1.00 10.00 C ATOM 49 CG HIS A 4 -1.209 14.382 10.076 1.00 10.00 C ATOM 50 ND1 HIS A 4 -1.464 13.082 10.484 1.00 10.00 N ATOM 51 CD2 HIS A 4 0.107 14.622 10.386 1.00 10.00 C ATOM 52 CE1 HIS A 4 -0.326 12.593 11.010 1.00 10.00 C ATOM 53 NE2 HIS A 4 0.662 13.490 10.975 1.00 10.00 N ATOM 0 H HIS A 4 -3.725 16.443 7.710 1.00 10.00 H new ATOM 0 HA HIS A 4 -0.747 16.241 8.216 1.00 10.00 H new ATOM 0 HB2 HIS A 4 -2.530 16.063 10.097 1.00 10.00 H new ATOM 0 HB3 HIS A 4 -3.168 14.659 9.265 1.00 10.00 H new ATOM 0 HD2 HIS A 4 0.631 15.548 10.201 1.00 10.00 H new ATOM 0 HE1 HIS A 4 -0.224 11.596 11.412 1.00 10.00 H new ATOM 0 HE2 HIS A 4 1.619 13.371 11.308 1.00 10.00 H new ATOM 61 N ILE A 5 -2.282 14.762 5.975 1.00 10.00 N ATOM 62 CA ILE A 5 -2.187 13.700 4.932 1.00 10.00 C ATOM 63 C ILE A 5 -1.471 14.245 3.691 1.00 10.00 C ATOM 64 O ILE A 5 -2.088 14.783 2.794 1.00 10.00 O ATOM 65 CB ILE A 5 -3.639 13.333 4.610 1.00 10.00 C ATOM 66 CG1 ILE A 5 -4.094 12.202 5.535 1.00 10.00 C ATOM 67 CG2 ILE A 5 -3.753 12.871 3.155 1.00 10.00 C ATOM 68 CD1 ILE A 5 -3.901 12.626 6.993 1.00 10.00 C ATOM 0 H ILE A 5 -2.909 15.534 5.751 1.00 10.00 H new ATOM 0 HA ILE A 5 -1.617 12.833 5.267 1.00 10.00 H new ATOM 0 HB ILE A 5 -4.269 14.210 4.759 1.00 10.00 H new ATOM 0 HG12 ILE A 5 -5.142 11.966 5.350 1.00 10.00 H new ATOM 0 HG13 ILE A 5 -3.522 11.297 5.329 1.00 10.00 H new ATOM 0 HG21 ILE A 5 -4.789 12.612 2.936 1.00 10.00 H new ATOM 0 HG22 ILE A 5 -3.431 13.674 2.492 1.00 10.00 H new ATOM 0 HG23 ILE A 5 -3.120 11.997 3.000 1.00 10.00 H new ATOM 0 HD11 ILE A 5 -4.225 11.821 7.652 1.00 10.00 H new ATOM 0 HD12 ILE A 5 -2.848 12.841 7.173 1.00 10.00 H new ATOM 0 HD13 ILE A 5 -4.493 13.519 7.194 1.00 10.00 H new ATOM 80 N GLN A 6 -0.174 14.108 3.636 1.00 10.00 N ATOM 81 CA GLN A 6 0.579 14.616 2.454 1.00 10.00 C ATOM 82 C GLN A 6 1.854 13.792 2.248 1.00 10.00 C ATOM 83 O GLN A 6 2.612 13.565 3.169 1.00 10.00 O ATOM 84 CB GLN A 6 0.924 16.067 2.796 1.00 10.00 C ATOM 85 CG GLN A 6 2.111 16.100 3.762 1.00 10.00 C ATOM 86 CD GLN A 6 2.193 17.477 4.424 1.00 10.00 C ATOM 87 OE1 GLN A 6 1.479 17.754 5.367 1.00 10.00 O ATOM 88 NE2 GLN A 6 3.042 18.357 3.968 1.00 10.00 N ATOM 0 H GLN A 6 0.396 13.667 4.358 1.00 10.00 H new ATOM 0 HA GLN A 6 0.002 14.543 1.532 1.00 10.00 H new ATOM 0 HB2 GLN A 6 1.167 16.617 1.887 1.00 10.00 H new ATOM 0 HB3 GLN A 6 0.062 16.560 3.246 1.00 10.00 H new ATOM 0 HG2 GLN A 6 1.997 15.326 4.521 1.00 10.00 H new ATOM 0 HG3 GLN A 6 3.036 15.887 3.226 1.00 10.00 H new ATOM 0 HE21 GLN A 6 3.642 18.125 3.176 1.00 10.00 H new ATOM 0 HE22 GLN A 6 3.106 19.277 4.403 1.00 10.00 H new ATOM 97 N ILE A 7 2.095 13.343 1.048 1.00 10.00 N ATOM 98 CA ILE A 7 3.320 12.534 0.788 1.00 10.00 C ATOM 99 C ILE A 7 3.933 12.923 -0.561 1.00 10.00 C ATOM 100 O ILE A 7 3.239 13.029 -1.551 1.00 10.00 O ATOM 101 CB ILE A 7 2.837 11.085 0.762 1.00 10.00 C ATOM 102 CG1 ILE A 7 2.576 10.615 2.200 1.00 10.00 C ATOM 103 CG2 ILE A 7 3.908 10.207 0.106 1.00 10.00 C ATOM 104 CD1 ILE A 7 3.209 9.240 2.432 1.00 10.00 C ATOM 0 H ILE A 7 1.498 13.501 0.236 1.00 10.00 H new ATOM 0 HA ILE A 7 4.090 12.693 1.543 1.00 10.00 H new ATOM 0 HB ILE A 7 1.914 11.009 0.188 1.00 10.00 H new ATOM 0 HG12 ILE A 7 2.987 11.336 2.906 1.00 10.00 H new ATOM 0 HG13 ILE A 7 1.503 10.565 2.385 1.00 10.00 H new ATOM 0 HG21 ILE A 7 3.567 9.172 0.085 1.00 10.00 H new ATOM 0 HG22 ILE A 7 4.086 10.551 -0.913 1.00 10.00 H new ATOM 0 HG23 ILE A 7 4.833 10.273 0.678 1.00 10.00 H new ATOM 0 HD11 ILE A 7 3.016 8.919 3.456 1.00 10.00 H new ATOM 0 HD12 ILE A 7 2.777 8.519 1.738 1.00 10.00 H new ATOM 0 HD13 ILE A 7 4.285 9.302 2.268 1.00 10.00 H new ATOM 116 N PRO A 8 5.223 13.119 -0.548 1.00 10.00 N ATOM 117 CA PRO A 8 5.949 13.501 -1.784 1.00 10.00 C ATOM 118 C PRO A 8 6.018 12.320 -2.756 1.00 10.00 C ATOM 119 O PRO A 8 6.183 11.187 -2.348 1.00 10.00 O ATOM 120 CB PRO A 8 7.336 13.876 -1.286 1.00 10.00 C ATOM 121 CG PRO A 8 7.490 13.135 -0.005 1.00 10.00 C ATOM 122 CD PRO A 8 6.120 13.008 0.602 1.00 10.00 C ATOM 0 HA PRO A 8 5.464 14.311 -2.329 1.00 10.00 H new ATOM 0 HB2 PRO A 8 8.105 13.590 -2.004 1.00 10.00 H new ATOM 0 HB3 PRO A 8 7.425 14.952 -1.134 1.00 10.00 H new ATOM 0 HG2 PRO A 8 7.926 12.151 -0.179 1.00 10.00 H new ATOM 0 HG3 PRO A 8 8.162 13.667 0.669 1.00 10.00 H new ATOM 0 HD2 PRO A 8 5.996 12.055 1.117 1.00 10.00 H new ATOM 0 HD3 PRO A 8 5.932 13.793 1.335 1.00 10.00 H new ATOM 130 N PRO A 9 5.891 12.630 -4.018 1.00 10.00 N ATOM 131 CA PRO A 9 5.940 11.585 -5.068 1.00 10.00 C ATOM 132 C PRO A 9 7.374 11.080 -5.254 1.00 10.00 C ATOM 133 O PRO A 9 8.280 11.487 -4.555 1.00 10.00 O ATOM 134 CB PRO A 9 5.454 12.311 -6.320 1.00 10.00 C ATOM 135 CG PRO A 9 5.752 13.755 -6.069 1.00 10.00 C ATOM 136 CD PRO A 9 5.690 13.971 -4.579 1.00 10.00 C ATOM 0 HA PRO A 9 5.338 10.709 -4.828 1.00 10.00 H new ATOM 0 HB2 PRO A 9 5.969 11.951 -7.210 1.00 10.00 H new ATOM 0 HB3 PRO A 9 4.388 12.150 -6.481 1.00 10.00 H new ATOM 0 HG2 PRO A 9 6.737 14.017 -6.455 1.00 10.00 H new ATOM 0 HG3 PRO A 9 5.030 14.391 -6.580 1.00 10.00 H new ATOM 0 HD2 PRO A 9 6.462 14.664 -4.244 1.00 10.00 H new ATOM 0 HD3 PRO A 9 4.731 14.391 -4.276 1.00 10.00 H new ATOM 144 N GLY A 10 7.583 10.198 -6.190 1.00 10.00 N ATOM 145 CA GLY A 10 8.957 9.667 -6.419 1.00 10.00 C ATOM 146 C GLY A 10 9.188 8.452 -5.520 1.00 10.00 C ATOM 147 O GLY A 10 9.724 7.447 -5.943 1.00 10.00 O ATOM 0 H GLY A 10 6.863 9.821 -6.807 1.00 10.00 H new ATOM 0 HA2 GLY A 10 9.081 9.388 -7.465 1.00 10.00 H new ATOM 0 HA3 GLY A 10 9.697 10.438 -6.205 1.00 10.00 H new ATOM 151 N LEU A 11 8.783 8.533 -4.281 1.00 10.00 N ATOM 152 CA LEU A 11 8.978 7.380 -3.353 1.00 10.00 C ATOM 153 C LEU A 11 8.113 6.197 -3.797 1.00 10.00 C ATOM 154 O LEU A 11 8.584 5.084 -3.925 1.00 10.00 O ATOM 155 CB LEU A 11 8.524 7.898 -1.984 1.00 10.00 C ATOM 156 CG LEU A 11 8.352 6.725 -1.015 1.00 10.00 C ATOM 157 CD1 LEU A 11 9.678 6.444 -0.308 1.00 10.00 C ATOM 158 CD2 LEU A 11 7.288 7.077 0.026 1.00 10.00 C ATOM 0 H LEU A 11 8.326 9.347 -3.871 1.00 10.00 H new ATOM 0 HA LEU A 11 10.010 7.029 -3.334 1.00 10.00 H new ATOM 0 HB2 LEU A 11 9.257 8.602 -1.590 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.583 8.440 -2.084 1.00 10.00 H new ATOM 0 HG LEU A 11 8.042 5.840 -1.571 1.00 10.00 H new ATOM 0 HD11 LEU A 11 9.553 5.609 0.381 1.00 10.00 H new ATOM 0 HD12 LEU A 11 10.439 6.194 -1.047 1.00 10.00 H new ATOM 0 HD13 LEU A 11 9.989 7.329 0.247 1.00 10.00 H new ATOM 0 HD21 LEU A 11 7.165 6.243 0.717 1.00 10.00 H new ATOM 0 HD22 LEU A 11 7.599 7.963 0.579 1.00 10.00 H new ATOM 0 HD23 LEU A 11 6.341 7.277 -0.475 1.00 10.00 H new ATOM 170 N THR A 12 6.850 6.429 -4.032 1.00 10.00 N ATOM 171 CA THR A 12 5.955 5.318 -4.466 1.00 10.00 C ATOM 172 C THR A 12 6.546 4.608 -5.686 1.00 10.00 C ATOM 173 O THR A 12 6.270 3.452 -5.936 1.00 10.00 O ATOM 174 CB THR A 12 4.630 5.997 -4.823 1.00 10.00 C ATOM 175 OG1 THR A 12 3.862 6.180 -3.641 1.00 10.00 O ATOM 176 CG2 THR A 12 3.851 5.126 -5.809 1.00 10.00 C ATOM 0 H THR A 12 6.399 7.340 -3.942 1.00 10.00 H new ATOM 0 HA THR A 12 5.828 4.560 -3.693 1.00 10.00 H new ATOM 0 HB THR A 12 4.832 6.965 -5.282 1.00 10.00 H new ATOM 0 HG1 THR A 12 3.014 6.616 -3.866 1.00 10.00 H new ATOM 0 HG21 THR A 12 2.909 5.614 -6.060 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.440 4.987 -6.715 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.648 4.156 -5.356 1.00 10.00 H new ATOM 184 N GLU A 13 7.357 5.289 -6.448 1.00 10.00 N ATOM 185 CA GLU A 13 7.962 4.651 -7.651 1.00 10.00 C ATOM 186 C GLU A 13 9.089 3.698 -7.239 1.00 10.00 C ATOM 187 O GLU A 13 9.020 2.507 -7.462 1.00 10.00 O ATOM 188 CB GLU A 13 8.516 5.812 -8.477 1.00 10.00 C ATOM 189 CG GLU A 13 7.366 6.533 -9.181 1.00 10.00 C ATOM 190 CD GLU A 13 7.927 7.448 -10.273 1.00 10.00 C ATOM 191 OE1 GLU A 13 8.891 7.056 -10.908 1.00 10.00 O ATOM 192 OE2 GLU A 13 7.382 8.524 -10.454 1.00 10.00 O ATOM 0 H GLU A 13 7.627 6.260 -6.290 1.00 10.00 H new ATOM 0 HA GLU A 13 7.238 4.059 -8.212 1.00 10.00 H new ATOM 0 HB2 GLU A 13 9.054 6.507 -7.832 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.230 5.441 -9.212 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.681 5.807 -9.618 1.00 10.00 H new ATOM 0 HG3 GLU A 13 6.794 7.118 -8.460 1.00 10.00 H new ATOM 199 N LEU A 14 10.128 4.214 -6.642 1.00 10.00 N ATOM 200 CA LEU A 14 11.258 3.337 -6.222 1.00 10.00 C ATOM 201 C LEU A 14 10.727 2.087 -5.515 1.00 10.00 C ATOM 202 O LEU A 14 11.082 0.975 -5.852 1.00 10.00 O ATOM 203 CB LEU A 14 12.083 4.190 -5.257 1.00 10.00 C ATOM 204 CG LEU A 14 13.193 4.905 -6.032 1.00 10.00 C ATOM 205 CD1 LEU A 14 12.755 6.335 -6.349 1.00 10.00 C ATOM 206 CD2 LEU A 14 14.467 4.937 -5.186 1.00 10.00 C ATOM 0 H LEU A 14 10.244 5.204 -6.427 1.00 10.00 H new ATOM 0 HA LEU A 14 11.849 2.992 -7.070 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.443 4.919 -4.761 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.515 3.562 -4.477 1.00 10.00 H new ATOM 0 HG LEU A 14 13.388 4.371 -6.962 1.00 10.00 H new ATOM 0 HD11 LEU A 14 13.545 6.844 -6.901 1.00 10.00 H new ATOM 0 HD12 LEU A 14 11.848 6.312 -6.953 1.00 10.00 H new ATOM 0 HD13 LEU A 14 12.559 6.870 -5.420 1.00 10.00 H new ATOM 0 HD21 LEU A 14 15.257 5.446 -5.738 1.00 10.00 H new ATOM 0 HD22 LEU A 14 14.273 5.470 -4.255 1.00 10.00 H new ATOM 0 HD23 LEU A 14 14.780 3.917 -4.961 1.00 10.00 H new ATOM 218 N LEU A 15 9.879 2.258 -4.539 1.00 10.00 N ATOM 219 CA LEU A 15 9.331 1.075 -3.816 1.00 10.00 C ATOM 220 C LEU A 15 8.572 0.169 -4.789 1.00 10.00 C ATOM 221 O LEU A 15 8.814 -1.019 -4.861 1.00 10.00 O ATOM 222 CB LEU A 15 8.381 1.652 -2.765 1.00 10.00 C ATOM 223 CG LEU A 15 9.139 2.632 -1.861 1.00 10.00 C ATOM 224 CD1 LEU A 15 8.451 2.703 -0.497 1.00 10.00 C ATOM 225 CD2 LEU A 15 10.583 2.154 -1.674 1.00 10.00 C ATOM 0 H LEU A 15 9.542 3.163 -4.211 1.00 10.00 H new ATOM 0 HA LEU A 15 10.115 0.469 -3.362 1.00 10.00 H new ATOM 0 HB2 LEU A 15 7.550 2.162 -3.253 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.954 0.847 -2.167 1.00 10.00 H new ATOM 0 HG LEU A 15 9.141 3.619 -2.324 1.00 10.00 H new ATOM 0 HD11 LEU A 15 8.989 3.399 0.146 1.00 10.00 H new ATOM 0 HD12 LEU A 15 7.424 3.046 -0.625 1.00 10.00 H new ATOM 0 HD13 LEU A 15 8.448 1.714 -0.039 1.00 10.00 H new ATOM 0 HD21 LEU A 15 11.117 2.853 -1.031 1.00 10.00 H new ATOM 0 HD22 LEU A 15 10.582 1.166 -1.214 1.00 10.00 H new ATOM 0 HD23 LEU A 15 11.078 2.102 -2.644 1.00 10.00 H new ATOM 237 N GLN A 16 7.658 0.721 -5.543 1.00 10.00 N ATOM 238 CA GLN A 16 6.893 -0.116 -6.512 1.00 10.00 C ATOM 239 C GLN A 16 7.843 -1.077 -7.226 1.00 10.00 C ATOM 240 O GLN A 16 7.607 -2.267 -7.289 1.00 10.00 O ATOM 241 CB GLN A 16 6.289 0.875 -7.507 1.00 10.00 C ATOM 242 CG GLN A 16 4.764 0.759 -7.482 1.00 10.00 C ATOM 243 CD GLN A 16 4.166 1.635 -8.584 1.00 10.00 C ATOM 244 OE1 GLN A 16 4.724 2.781 -8.864 1.00 10.00 O flip ATOM 245 NE2 GLN A 16 3.182 1.273 -9.197 1.00 10.00 N flip ATOM 0 H GLN A 16 7.409 1.710 -5.530 1.00 10.00 H new ATOM 0 HA GLN A 16 6.126 -0.719 -6.026 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.591 1.891 -7.253 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.663 0.673 -8.511 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.466 -0.279 -7.626 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.381 1.068 -6.509 1.00 10.00 H new ATOM 0 HE21 GLN A 16 2.746 0.377 -8.978 1.00 10.00 H new ATOM 0 HE22 GLN A 16 2.792 1.865 -9.931 1.00 10.00 H new ATOM 254 N GLY A 17 8.919 -0.569 -7.760 1.00 10.00 N ATOM 255 CA GLY A 17 9.888 -1.453 -8.463 1.00 10.00 C ATOM 256 C GLY A 17 10.283 -2.601 -7.536 1.00 10.00 C ATOM 257 O GLY A 17 10.077 -3.758 -7.845 1.00 10.00 O ATOM 0 H GLY A 17 9.168 0.420 -7.740 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.444 -1.845 -9.378 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.771 -0.885 -8.755 1.00 10.00 H new ATOM 261 N TYR A 18 10.846 -2.290 -6.397 1.00 10.00 N ATOM 262 CA TYR A 18 11.250 -3.365 -5.447 1.00 10.00 C ATOM 263 C TYR A 18 10.186 -4.464 -5.413 1.00 10.00 C ATOM 264 O TYR A 18 10.458 -5.613 -5.701 1.00 10.00 O ATOM 265 CB TYR A 18 11.355 -2.676 -4.087 1.00 10.00 C ATOM 266 CG TYR A 18 12.534 -3.239 -3.331 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.757 -3.426 -3.986 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.404 -3.575 -1.978 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.851 -3.953 -3.289 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.499 -4.101 -1.280 1.00 10.00 C ATOM 271 CZ TYR A 18 14.722 -4.289 -1.936 1.00 10.00 C ATOM 272 OH TYR A 18 15.800 -4.808 -1.249 1.00 10.00 O ATOM 0 H TYR A 18 11.043 -1.339 -6.085 1.00 10.00 H new ATOM 0 HA TYR A 18 12.188 -3.839 -5.734 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.474 -1.601 -4.220 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.438 -2.828 -3.518 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.857 -3.164 -5.029 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.461 -3.429 -1.473 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.794 -4.100 -3.795 1.00 10.00 H new ATOM 0 HE2 TYR A 18 13.400 -4.361 -0.237 1.00 10.00 H new ATOM 0 HH TYR A 18 15.831 -5.779 -1.375 1.00 10.00 H new ATOM 282 N THR A 19 8.976 -4.119 -5.072 1.00 10.00 N ATOM 283 CA THR A 19 7.897 -5.146 -5.030 1.00 10.00 C ATOM 284 C THR A 19 7.893 -5.941 -6.338 1.00 10.00 C ATOM 285 O THR A 19 7.730 -7.145 -6.346 1.00 10.00 O ATOM 286 CB THR A 19 6.599 -4.348 -4.866 1.00 10.00 C ATOM 287 OG1 THR A 19 6.274 -4.257 -3.486 1.00 10.00 O ATOM 288 CG2 THR A 19 5.459 -5.044 -5.614 1.00 10.00 C ATOM 0 H THR A 19 8.688 -3.173 -4.821 1.00 10.00 H new ATOM 0 HA THR A 19 8.028 -5.865 -4.222 1.00 10.00 H new ATOM 0 HB THR A 19 6.738 -3.348 -5.278 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.445 -3.746 -3.378 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.540 -4.470 -5.492 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.707 -5.112 -6.673 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.317 -6.046 -5.210 1.00 10.00 H new ATOM 296 N VAL A 20 8.074 -5.273 -7.444 1.00 10.00 N ATOM 297 CA VAL A 20 8.084 -5.985 -8.754 1.00 10.00 C ATOM 298 C VAL A 20 9.348 -6.837 -8.883 1.00 10.00 C ATOM 299 O VAL A 20 9.361 -7.845 -9.560 1.00 10.00 O ATOM 300 CB VAL A 20 8.073 -4.875 -9.805 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.020 -5.495 -11.202 1.00 10.00 C ATOM 302 CG2 VAL A 20 6.845 -3.987 -9.596 1.00 10.00 C ATOM 0 H VAL A 20 8.216 -4.264 -7.498 1.00 10.00 H new ATOM 0 HA VAL A 20 7.236 -6.660 -8.865 1.00 10.00 H new ATOM 0 HB VAL A 20 8.978 -4.275 -9.708 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.012 -4.703 -11.951 1.00 10.00 H new ATOM 0 HG12 VAL A 20 8.894 -6.128 -11.352 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.116 -6.096 -11.299 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.837 -3.195 -10.345 1.00 10.00 H new ATOM 0 HG22 VAL A 20 5.941 -4.588 -9.693 1.00 10.00 H new ATOM 0 HG23 VAL A 20 6.881 -3.544 -8.601 1.00 10.00 H new ATOM 312 N GLU A 21 10.411 -6.447 -8.233 1.00 10.00 N ATOM 313 CA GLU A 21 11.667 -7.249 -8.319 1.00 10.00 C ATOM 314 C GLU A 21 11.663 -8.321 -7.234 1.00 10.00 C ATOM 315 O GLU A 21 11.573 -9.501 -7.505 1.00 10.00 O ATOM 316 CB GLU A 21 12.822 -6.270 -8.079 1.00 10.00 C ATOM 317 CG GLU A 21 12.354 -4.842 -8.329 1.00 10.00 C ATOM 318 CD GLU A 21 13.531 -3.992 -8.812 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.660 -4.395 -8.586 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.284 -2.950 -9.398 1.00 10.00 O ATOM 0 H GLU A 21 10.465 -5.613 -7.649 1.00 10.00 H new ATOM 0 HA GLU A 21 11.762 -7.743 -9.286 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.187 -6.368 -7.057 1.00 10.00 H new ATOM 0 HB3 GLU A 21 13.656 -6.509 -8.739 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.558 -4.835 -9.073 1.00 10.00 H new ATOM 0 HG3 GLU A 21 11.939 -4.419 -7.414 1.00 10.00 H new ATOM 327 N VAL A 22 11.752 -7.908 -6.001 1.00 10.00 N ATOM 328 CA VAL A 22 11.749 -8.885 -4.879 1.00 10.00 C ATOM 329 C VAL A 22 10.711 -9.980 -5.138 1.00 10.00 C ATOM 330 O VAL A 22 10.824 -11.084 -4.645 1.00 10.00 O ATOM 331 CB VAL A 22 11.373 -8.065 -3.646 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.670 -8.873 -2.388 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.193 -6.773 -3.618 1.00 10.00 C ATOM 0 H VAL A 22 11.827 -6.930 -5.721 1.00 10.00 H new ATOM 0 HA VAL A 22 12.711 -9.384 -4.758 1.00 10.00 H new ATOM 0 HB VAL A 22 10.311 -7.823 -3.686 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.402 -8.288 -1.508 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.089 -9.795 -2.402 1.00 10.00 H new ATOM 0 HG13 VAL A 22 12.732 -9.115 -2.353 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.923 -6.190 -2.738 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.255 -7.017 -3.580 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.986 -6.191 -4.516 1.00 10.00 H new ATOM 343 N LEU A 23A 9.700 -9.682 -5.908 1.00 10.00 N ATOM 344 CA LEU A 23A 8.657 -10.705 -6.198 1.00 10.00 C ATOM 345 C LEU A 23A 9.028 -11.509 -7.450 1.00 10.00 C ATOM 346 O LEU A 23A 8.718 -12.678 -7.561 1.00 10.00 O ATOM 347 CB LEU A 23A 7.377 -9.906 -6.433 1.00 10.00 C ATOM 348 CG LEU A 23A 6.215 -10.867 -6.690 1.00 10.00 C ATOM 349 CD1 LEU A 23A 5.447 -11.098 -5.387 1.00 10.00 C ATOM 350 CD2 LEU A 23A 5.275 -10.263 -7.735 1.00 10.00 C ATOM 0 H LEU A 23A 9.552 -8.774 -6.349 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.548 -11.423 -5.385 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.161 -9.281 -5.566 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.504 -9.237 -7.284 1.00 10.00 H new ATOM 0 HG LEU A 23A 6.604 -11.817 -7.057 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 4.619 -11.783 -5.569 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 6.116 -11.528 -4.642 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 5.058 -10.148 -5.020 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 4.447 -10.948 -7.918 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 4.886 -9.313 -7.369 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 5.821 -10.098 -8.664 1.00 10.00 H new ATOM 362 N ARG A 24 9.683 -10.890 -8.396 1.00 10.00 N ATOM 363 CA ARG A 24 10.061 -11.625 -9.641 1.00 10.00 C ATOM 364 C ARG A 24 11.416 -12.324 -9.471 1.00 10.00 C ATOM 365 O ARG A 24 11.999 -12.799 -10.425 1.00 10.00 O ATOM 366 CB ARG A 24 10.143 -10.552 -10.727 1.00 10.00 C ATOM 367 CG ARG A 24 9.544 -11.092 -12.027 1.00 10.00 C ATOM 368 CD ARG A 24 8.170 -10.460 -12.257 1.00 10.00 C ATOM 369 NE ARG A 24 7.532 -11.300 -13.308 1.00 10.00 N ATOM 370 CZ ARG A 24 6.609 -12.163 -12.981 1.00 10.00 C ATOM 371 NH1 ARG A 24 6.808 -12.985 -11.988 1.00 10.00 N ATOM 372 NH2 ARG A 24 5.488 -12.202 -13.647 1.00 10.00 N ATOM 0 H ARG A 24 9.972 -9.912 -8.362 1.00 10.00 H new ATOM 0 HA ARG A 24 9.339 -12.404 -9.888 1.00 10.00 H new ATOM 0 HB2 ARG A 24 9.605 -9.658 -10.411 1.00 10.00 H new ATOM 0 HB3 ARG A 24 11.181 -10.260 -10.887 1.00 10.00 H new ATOM 0 HG2 ARG A 24 10.204 -10.868 -12.865 1.00 10.00 H new ATOM 0 HG3 ARG A 24 9.453 -12.177 -11.975 1.00 10.00 H new ATOM 0 HD2 ARG A 24 7.579 -10.456 -11.341 1.00 10.00 H new ATOM 0 HD3 ARG A 24 8.261 -9.423 -12.581 1.00 10.00 H new ATOM 0 HE ARG A 24 7.816 -11.201 -14.283 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.685 -12.953 -11.467 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.087 -13.660 -11.732 1.00 10.00 H new ATOM 0 HH21 ARG A 24 5.333 -11.558 -14.423 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.766 -12.876 -13.392 1.00 10.00 H new ATOM 386 N GLN A 25 11.921 -12.401 -8.269 1.00 10.00 N ATOM 387 CA GLN A 25 13.233 -13.081 -8.061 1.00 10.00 C ATOM 388 C GLN A 25 13.494 -13.305 -6.566 1.00 10.00 C ATOM 389 O GLN A 25 14.583 -13.074 -6.081 1.00 10.00 O ATOM 390 CB GLN A 25 14.280 -12.135 -8.658 1.00 10.00 C ATOM 391 CG GLN A 25 13.971 -10.691 -8.257 1.00 10.00 C ATOM 392 CD GLN A 25 13.887 -10.590 -6.736 1.00 10.00 C ATOM 393 OE1 GLN A 25 12.854 -10.855 -6.157 1.00 10.00 O ATOM 394 NE2 GLN A 25 14.939 -10.216 -6.059 1.00 10.00 N ATOM 0 H GLN A 25 11.485 -12.025 -7.427 1.00 10.00 H new ATOM 0 HA GLN A 25 13.260 -14.063 -8.533 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.274 -12.413 -8.309 1.00 10.00 H new ATOM 0 HB3 GLN A 25 14.287 -12.226 -9.744 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.747 -10.024 -8.634 1.00 10.00 H new ATOM 0 HG3 GLN A 25 13.030 -10.371 -8.706 1.00 10.00 H new ATOM 0 HE21 GLN A 25 15.807 -9.994 -6.547 1.00 10.00 H new ATOM 0 HE22 GLN A 25 14.893 -10.146 -5.042 1.00 10.00 H new ATOM 403 N GLN A 26 12.499 -13.754 -5.840 1.00 10.00 N ATOM 404 CA GLN A 26 12.665 -14.006 -4.373 1.00 10.00 C ATOM 405 C GLN A 26 14.146 -14.013 -3.984 1.00 10.00 C ATOM 406 O GLN A 26 14.819 -15.019 -4.094 1.00 10.00 O ATOM 407 CB GLN A 26 12.038 -15.380 -4.135 1.00 10.00 C ATOM 408 CG GLN A 26 10.519 -15.282 -4.305 1.00 10.00 C ATOM 409 CD GLN A 26 9.833 -15.559 -2.966 1.00 10.00 C ATOM 410 OE1 GLN A 26 10.157 -14.949 -1.966 1.00 10.00 O ATOM 411 NE2 GLN A 26 8.889 -16.458 -2.903 1.00 10.00 N ATOM 0 H GLN A 26 11.569 -13.959 -6.205 1.00 10.00 H new ATOM 0 HA GLN A 26 12.193 -13.229 -3.771 1.00 10.00 H new ATOM 0 HB2 GLN A 26 12.448 -16.106 -4.838 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.281 -15.734 -3.133 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.247 -14.290 -4.666 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.180 -15.998 -5.054 1.00 10.00 H new ATOM 0 HE21 GLN A 26 8.616 -16.971 -3.742 1.00 10.00 H new ATOM 0 HE22 GLN A 26 8.424 -16.648 -2.015 1.00 10.00 H new ATOM 420 N PRO A 27 14.594 -12.871 -3.550 1.00 10.00 N ATOM 421 CA PRO A 27 16.009 -12.699 -3.142 1.00 10.00 C ATOM 422 C PRO A 27 16.292 -13.438 -1.833 1.00 10.00 C ATOM 423 O PRO A 27 15.435 -13.540 -0.977 1.00 10.00 O ATOM 424 CB PRO A 27 16.141 -11.190 -2.948 1.00 10.00 C ATOM 425 CG PRO A 27 14.754 -10.722 -2.653 1.00 10.00 C ATOM 426 CD PRO A 27 13.824 -11.639 -3.400 1.00 10.00 C ATOM 0 HA PRO A 27 16.713 -13.100 -3.871 1.00 10.00 H new ATOM 0 HB2 PRO A 27 16.821 -10.954 -2.129 1.00 10.00 H new ATOM 0 HB3 PRO A 27 16.539 -10.709 -3.842 1.00 10.00 H new ATOM 0 HG2 PRO A 27 14.553 -10.755 -1.582 1.00 10.00 H new ATOM 0 HG3 PRO A 27 14.618 -9.688 -2.971 1.00 10.00 H new ATOM 0 HD2 PRO A 27 12.901 -11.809 -2.846 1.00 10.00 H new ATOM 0 HD3 PRO A 27 13.543 -11.222 -4.367 1.00 10.00 H new ATOM 434 N PRO A 28 17.498 -13.922 -1.719 1.00 10.00 N ATOM 435 CA PRO A 28 17.914 -14.654 -0.499 1.00 10.00 C ATOM 436 C PRO A 28 18.028 -13.684 0.680 1.00 10.00 C ATOM 437 O PRO A 28 17.993 -14.076 1.829 1.00 10.00 O ATOM 438 CB PRO A 28 19.280 -15.226 -0.872 1.00 10.00 C ATOM 439 CG PRO A 28 19.786 -14.326 -1.951 1.00 10.00 C ATOM 440 CD PRO A 28 18.578 -13.837 -2.704 1.00 10.00 C ATOM 0 HA PRO A 28 17.208 -15.426 -0.194 1.00 10.00 H new ATOM 0 HB2 PRO A 28 19.953 -15.234 -0.015 1.00 10.00 H new ATOM 0 HB3 PRO A 28 19.196 -16.255 -1.221 1.00 10.00 H new ATOM 0 HG2 PRO A 28 20.344 -13.490 -1.529 1.00 10.00 H new ATOM 0 HG3 PRO A 28 20.466 -14.860 -2.614 1.00 10.00 H new ATOM 0 HD2 PRO A 28 18.715 -12.816 -3.061 1.00 10.00 H new ATOM 0 HD3 PRO A 28 18.373 -14.456 -3.578 1.00 10.00 H new ATOM 448 N ASP A 29 18.163 -12.416 0.398 1.00 10.00 N ATOM 449 CA ASP A 29 18.279 -11.411 1.493 1.00 10.00 C ATOM 450 C ASP A 29 17.932 -10.017 0.963 1.00 10.00 C ATOM 451 O ASP A 29 18.601 -9.487 0.097 1.00 10.00 O ATOM 452 CB ASP A 29 19.741 -11.472 1.938 1.00 10.00 C ATOM 453 CG ASP A 29 20.648 -11.563 0.710 1.00 10.00 C ATOM 454 OD1 ASP A 29 20.206 -11.179 -0.360 1.00 10.00 O ATOM 455 OD2 ASP A 29 21.771 -12.016 0.862 1.00 10.00 O ATOM 0 H ASP A 29 18.198 -12.032 -0.546 1.00 10.00 H new ATOM 0 HA ASP A 29 17.598 -11.616 2.319 1.00 10.00 H new ATOM 0 HB2 ASP A 29 19.991 -10.586 2.522 1.00 10.00 H new ATOM 0 HB3 ASP A 29 19.899 -12.335 2.584 1.00 10.00 H new ATOM 460 N LEU A 30 16.889 -9.421 1.472 1.00 10.00 N ATOM 461 CA LEU A 30 16.495 -8.062 0.995 1.00 10.00 C ATOM 462 C LEU A 30 17.580 -7.042 1.345 1.00 10.00 C ATOM 463 O LEU A 30 18.221 -6.488 0.474 1.00 10.00 O ATOM 464 CB LEU A 30 15.201 -7.746 1.744 1.00 10.00 C ATOM 465 CG LEU A 30 14.398 -6.705 0.965 1.00 10.00 C ATOM 466 CD1 LEU A 30 13.611 -7.397 -0.150 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.426 -6.001 1.914 1.00 10.00 C ATOM 0 H LEU A 30 16.291 -9.815 2.198 1.00 10.00 H new ATOM 0 HA LEU A 30 16.363 -8.024 -0.086 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.612 -8.654 1.871 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.429 -7.372 2.742 1.00 10.00 H new ATOM 0 HG LEU A 30 15.077 -5.973 0.528 1.00 10.00 H new ATOM 0 HD11 LEU A 30 13.038 -6.655 -0.706 1.00 10.00 H new ATOM 0 HD12 LEU A 30 14.303 -7.901 -0.825 1.00 10.00 H new ATOM 0 HD13 LEU A 30 12.931 -8.129 0.285 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.852 -5.258 1.361 1.00 10.00 H new ATOM 0 HD22 LEU A 30 12.747 -6.734 2.349 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.986 -5.509 2.709 1.00 10.00 H new ATOM 479 N VAL A 31 17.784 -6.791 2.613 1.00 10.00 N ATOM 480 CA VAL A 31 18.830 -5.804 3.029 1.00 10.00 C ATOM 481 C VAL A 31 19.910 -5.695 1.956 1.00 10.00 C ATOM 482 O VAL A 31 20.107 -4.658 1.355 1.00 10.00 O ATOM 483 CB VAL A 31 19.428 -6.381 4.309 1.00 10.00 C ATOM 484 CG1 VAL A 31 20.284 -5.316 4.998 1.00 10.00 C ATOM 485 CG2 VAL A 31 18.300 -6.812 5.249 1.00 10.00 C ATOM 0 H VAL A 31 17.272 -7.227 3.380 1.00 10.00 H new ATOM 0 HA VAL A 31 18.416 -4.806 3.176 1.00 10.00 H new ATOM 0 HB VAL A 31 20.048 -7.243 4.063 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.711 -5.728 5.912 1.00 10.00 H new ATOM 0 HG12 VAL A 31 21.087 -5.006 4.330 1.00 10.00 H new ATOM 0 HG13 VAL A 31 19.664 -4.454 5.244 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.726 -7.224 6.164 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.681 -5.949 5.494 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.688 -7.570 4.760 1.00 10.00 H new ATOM 495 N ASP A 32 20.602 -6.769 1.710 1.00 10.00 N ATOM 496 CA ASP A 32 21.665 -6.752 0.673 1.00 10.00 C ATOM 497 C ASP A 32 21.069 -6.320 -0.667 1.00 10.00 C ATOM 498 O ASP A 32 21.540 -5.393 -1.296 1.00 10.00 O ATOM 499 CB ASP A 32 22.160 -8.194 0.620 1.00 10.00 C ATOM 500 CG ASP A 32 23.682 -8.208 0.467 1.00 10.00 C ATOM 501 OD1 ASP A 32 24.342 -7.550 1.254 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.161 -8.877 -0.434 1.00 10.00 O ATOM 0 H ASP A 32 20.476 -7.662 2.186 1.00 10.00 H new ATOM 0 HA ASP A 32 22.473 -6.055 0.893 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.871 -8.722 1.529 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.695 -8.718 -0.215 1.00 10.00 H new ATOM 507 N PHE A 33 20.023 -6.970 -1.103 1.00 10.00 N ATOM 508 CA PHE A 33 19.392 -6.571 -2.392 1.00 10.00 C ATOM 509 C PHE A 33 19.101 -5.071 -2.356 1.00 10.00 C ATOM 510 O PHE A 33 19.679 -4.295 -3.092 1.00 10.00 O ATOM 511 CB PHE A 33 18.090 -7.372 -2.471 1.00 10.00 C ATOM 512 CG PHE A 33 17.394 -7.108 -3.790 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.912 -6.167 -4.692 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.224 -7.807 -4.111 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.260 -5.929 -5.910 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.573 -7.568 -5.326 1.00 10.00 C ATOM 517 CZ PHE A 33 16.090 -6.630 -6.226 1.00 10.00 C ATOM 0 H PHE A 33 19.581 -7.755 -0.625 1.00 10.00 H new ATOM 0 HA PHE A 33 20.028 -6.767 -3.255 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.302 -8.436 -2.370 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.435 -7.098 -1.644 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.814 -5.625 -4.448 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.823 -8.533 -3.419 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.660 -5.205 -6.604 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.670 -8.108 -5.569 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.587 -6.447 -7.164 1.00 10.00 H new ATOM 527 N ALA A 34 18.215 -4.659 -1.494 1.00 10.00 N ATOM 528 CA ALA A 34 17.889 -3.211 -1.392 1.00 10.00 C ATOM 529 C ALA A 34 19.174 -2.381 -1.437 1.00 10.00 C ATOM 530 O ALA A 34 19.189 -1.270 -1.929 1.00 10.00 O ATOM 531 CB ALA A 34 17.202 -3.055 -0.035 1.00 10.00 C ATOM 0 H ALA A 34 17.701 -5.265 -0.854 1.00 10.00 H new ATOM 0 HA ALA A 34 17.256 -2.870 -2.211 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.929 -2.011 0.117 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.304 -3.672 -0.009 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.883 -3.371 0.756 1.00 10.00 H new ATOM 537 N VAL A 35 20.255 -2.908 -0.926 1.00 10.00 N ATOM 538 CA VAL A 35 21.527 -2.147 -0.942 1.00 10.00 C ATOM 539 C VAL A 35 22.223 -2.315 -2.296 1.00 10.00 C ATOM 540 O VAL A 35 22.527 -1.352 -2.969 1.00 10.00 O ATOM 541 CB VAL A 35 22.350 -2.769 0.185 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.836 -2.616 -0.120 1.00 10.00 C ATOM 543 CG2 VAL A 35 22.025 -2.060 1.500 1.00 10.00 C ATOM 0 H VAL A 35 20.307 -3.833 -0.499 1.00 10.00 H new ATOM 0 HA VAL A 35 21.387 -1.075 -0.801 1.00 10.00 H new ATOM 0 HB VAL A 35 22.106 -3.828 0.270 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.420 -3.061 0.686 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.069 -3.120 -1.058 1.00 10.00 H new ATOM 0 HG13 VAL A 35 24.083 -1.558 -0.206 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.611 -2.502 2.306 1.00 10.00 H new ATOM 0 HG22 VAL A 35 22.269 -1.001 1.412 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.963 -2.171 1.720 1.00 10.00 H new ATOM 553 N GLU A 36 22.471 -3.530 -2.701 1.00 10.00 N ATOM 554 CA GLU A 36 23.143 -3.756 -4.013 1.00 10.00 C ATOM 555 C GLU A 36 22.348 -3.077 -5.133 1.00 10.00 C ATOM 556 O GLU A 36 22.908 -2.550 -6.074 1.00 10.00 O ATOM 557 CB GLU A 36 23.164 -5.283 -4.179 1.00 10.00 C ATOM 558 CG GLU A 36 22.654 -5.685 -5.568 1.00 10.00 C ATOM 559 CD GLU A 36 23.506 -6.833 -6.110 1.00 10.00 C ATOM 560 OE1 GLU A 36 24.703 -6.640 -6.252 1.00 10.00 O ATOM 561 OE2 GLU A 36 22.949 -7.886 -6.374 1.00 10.00 O ATOM 0 H GLU A 36 22.238 -4.376 -2.181 1.00 10.00 H new ATOM 0 HA GLU A 36 24.148 -3.336 -4.056 1.00 10.00 H new ATOM 0 HB2 GLU A 36 24.179 -5.655 -4.037 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.544 -5.746 -3.411 1.00 10.00 H new ATOM 0 HG2 GLU A 36 21.609 -5.989 -5.510 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.700 -4.832 -6.245 1.00 10.00 H new ATOM 568 N TYR A 37 21.048 -3.091 -5.043 1.00 10.00 N ATOM 569 CA TYR A 37 20.221 -2.451 -6.105 1.00 10.00 C ATOM 570 C TYR A 37 20.315 -0.925 -6.010 1.00 10.00 C ATOM 571 O TYR A 37 20.808 -0.267 -6.905 1.00 10.00 O ATOM 572 CB TYR A 37 18.793 -2.916 -5.826 1.00 10.00 C ATOM 573 CG TYR A 37 17.863 -2.331 -6.861 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.957 -2.738 -8.197 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.907 -1.381 -6.484 1.00 10.00 C ATOM 576 CE1 TYR A 37 17.095 -2.192 -9.157 1.00 10.00 C ATOM 577 CE2 TYR A 37 16.045 -0.836 -7.444 1.00 10.00 C ATOM 578 CZ TYR A 37 16.139 -1.242 -8.781 1.00 10.00 C ATOM 579 OH TYR A 37 15.290 -0.705 -9.727 1.00 10.00 O ATOM 0 H TYR A 37 20.522 -3.518 -4.281 1.00 10.00 H new ATOM 0 HA TYR A 37 20.554 -2.725 -7.106 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.742 -4.005 -5.850 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.486 -2.604 -4.828 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.694 -3.472 -8.488 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.834 -1.068 -5.453 1.00 10.00 H new ATOM 0 HE1 TYR A 37 17.168 -2.505 -10.188 1.00 10.00 H new ATOM 0 HE2 TYR A 37 15.308 -0.102 -7.153 1.00 10.00 H new ATOM 0 HH TYR A 37 14.502 -1.280 -9.823 1.00 10.00 H new ATOM 589 N PHE A 38 19.843 -0.358 -4.935 1.00 10.00 N ATOM 590 CA PHE A 38 19.901 1.124 -4.787 1.00 10.00 C ATOM 591 C PHE A 38 21.346 1.618 -4.911 1.00 10.00 C ATOM 592 O PHE A 38 21.653 2.462 -5.730 1.00 10.00 O ATOM 593 CB PHE A 38 19.348 1.404 -3.390 1.00 10.00 C ATOM 594 CG PHE A 38 17.844 1.267 -3.405 1.00 10.00 C ATOM 595 CD1 PHE A 38 17.102 1.806 -4.464 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.190 0.600 -2.361 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.707 1.679 -4.478 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.796 0.474 -2.375 1.00 10.00 C ATOM 599 CZ PHE A 38 15.055 1.012 -3.434 1.00 10.00 C ATOM 0 H PHE A 38 19.419 -0.856 -4.152 1.00 10.00 H new ATOM 0 HA PHE A 38 19.330 1.639 -5.560 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.780 0.708 -2.671 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.629 2.408 -3.071 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.606 2.320 -5.270 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.762 0.183 -1.545 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.135 2.095 -5.294 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.292 -0.038 -1.569 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.980 0.912 -3.446 1.00 10.00 H new ATOM 609 N THR A 39 22.239 1.104 -4.107 1.00 10.00 N ATOM 610 CA THR A 39 23.659 1.556 -4.192 1.00 10.00 C ATOM 611 C THR A 39 24.124 1.548 -5.650 1.00 10.00 C ATOM 612 O THR A 39 24.615 2.536 -6.158 1.00 10.00 O ATOM 613 CB THR A 39 24.457 0.543 -3.368 1.00 10.00 C ATOM 614 OG1 THR A 39 24.165 0.718 -1.989 1.00 10.00 O ATOM 615 CG2 THR A 39 25.953 0.756 -3.606 1.00 10.00 C ATOM 0 H THR A 39 22.048 0.395 -3.399 1.00 10.00 H new ATOM 0 HA THR A 39 23.791 2.571 -3.818 1.00 10.00 H new ATOM 0 HB THR A 39 24.183 -0.468 -3.671 1.00 10.00 H new ATOM 0 HG1 THR A 39 24.787 0.183 -1.453 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.521 0.034 -3.019 1.00 10.00 H new ATOM 0 HG22 THR A 39 26.176 0.619 -4.664 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.229 1.766 -3.305 1.00 10.00 H new ATOM 623 N ARG A 40 23.971 0.444 -6.327 1.00 10.00 N ATOM 624 CA ARG A 40 24.400 0.380 -7.755 1.00 10.00 C ATOM 625 C ARG A 40 23.575 1.358 -8.594 1.00 10.00 C ATOM 626 O ARG A 40 23.993 1.792 -9.649 1.00 10.00 O ATOM 627 CB ARG A 40 24.131 -1.062 -8.189 1.00 10.00 C ATOM 628 CG ARG A 40 24.743 -1.300 -9.571 1.00 10.00 C ATOM 629 CD ARG A 40 24.497 -2.748 -9.999 1.00 10.00 C ATOM 630 NE ARG A 40 23.036 -2.824 -10.284 1.00 10.00 N ATOM 631 CZ ARG A 40 22.612 -3.372 -11.391 1.00 10.00 C ATOM 632 NH1 ARG A 40 23.384 -4.188 -12.055 1.00 10.00 N ATOM 633 NH2 ARG A 40 21.413 -3.106 -11.833 1.00 10.00 N ATOM 0 H ARG A 40 23.568 -0.416 -5.955 1.00 10.00 H new ATOM 0 HA ARG A 40 25.447 0.652 -7.885 1.00 10.00 H new ATOM 0 HB2 ARG A 40 24.558 -1.757 -7.466 1.00 10.00 H new ATOM 0 HB3 ARG A 40 23.058 -1.251 -8.217 1.00 10.00 H new ATOM 0 HG2 ARG A 40 24.304 -0.616 -10.297 1.00 10.00 H new ATOM 0 HG3 ARG A 40 25.813 -1.094 -9.546 1.00 10.00 H new ATOM 0 HD2 ARG A 40 25.085 -3.004 -10.881 1.00 10.00 H new ATOM 0 HD3 ARG A 40 24.782 -3.446 -9.212 1.00 10.00 H new ATOM 0 HE ARG A 40 22.366 -2.447 -9.613 1.00 10.00 H new ATOM 0 HH11 ARG A 40 24.320 -4.399 -11.710 1.00 10.00 H new ATOM 0 HH12 ARG A 40 23.051 -4.615 -12.919 1.00 10.00 H new ATOM 0 HH21 ARG A 40 20.807 -2.470 -11.314 1.00 10.00 H new ATOM 0 HH22 ARG A 40 21.082 -3.534 -12.698 1.00 10.00 H new ATOM 647 N LEU A 41 22.406 1.707 -8.132 1.00 10.00 N ATOM 648 CA LEU A 41 21.553 2.657 -8.901 1.00 10.00 C ATOM 649 C LEU A 41 22.113 4.077 -8.786 1.00 10.00 C ATOM 650 O LEU A 41 21.979 4.883 -9.685 1.00 10.00 O ATOM 651 CB LEU A 41 20.175 2.571 -8.246 1.00 10.00 C ATOM 652 CG LEU A 41 19.110 2.352 -9.322 1.00 10.00 C ATOM 653 CD1 LEU A 41 19.041 0.866 -9.679 1.00 10.00 C ATOM 654 CD2 LEU A 41 17.750 2.813 -8.794 1.00 10.00 C ATOM 0 H LEU A 41 22.004 1.375 -7.255 1.00 10.00 H new ATOM 0 HA LEU A 41 21.515 2.413 -9.963 1.00 10.00 H new ATOM 0 HB2 LEU A 41 20.153 1.753 -7.526 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.966 3.487 -7.693 1.00 10.00 H new ATOM 0 HG LEU A 41 19.369 2.927 -10.211 1.00 10.00 H new ATOM 0 HD11 LEU A 41 18.282 0.711 -10.446 1.00 10.00 H new ATOM 0 HD12 LEU A 41 20.010 0.537 -10.055 1.00 10.00 H new ATOM 0 HD13 LEU A 41 18.782 0.290 -8.791 1.00 10.00 H new ATOM 0 HD21 LEU A 41 16.990 2.657 -9.560 1.00 10.00 H new ATOM 0 HD22 LEU A 41 17.491 2.239 -7.905 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.798 3.872 -8.541 1.00 10.00 H new ATOM 666 N ARG A 42 22.740 4.389 -7.684 1.00 10.00 N ATOM 667 CA ARG A 42 23.309 5.756 -7.510 1.00 10.00 C ATOM 668 C ARG A 42 24.340 6.041 -8.605 1.00 10.00 C ATOM 669 O ARG A 42 24.692 7.175 -8.860 1.00 10.00 O ATOM 670 CB ARG A 42 23.982 5.733 -6.138 1.00 10.00 C ATOM 671 CG ARG A 42 23.084 6.432 -5.115 1.00 10.00 C ATOM 672 CD ARG A 42 23.828 7.627 -4.509 1.00 10.00 C ATOM 673 NE ARG A 42 25.206 7.131 -4.238 1.00 10.00 N ATOM 674 CZ ARG A 42 26.236 7.881 -4.528 1.00 10.00 C ATOM 675 NH1 ARG A 42 26.536 8.126 -5.775 1.00 10.00 N ATOM 676 NH2 ARG A 42 26.966 8.383 -3.570 1.00 10.00 N ATOM 0 H ARG A 42 22.883 3.756 -6.897 1.00 10.00 H new ATOM 0 HA ARG A 42 22.547 6.532 -7.578 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.169 4.704 -5.830 1.00 10.00 H new ATOM 0 HB3 ARG A 42 24.950 6.231 -6.188 1.00 10.00 H new ATOM 0 HG2 ARG A 42 22.164 6.768 -5.593 1.00 10.00 H new ATOM 0 HG3 ARG A 42 22.798 5.733 -4.329 1.00 10.00 H new ATOM 0 HD2 ARG A 42 23.842 8.472 -5.197 1.00 10.00 H new ATOM 0 HD3 ARG A 42 23.345 7.969 -3.593 1.00 10.00 H new ATOM 0 HE ARG A 42 25.345 6.208 -3.827 1.00 10.00 H new ATOM 0 HH11 ARG A 42 25.966 7.732 -6.524 1.00 10.00 H new ATOM 0 HH12 ARG A 42 27.340 8.712 -6.001 1.00 10.00 H new ATOM 0 HH21 ARG A 42 26.732 8.190 -2.596 1.00 10.00 H new ATOM 0 HH22 ARG A 42 27.770 8.969 -3.795 1.00 10.00 H new ATOM 690 N GLU A 43 24.829 5.018 -9.252 1.00 10.00 N ATOM 691 CA GLU A 43 25.840 5.231 -10.327 1.00 10.00 C ATOM 692 C GLU A 43 25.146 5.604 -11.641 1.00 10.00 C ATOM 693 O GLU A 43 25.744 6.184 -12.526 1.00 10.00 O ATOM 694 CB GLU A 43 26.570 3.886 -10.447 1.00 10.00 C ATOM 695 CG GLU A 43 26.582 3.421 -11.906 1.00 10.00 C ATOM 696 CD GLU A 43 27.534 2.233 -12.056 1.00 10.00 C ATOM 697 OE1 GLU A 43 27.598 1.431 -11.139 1.00 10.00 O ATOM 698 OE2 GLU A 43 28.182 2.146 -13.085 1.00 10.00 O ATOM 0 H GLU A 43 24.573 4.045 -9.083 1.00 10.00 H new ATOM 0 HA GLU A 43 26.528 6.045 -10.101 1.00 10.00 H new ATOM 0 HB2 GLU A 43 27.592 3.984 -10.080 1.00 10.00 H new ATOM 0 HB3 GLU A 43 26.078 3.140 -9.824 1.00 10.00 H new ATOM 0 HG2 GLU A 43 25.577 3.136 -12.216 1.00 10.00 H new ATOM 0 HG3 GLU A 43 26.897 4.237 -12.556 1.00 10.00 H new ATOM 705 N ALA A 44 23.890 5.277 -11.777 1.00 10.00 N ATOM 706 CA ALA A 44 23.164 5.614 -13.035 1.00 10.00 C ATOM 707 C ALA A 44 23.408 7.066 -13.424 1.00 10.00 C ATOM 708 O ALA A 44 24.083 7.359 -14.388 1.00 10.00 O ATOM 709 CB ALA A 44 21.683 5.440 -12.709 1.00 10.00 C ATOM 0 H ALA A 44 23.335 4.791 -11.072 1.00 10.00 H new ATOM 0 HA ALA A 44 23.496 4.983 -13.860 1.00 10.00 H new ATOM 0 HB1 ALA A 44 21.087 5.672 -13.591 1.00 10.00 H new ATOM 0 HB2 ALA A 44 21.496 4.410 -12.405 1.00 10.00 H new ATOM 0 HB3 ALA A 44 21.407 6.114 -11.898 1.00 10.00 H new ATOM 715 N ARG A 45 22.828 7.967 -12.683 1.00 10.00 N ATOM 716 CA ARG A 45 22.970 9.414 -12.992 1.00 10.00 C ATOM 717 C ARG A 45 24.357 9.727 -13.566 1.00 10.00 C ATOM 718 O ARG A 45 25.262 10.109 -12.850 1.00 10.00 O ATOM 719 CB ARG A 45 22.772 10.124 -11.653 1.00 10.00 C ATOM 720 CG ARG A 45 21.369 10.731 -11.596 1.00 10.00 C ATOM 721 CD ARG A 45 21.476 12.246 -11.409 1.00 10.00 C ATOM 722 NE ARG A 45 20.072 12.738 -11.442 1.00 10.00 N ATOM 723 CZ ARG A 45 19.656 13.584 -10.539 1.00 10.00 C ATOM 724 NH1 ARG A 45 19.740 13.280 -9.273 1.00 10.00 N ATOM 725 NH2 ARG A 45 19.156 14.733 -10.903 1.00 10.00 N ATOM 0 H ARG A 45 22.254 7.758 -11.866 1.00 10.00 H new ATOM 0 HA ARG A 45 22.250 9.737 -13.744 1.00 10.00 H new ATOM 0 HB2 ARG A 45 22.908 9.419 -10.833 1.00 10.00 H new ATOM 0 HB3 ARG A 45 23.522 10.905 -11.530 1.00 10.00 H new ATOM 0 HG2 ARG A 45 20.826 10.505 -12.513 1.00 10.00 H new ATOM 0 HG3 ARG A 45 20.804 10.291 -10.774 1.00 10.00 H new ATOM 0 HD2 ARG A 45 21.959 12.494 -10.464 1.00 10.00 H new ATOM 0 HD3 ARG A 45 22.072 12.700 -12.200 1.00 10.00 H new ATOM 0 HE ARG A 45 19.435 12.414 -12.170 1.00 10.00 H new ATOM 0 HH11 ARG A 45 20.131 12.382 -8.989 1.00 10.00 H new ATOM 0 HH12 ARG A 45 19.415 13.941 -8.567 1.00 10.00 H new ATOM 0 HH21 ARG A 45 19.090 14.970 -11.893 1.00 10.00 H new ATOM 0 HH22 ARG A 45 18.831 15.394 -10.198 1.00 10.00 H new ATOM 739 N ARG A 46 24.524 9.577 -14.855 1.00 10.00 N ATOM 740 CA ARG A 46 25.847 9.870 -15.492 1.00 10.00 C ATOM 741 C ARG A 46 25.907 9.240 -16.886 1.00 10.00 C ATOM 742 O ARG A 46 25.436 9.870 -17.819 1.00 10.00 O ATOM 743 CB ARG A 46 26.897 9.236 -14.576 1.00 10.00 C ATOM 744 CG ARG A 46 28.239 9.160 -15.306 1.00 10.00 C ATOM 745 CD ARG A 46 29.244 10.092 -14.624 1.00 10.00 C ATOM 746 NE ARG A 46 30.391 9.219 -14.251 1.00 10.00 N ATOM 747 CZ ARG A 46 31.548 9.750 -13.968 1.00 10.00 C ATOM 748 NH1 ARG A 46 32.320 10.182 -14.928 1.00 10.00 N ATOM 749 NH2 ARG A 46 31.934 9.850 -12.726 1.00 10.00 N ATOM 750 OXT ARG A 46 26.422 8.140 -16.996 1.00 10.00 O ATOM 0 H ARG A 46 23.798 9.263 -15.499 1.00 10.00 H new ATOM 0 HA ARG A 46 26.013 10.941 -15.611 1.00 10.00 H new ATOM 0 HB2 ARG A 46 27.001 9.824 -13.664 1.00 10.00 H new ATOM 0 HB3 ARG A 46 26.578 8.238 -14.277 1.00 10.00 H new ATOM 0 HG2 ARG A 46 28.612 8.136 -15.297 1.00 10.00 H new ATOM 0 HG3 ARG A 46 28.114 9.445 -16.351 1.00 10.00 H new ATOM 0 HD2 ARG A 46 29.559 10.891 -15.295 1.00 10.00 H new ATOM 0 HD3 ARG A 46 28.808 10.567 -13.745 1.00 10.00 H new ATOM 0 HE ARG A 46 30.272 8.207 -14.217 1.00 10.00 H new ATOM 0 HH11 ARG A 46 32.018 10.104 -15.899 1.00 10.00 H new ATOM 0 HH12 ARG A 46 33.225 10.597 -14.707 1.00 10.00 H new ATOM 0 HH21 ARG A 46 31.331 9.513 -11.976 1.00 10.00 H new ATOM 0 HH22 ARG A 46 32.839 10.265 -12.505 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 -4.671 -22.810 -2.216 1.00 10.00 N ATOM 766 CA HIS B 1 -3.345 -23.127 -1.605 1.00 10.00 C ATOM 767 C HIS B 1 -2.215 -22.523 -2.446 1.00 10.00 C ATOM 768 O HIS B 1 -1.069 -22.909 -2.329 1.00 10.00 O ATOM 769 CB HIS B 1 -3.243 -24.658 -1.603 1.00 10.00 C ATOM 770 CG HIS B 1 -4.607 -25.273 -1.774 1.00 10.00 C ATOM 771 ND1 HIS B 1 -5.474 -25.455 -0.707 1.00 10.00 N ATOM 772 CD2 HIS B 1 -5.268 -25.748 -2.879 1.00 10.00 C ATOM 773 CE1 HIS B 1 -6.596 -26.020 -1.189 1.00 10.00 C ATOM 774 NE2 HIS B 1 -6.523 -26.221 -2.508 1.00 10.00 N ATOM 0 H1 HIS B 1 -5.427 -23.239 -1.646 1.00 10.00 H new ATOM 0 H2 HIS B 1 -4.802 -21.779 -2.245 1.00 10.00 H new ATOM 0 H3 HIS B 1 -4.708 -23.191 -3.183 1.00 10.00 H new ATOM 0 HA HIS B 1 -3.257 -22.715 -0.600 1.00 10.00 H new ATOM 0 HB2 HIS B 1 -2.585 -24.986 -2.408 1.00 10.00 H new ATOM 0 HB3 HIS B 1 -2.798 -24.998 -0.668 1.00 10.00 H new ATOM 0 HD2 HIS B 1 -4.874 -25.754 -3.884 1.00 10.00 H new ATOM 0 HE1 HIS B 1 -7.452 -26.280 -0.583 1.00 10.00 H new ATOM 0 HE2 HIS B 1 -7.234 -26.632 -3.113 1.00 10.00 H new ATOM 784 N MET B 2 -2.528 -21.582 -3.296 1.00 10.00 N ATOM 785 CA MET B 2 -1.468 -20.960 -4.143 1.00 10.00 C ATOM 786 C MET B 2 -2.046 -19.774 -4.921 1.00 10.00 C ATOM 787 O MET B 2 -1.666 -18.638 -4.713 1.00 10.00 O ATOM 788 CB MET B 2 -1.027 -22.072 -5.099 1.00 10.00 C ATOM 789 CG MET B 2 -0.454 -21.460 -6.380 1.00 10.00 C ATOM 790 SD MET B 2 0.279 -22.767 -7.397 1.00 10.00 S ATOM 791 CE MET B 2 -1.060 -22.893 -8.610 1.00 10.00 C ATOM 0 H MET B 2 -3.470 -21.217 -3.441 1.00 10.00 H new ATOM 0 HA MET B 2 -0.635 -20.576 -3.554 1.00 10.00 H new ATOM 0 HB2 MET B 2 -0.277 -22.700 -4.619 1.00 10.00 H new ATOM 0 HB3 MET B 2 -1.874 -22.714 -5.340 1.00 10.00 H new ATOM 0 HG2 MET B 2 -1.241 -20.950 -6.936 1.00 10.00 H new ATOM 0 HG3 MET B 2 0.299 -20.711 -6.133 1.00 10.00 H new ATOM 0 HE1 MET B 2 -0.812 -23.657 -9.347 1.00 10.00 H new ATOM 0 HE2 MET B 2 -1.986 -23.165 -8.103 1.00 10.00 H new ATOM 0 HE3 MET B 2 -1.189 -21.933 -9.111 1.00 10.00 H new ATOM 801 N GLY B 3 -2.962 -20.029 -5.814 1.00 10.00 N ATOM 802 CA GLY B 3 -3.563 -18.917 -6.604 1.00 10.00 C ATOM 803 C GLY B 3 -2.460 -17.961 -7.063 1.00 10.00 C ATOM 804 O GLY B 3 -1.290 -18.285 -7.024 1.00 10.00 O ATOM 0 H GLY B 3 -3.320 -20.959 -6.031 1.00 10.00 H new ATOM 0 HA2 GLY B 3 -4.095 -19.317 -7.467 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -4.294 -18.381 -5.999 1.00 10.00 H new ATOM 808 N HIS B 4 -2.825 -16.786 -7.497 1.00 10.00 N ATOM 809 CA HIS B 4 -1.795 -15.810 -7.958 1.00 10.00 C ATOM 810 C HIS B 4 -1.644 -14.680 -6.935 1.00 10.00 C ATOM 811 O HIS B 4 -0.904 -13.739 -7.141 1.00 10.00 O ATOM 812 CB HIS B 4 -2.329 -15.265 -9.283 1.00 10.00 C ATOM 813 CG HIS B 4 -1.276 -14.414 -9.938 1.00 10.00 C ATOM 814 ND1 HIS B 4 -1.529 -13.115 -10.353 1.00 10.00 N ATOM 815 CD2 HIS B 4 0.036 -14.660 -10.256 1.00 10.00 C ATOM 816 CE1 HIS B 4 -0.394 -12.635 -10.893 1.00 10.00 C ATOM 817 NE2 HIS B 4 0.591 -13.536 -10.859 1.00 10.00 N ATOM 0 H HIS B 4 -3.790 -16.459 -7.553 1.00 10.00 H new ATOM 0 HA HIS B 4 -0.813 -16.269 -8.073 1.00 10.00 H new ATOM 0 HB2 HIS B 4 -2.607 -16.088 -9.941 1.00 10.00 H new ATOM 0 HB3 HIS B 4 -3.230 -14.677 -9.109 1.00 10.00 H new ATOM 0 HD2 HIS B 4 0.559 -15.586 -10.067 1.00 10.00 H new ATOM 0 HE1 HIS B 4 -0.292 -11.642 -11.304 1.00 10.00 H new ATOM 0 HE2 HIS B 4 1.545 -13.424 -11.202 1.00 10.00 H new ATOM 825 N ILE B 5 -2.338 -14.768 -5.834 1.00 10.00 N ATOM 826 CA ILE B 5 -2.233 -13.700 -4.798 1.00 10.00 C ATOM 827 C ILE B 5 -1.513 -14.239 -3.558 1.00 10.00 C ATOM 828 O ILE B 5 -2.126 -14.774 -2.655 1.00 10.00 O ATOM 829 CB ILE B 5 -3.681 -13.324 -4.470 1.00 10.00 C ATOM 830 CG1 ILE B 5 -4.136 -12.197 -5.401 1.00 10.00 C ATOM 831 CG2 ILE B 5 -3.781 -12.850 -3.019 1.00 10.00 C ATOM 832 CD1 ILE B 5 -3.937 -12.621 -6.858 1.00 10.00 C ATOM 0 H ILE B 5 -2.973 -15.533 -5.606 1.00 10.00 H new ATOM 0 HA ILE B 5 -1.661 -12.838 -5.143 1.00 10.00 H new ATOM 0 HB ILE B 5 -4.317 -14.198 -4.608 1.00 10.00 H new ATOM 0 HG12 ILE B 5 -5.185 -11.964 -5.220 1.00 10.00 H new ATOM 0 HG13 ILE B 5 -3.568 -11.290 -5.195 1.00 10.00 H new ATOM 0 HG21 ILE B 5 -4.814 -12.584 -2.793 1.00 10.00 H new ATOM 0 HG22 ILE B 5 -3.458 -13.649 -2.352 1.00 10.00 H new ATOM 0 HG23 ILE B 5 -3.143 -11.978 -2.876 1.00 10.00 H new ATOM 0 HD11 ILE B 5 -4.262 -11.817 -7.518 1.00 10.00 H new ATOM 0 HD12 ILE B 5 -2.882 -12.832 -7.035 1.00 10.00 H new ATOM 0 HD13 ILE B 5 -4.525 -13.516 -7.060 1.00 10.00 H new ATOM 844 N GLN B 6 -0.215 -14.104 -3.509 1.00 10.00 N ATOM 845 CA GLN B 6 0.544 -14.609 -2.329 1.00 10.00 C ATOM 846 C GLN B 6 1.818 -13.785 -2.128 1.00 10.00 C ATOM 847 O GLN B 6 2.577 -13.562 -3.052 1.00 10.00 O ATOM 848 CB GLN B 6 0.887 -16.061 -2.669 1.00 10.00 C ATOM 849 CG GLN B 6 2.061 -16.095 -3.650 1.00 10.00 C ATOM 850 CD GLN B 6 2.138 -17.474 -4.306 1.00 10.00 C ATOM 851 OE1 GLN B 6 1.416 -17.756 -5.243 1.00 10.00 O ATOM 852 NE2 GLN B 6 2.990 -18.353 -3.852 1.00 10.00 N ATOM 0 H GLN B 6 0.352 -13.666 -4.235 1.00 10.00 H new ATOM 0 HA GLN B 6 -0.029 -14.534 -1.405 1.00 10.00 H new ATOM 0 HB2 GLN B 6 1.143 -16.607 -1.761 1.00 10.00 H new ATOM 0 HB3 GLN B 6 0.020 -16.557 -3.106 1.00 10.00 H new ATOM 0 HG2 GLN B 6 1.935 -15.325 -4.411 1.00 10.00 H new ATOM 0 HG3 GLN B 6 2.992 -15.877 -3.127 1.00 10.00 H new ATOM 0 HE21 GLN B 6 3.596 -18.117 -3.066 1.00 10.00 H new ATOM 0 HE22 GLN B 6 3.050 -19.275 -4.283 1.00 10.00 H new ATOM 861 N ILE B 7 2.061 -13.331 -0.929 1.00 10.00 N ATOM 862 CA ILE B 7 3.287 -12.522 -0.671 1.00 10.00 C ATOM 863 C ILE B 7 3.901 -12.907 0.678 1.00 10.00 C ATOM 864 O ILE B 7 3.208 -13.010 1.670 1.00 10.00 O ATOM 865 CB ILE B 7 2.806 -11.072 -0.649 1.00 10.00 C ATOM 866 CG1 ILE B 7 2.537 -10.609 -2.088 1.00 10.00 C ATOM 867 CG2 ILE B 7 3.879 -10.192 -0.001 1.00 10.00 C ATOM 868 CD1 ILE B 7 3.169 -9.235 -2.329 1.00 10.00 C ATOM 0 H ILE B 7 1.464 -13.485 -0.117 1.00 10.00 H new ATOM 0 HA ILE B 7 4.056 -12.684 -1.426 1.00 10.00 H new ATOM 0 HB ILE B 7 1.886 -10.992 -0.070 1.00 10.00 H new ATOM 0 HG12 ILE B 7 2.945 -11.333 -2.793 1.00 10.00 H new ATOM 0 HG13 ILE B 7 1.463 -10.560 -2.267 1.00 10.00 H new ATOM 0 HG21 ILE B 7 3.539 -9.157 0.016 1.00 10.00 H new ATOM 0 HG22 ILE B 7 4.061 -10.531 1.019 1.00 10.00 H new ATOM 0 HG23 ILE B 7 4.802 -10.261 -0.576 1.00 10.00 H new ATOM 0 HD11 ILE B 7 2.971 -8.918 -3.353 1.00 10.00 H new ATOM 0 HD12 ILE B 7 2.741 -8.511 -1.636 1.00 10.00 H new ATOM 0 HD13 ILE B 7 4.246 -9.297 -2.170 1.00 10.00 H new ATOM 880 N PRO B 8 5.191 -13.107 0.664 1.00 10.00 N ATOM 881 CA PRO B 8 5.919 -13.486 1.899 1.00 10.00 C ATOM 882 C PRO B 8 5.993 -12.301 2.866 1.00 10.00 C ATOM 883 O PRO B 8 6.159 -11.171 2.453 1.00 10.00 O ATOM 884 CB PRO B 8 7.304 -13.868 1.398 1.00 10.00 C ATOM 885 CG PRO B 8 7.457 -13.130 0.115 1.00 10.00 C ATOM 886 CD PRO B 8 6.086 -13.003 -0.490 1.00 10.00 C ATOM 0 HA PRO B 8 5.434 -14.293 2.449 1.00 10.00 H new ATOM 0 HB2 PRO B 8 8.076 -13.584 2.113 1.00 10.00 H new ATOM 0 HB3 PRO B 8 7.388 -14.944 1.248 1.00 10.00 H new ATOM 0 HG2 PRO B 8 7.895 -12.147 0.286 1.00 10.00 H new ATOM 0 HG3 PRO B 8 8.127 -13.664 -0.559 1.00 10.00 H new ATOM 0 HD2 PRO B 8 5.963 -12.052 -1.009 1.00 10.00 H new ATOM 0 HD3 PRO B 8 5.894 -13.791 -1.219 1.00 10.00 H new ATOM 894 N PRO B 9 5.867 -12.606 4.129 1.00 10.00 N ATOM 895 CA PRO B 9 5.919 -11.556 5.176 1.00 10.00 C ATOM 896 C PRO B 9 7.354 -11.053 5.357 1.00 10.00 C ATOM 897 O PRO B 9 8.260 -11.464 4.658 1.00 10.00 O ATOM 898 CB PRO B 9 5.432 -12.278 6.429 1.00 10.00 C ATOM 899 CG PRO B 9 5.727 -13.723 6.185 1.00 10.00 C ATOM 900 CD PRO B 9 5.664 -13.944 4.695 1.00 10.00 C ATOM 0 HA PRO B 9 5.319 -10.678 4.935 1.00 10.00 H new ATOM 0 HB2 PRO B 9 5.947 -11.915 7.318 1.00 10.00 H new ATOM 0 HB3 PRO B 9 4.366 -12.115 6.589 1.00 10.00 H new ATOM 0 HG2 PRO B 9 6.712 -13.986 6.572 1.00 10.00 H new ATOM 0 HG3 PRO B 9 5.003 -14.356 6.699 1.00 10.00 H new ATOM 0 HD2 PRO B 9 6.434 -14.639 4.362 1.00 10.00 H new ATOM 0 HD3 PRO B 9 4.704 -14.363 4.394 1.00 10.00 H new ATOM 908 N GLY B 10 7.570 -10.164 6.289 1.00 10.00 N ATOM 909 CA GLY B 10 8.946 -9.636 6.509 1.00 10.00 C ATOM 910 C GLY B 10 9.179 -8.427 5.602 1.00 10.00 C ATOM 911 O GLY B 10 9.719 -7.421 6.018 1.00 10.00 O ATOM 0 H GLY B 10 6.854 -9.781 6.906 1.00 10.00 H new ATOM 0 HA2 GLY B 10 9.075 -9.351 7.553 1.00 10.00 H new ATOM 0 HA3 GLY B 10 9.683 -10.411 6.297 1.00 10.00 H new ATOM 915 N LEU B 11 8.773 -8.515 4.364 1.00 10.00 N ATOM 916 CA LEU B 11 8.969 -7.370 3.430 1.00 10.00 C ATOM 917 C LEU B 11 8.110 -6.181 3.868 1.00 10.00 C ATOM 918 O LEU B 11 8.582 -5.067 3.979 1.00 10.00 O ATOM 919 CB LEU B 11 8.509 -7.893 2.067 1.00 10.00 C ATOM 920 CG LEU B 11 8.344 -6.725 1.091 1.00 10.00 C ATOM 921 CD1 LEU B 11 9.673 -6.457 0.382 1.00 10.00 C ATOM 922 CD2 LEU B 11 7.279 -7.079 0.052 1.00 10.00 C ATOM 0 H LEU B 11 8.314 -9.331 3.959 1.00 10.00 H new ATOM 0 HA LEU B 11 10.002 -7.023 3.407 1.00 10.00 H new ATOM 0 HB2 LEU B 11 9.236 -8.605 1.676 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.565 -8.427 2.172 1.00 10.00 H new ATOM 0 HG LEU B 11 8.039 -5.834 1.640 1.00 10.00 H new ATOM 0 HD11 LEU B 11 9.554 -5.625 -0.312 1.00 10.00 H new ATOM 0 HD12 LEU B 11 10.435 -6.207 1.120 1.00 10.00 H new ATOM 0 HD13 LEU B 11 9.978 -7.347 -0.168 1.00 10.00 H new ATOM 0 HD21 LEU B 11 7.160 -6.249 -0.644 1.00 10.00 H new ATOM 0 HD22 LEU B 11 7.587 -7.970 -0.495 1.00 10.00 H new ATOM 0 HD23 LEU B 11 6.331 -7.271 0.554 1.00 10.00 H new ATOM 934 N THR B 12 6.850 -6.410 4.118 1.00 10.00 N ATOM 935 CA THR B 12 5.961 -5.293 4.550 1.00 10.00 C ATOM 936 C THR B 12 6.558 -4.581 5.767 1.00 10.00 C ATOM 937 O THR B 12 6.282 -3.424 6.016 1.00 10.00 O ATOM 938 CB THR B 12 4.634 -5.964 4.913 1.00 10.00 C ATOM 939 OG1 THR B 12 3.864 -6.154 3.735 1.00 10.00 O ATOM 940 CG2 THR B 12 3.859 -5.080 5.893 1.00 10.00 C ATOM 0 H THR B 12 6.397 -7.321 4.042 1.00 10.00 H new ATOM 0 HA THR B 12 5.837 -4.538 3.774 1.00 10.00 H new ATOM 0 HB THR B 12 4.833 -6.929 5.379 1.00 10.00 H new ATOM 0 HG1 THR B 12 3.015 -6.585 3.965 1.00 10.00 H new ATOM 0 HG21 THR B 12 2.915 -5.561 6.149 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.449 -4.935 6.798 1.00 10.00 H new ATOM 0 HG23 THR B 12 3.660 -4.113 5.431 1.00 10.00 H new ATOM 948 N GLU B 13 7.373 -5.260 6.525 1.00 10.00 N ATOM 949 CA GLU B 13 7.982 -4.620 7.726 1.00 10.00 C ATOM 950 C GLU B 13 9.113 -3.675 7.309 1.00 10.00 C ATOM 951 O GLU B 13 9.057 -2.484 7.543 1.00 10.00 O ATOM 952 CB GLU B 13 8.532 -5.781 8.557 1.00 10.00 C ATOM 953 CG GLU B 13 7.380 -6.485 9.276 1.00 10.00 C ATOM 954 CD GLU B 13 7.941 -7.399 10.368 1.00 10.00 C ATOM 955 OE1 GLU B 13 8.902 -7.005 11.007 1.00 10.00 O ATOM 956 OE2 GLU B 13 7.399 -8.478 10.547 1.00 10.00 O ATOM 0 H GLU B 13 7.644 -6.230 6.366 1.00 10.00 H new ATOM 0 HA GLU B 13 7.261 -4.023 8.285 1.00 10.00 H new ATOM 0 HB2 GLU B 13 9.058 -6.486 7.913 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.256 -5.411 9.283 1.00 10.00 H new ATOM 0 HG2 GLU B 13 6.707 -5.748 9.714 1.00 10.00 H new ATOM 0 HG3 GLU B 13 6.795 -7.068 8.564 1.00 10.00 H new ATOM 963 N LEU B 14 10.140 -4.196 6.697 1.00 10.00 N ATOM 964 CA LEU B 14 11.274 -3.327 6.269 1.00 10.00 C ATOM 965 C LEU B 14 10.748 -2.077 5.557 1.00 10.00 C ATOM 966 O LEU B 14 11.121 -0.966 5.878 1.00 10.00 O ATOM 967 CB LEU B 14 12.093 -4.189 5.308 1.00 10.00 C ATOM 968 CG LEU B 14 13.201 -4.904 6.083 1.00 10.00 C ATOM 969 CD1 LEU B 14 12.759 -6.333 6.404 1.00 10.00 C ATOM 970 CD2 LEU B 14 14.474 -4.945 5.233 1.00 10.00 C ATOM 0 H LEU B 14 10.244 -5.186 6.474 1.00 10.00 H new ATOM 0 HA LEU B 14 11.869 -2.981 7.114 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.449 -4.919 4.818 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.526 -3.568 4.524 1.00 10.00 H new ATOM 0 HG LEU B 14 13.399 -4.367 7.011 1.00 10.00 H new ATOM 0 HD11 LEU B 14 13.549 -6.843 6.956 1.00 10.00 H new ATOM 0 HD12 LEU B 14 11.852 -6.306 7.009 1.00 10.00 H new ATOM 0 HD13 LEU B 14 12.561 -6.870 5.476 1.00 10.00 H new ATOM 0 HD21 LEU B 14 15.264 -5.454 5.785 1.00 10.00 H new ATOM 0 HD22 LEU B 14 14.275 -5.482 4.306 1.00 10.00 H new ATOM 0 HD23 LEU B 14 14.791 -3.928 5.003 1.00 10.00 H new ATOM 982 N LEU B 15 9.883 -2.248 4.595 1.00 10.00 N ATOM 983 CA LEU B 15 9.337 -1.066 3.869 1.00 10.00 C ATOM 984 C LEU B 15 8.585 -0.151 4.840 1.00 10.00 C ATOM 985 O LEU B 15 8.835 1.036 4.905 1.00 10.00 O ATOM 986 CB LEU B 15 8.382 -1.645 2.823 1.00 10.00 C ATOM 987 CG LEU B 15 9.135 -2.627 1.918 1.00 10.00 C ATOM 988 CD1 LEU B 15 8.445 -2.695 0.555 1.00 10.00 C ATOM 989 CD2 LEU B 15 10.580 -2.156 1.729 1.00 10.00 C ATOM 0 H LEU B 15 9.531 -3.152 4.281 1.00 10.00 H new ATOM 0 HA LEU B 15 10.122 -0.465 3.411 1.00 10.00 H new ATOM 0 HB2 LEU B 15 7.553 -2.153 3.316 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.953 -0.841 2.225 1.00 10.00 H new ATOM 0 HG LEU B 15 9.134 -3.614 2.381 1.00 10.00 H new ATOM 0 HD11 LEU B 15 8.980 -3.393 -0.089 1.00 10.00 H new ATOM 0 HD12 LEU B 15 7.417 -3.035 0.684 1.00 10.00 H new ATOM 0 HD13 LEU B 15 8.445 -1.706 0.097 1.00 10.00 H new ATOM 0 HD21 LEU B 15 11.110 -2.858 1.085 1.00 10.00 H new ATOM 0 HD22 LEU B 15 10.583 -1.168 1.269 1.00 10.00 H new ATOM 0 HD23 LEU B 15 11.076 -2.107 2.698 1.00 10.00 H new ATOM 1001 N GLN B 16 7.670 -0.694 5.598 1.00 10.00 N ATOM 1002 CA GLN B 16 6.913 0.150 6.566 1.00 10.00 C ATOM 1003 C GLN B 16 7.870 1.110 7.274 1.00 10.00 C ATOM 1004 O GLN B 16 7.640 2.301 7.337 1.00 10.00 O ATOM 1005 CB GLN B 16 6.307 -0.833 7.566 1.00 10.00 C ATOM 1006 CG GLN B 16 4.781 -0.717 7.537 1.00 10.00 C ATOM 1007 CD GLN B 16 4.181 -1.584 8.646 1.00 10.00 C ATOM 1008 OE1 GLN B 16 4.733 -2.733 8.931 1.00 10.00 O flip ATOM 1009 NE2 GLN B 16 3.200 -1.213 9.260 1.00 10.00 N flip ATOM 0 H GLN B 16 7.415 -1.682 5.589 1.00 10.00 H new ATOM 0 HA GLN B 16 6.147 0.755 6.080 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.609 -1.851 7.320 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.679 -0.623 8.569 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.482 0.323 7.672 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.400 -1.035 6.566 1.00 10.00 H new ATOM 0 HE21 GLN B 16 2.768 -0.316 9.038 1.00 10.00 H new ATOM 0 HE22 GLN B 16 2.808 -1.799 9.997 1.00 10.00 H new ATOM 1018 N GLY B 17 8.949 0.598 7.801 1.00 10.00 N ATOM 1019 CA GLY B 17 9.925 1.480 8.497 1.00 10.00 C ATOM 1020 C GLY B 17 10.322 2.622 7.564 1.00 10.00 C ATOM 1021 O GLY B 17 10.119 3.781 7.868 1.00 10.00 O ATOM 0 H GLY B 17 9.195 -0.392 7.779 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.486 1.878 9.412 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.807 0.909 8.788 1.00 10.00 H new ATOM 1025 N TYR B 18 10.883 2.304 6.426 1.00 10.00 N ATOM 1026 CA TYR B 18 11.288 3.373 5.470 1.00 10.00 C ATOM 1027 C TYR B 18 10.227 4.474 5.434 1.00 10.00 C ATOM 1028 O TYR B 18 10.503 5.625 5.715 1.00 10.00 O ATOM 1029 CB TYR B 18 11.384 2.677 4.112 1.00 10.00 C ATOM 1030 CG TYR B 18 12.563 3.235 3.351 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.788 3.424 4.001 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.429 3.565 1.997 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.881 3.944 3.298 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.523 4.085 1.293 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.749 4.274 1.944 1.00 10.00 C ATOM 1036 OH TYR B 18 15.826 4.788 1.251 1.00 10.00 O ATOM 0 H TYR B 18 11.077 1.351 6.119 1.00 10.00 H new ATOM 0 HA TYR B 18 12.229 3.845 5.752 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.500 1.602 4.248 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.465 2.830 3.546 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.890 3.169 5.045 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.484 3.419 1.496 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.826 4.091 3.800 1.00 10.00 H new ATOM 0 HE2 TYR B 18 13.421 4.340 0.249 1.00 10.00 H new ATOM 0 HH TYR B 18 15.859 5.760 1.372 1.00 10.00 H new ATOM 1046 N THR B 19 9.014 4.132 5.098 1.00 10.00 N ATOM 1047 CA THR B 19 7.939 5.163 5.054 1.00 10.00 C ATOM 1048 C THR B 19 7.940 5.964 6.359 1.00 10.00 C ATOM 1049 O THR B 19 7.781 7.169 6.361 1.00 10.00 O ATOM 1050 CB THR B 19 6.637 4.370 4.896 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.304 4.284 3.516 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.504 5.068 5.653 1.00 10.00 C ATOM 0 H THR B 19 8.721 3.186 4.853 1.00 10.00 H new ATOM 0 HA THR B 19 8.072 5.878 4.242 1.00 10.00 H new ATOM 0 HB THR B 19 6.774 3.369 5.305 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.473 3.776 3.411 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.582 4.498 5.535 1.00 10.00 H new ATOM 0 HG22 THR B 19 5.759 5.132 6.711 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.363 6.072 5.252 1.00 10.00 H new ATOM 1060 N VAL B 20 8.121 5.301 7.467 1.00 10.00 N ATOM 1061 CA VAL B 20 8.135 6.019 8.774 1.00 10.00 C ATOM 1062 C VAL B 20 9.402 6.868 8.896 1.00 10.00 C ATOM 1063 O VAL B 20 9.419 7.878 9.571 1.00 10.00 O ATOM 1064 CB VAL B 20 8.122 4.915 9.830 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.072 5.544 11.224 1.00 10.00 C ATOM 1066 CG2 VAL B 20 6.891 4.031 9.626 1.00 10.00 C ATOM 0 H VAL B 20 8.260 4.292 7.525 1.00 10.00 H new ATOM 0 HA VAL B 20 7.289 6.697 8.884 1.00 10.00 H new ATOM 0 HB VAL B 20 9.024 4.311 9.736 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.063 4.757 11.978 1.00 10.00 H new ATOM 0 HG12 VAL B 20 8.948 6.176 11.370 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.169 6.148 11.319 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.880 3.243 10.379 1.00 10.00 H new ATOM 0 HG22 VAL B 20 5.989 4.636 9.721 1.00 10.00 H new ATOM 0 HG23 VAL B 20 6.925 3.584 8.633 1.00 10.00 H new ATOM 1076 N GLU B 21 10.461 6.473 8.244 1.00 10.00 N ATOM 1077 CA GLU B 21 11.720 7.271 8.324 1.00 10.00 C ATOM 1078 C GLU B 21 11.716 8.338 7.234 1.00 10.00 C ATOM 1079 O GLU B 21 11.631 9.520 7.498 1.00 10.00 O ATOM 1080 CB GLU B 21 12.871 6.288 8.087 1.00 10.00 C ATOM 1081 CG GLU B 21 12.398 4.864 8.343 1.00 10.00 C ATOM 1082 CD GLU B 21 13.572 4.011 8.828 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.702 4.399 8.584 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.321 2.984 9.437 1.00 10.00 O ATOM 0 H GLU B 21 10.511 5.637 7.662 1.00 10.00 H new ATOM 0 HA GLU B 21 11.819 7.769 9.288 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.235 6.381 7.064 1.00 10.00 H new ATOM 0 HB3 GLU B 21 13.706 6.527 8.746 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.603 4.863 9.088 1.00 10.00 H new ATOM 0 HG3 GLU B 21 11.980 4.440 7.430 1.00 10.00 H new ATOM 1091 N VAL B 22 11.804 7.917 6.004 1.00 10.00 N ATOM 1092 CA VAL B 22 11.804 8.889 4.877 1.00 10.00 C ATOM 1093 C VAL B 22 10.772 9.991 5.131 1.00 10.00 C ATOM 1094 O VAL B 22 10.891 11.092 4.633 1.00 10.00 O ATOM 1095 CB VAL B 22 11.422 8.064 3.648 1.00 10.00 C ATOM 1096 CG1 VAL B 22 11.726 8.866 2.387 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.233 6.767 3.626 1.00 10.00 C ATOM 0 H VAL B 22 11.876 6.937 5.730 1.00 10.00 H new ATOM 0 HA VAL B 22 12.768 9.382 4.753 1.00 10.00 H new ATOM 0 HB VAL B 22 10.359 7.828 3.689 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.455 8.280 1.509 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.151 9.792 2.397 1.00 10.00 H new ATOM 0 HG13 VAL B 22 12.790 9.100 2.352 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.958 6.181 2.749 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.296 7.003 3.586 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.023 6.191 4.527 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.760 9.704 5.905 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.723 10.737 6.190 1.00 10.00 C ATOM 1109 C LEU B 23B 9.100 11.541 7.440 1.00 10.00 C ATOM 1110 O LEU B 23B 8.797 12.714 7.547 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.438 9.946 6.431 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.283 10.913 6.688 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 5.506 11.137 5.390 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 5.348 10.317 7.743 1.00 10.00 C ATOM 0 H LEU B 23B 9.607 8.800 6.352 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.618 11.453 5.374 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.216 9.320 5.567 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.564 9.279 7.284 1.00 10.00 H new ATOM 0 HG LEU B 23B 6.678 11.865 7.044 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 4.682 11.827 5.574 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 6.171 11.558 4.636 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 5.110 10.186 5.034 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 4.523 11.005 7.928 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 4.954 9.366 7.384 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 5.900 10.155 8.669 1.00 10.00 H new ATOM 1126 N ARG B 24 9.749 10.923 8.389 1.00 10.00 N ATOM 1127 CA ARG B 24 10.130 11.659 9.629 1.00 10.00 C ATOM 1128 C ARG B 24 11.486 12.355 9.455 1.00 10.00 C ATOM 1129 O ARG B 24 12.069 12.836 10.405 1.00 10.00 O ATOM 1130 CB ARG B 24 10.213 10.590 10.718 1.00 10.00 C ATOM 1131 CG ARG B 24 9.622 11.138 12.018 1.00 10.00 C ATOM 1132 CD ARG B 24 8.252 10.502 12.267 1.00 10.00 C ATOM 1133 NE ARG B 24 7.621 11.347 13.318 1.00 10.00 N ATOM 1134 CZ ARG B 24 6.700 12.213 12.993 1.00 10.00 C ATOM 1135 NH1 ARG B 24 6.889 13.019 11.985 1.00 10.00 N ATOM 1136 NH2 ARG B 24 5.590 12.271 13.676 1.00 10.00 N ATOM 0 H ARG B 24 10.031 9.943 8.360 1.00 10.00 H new ATOM 0 HA ARG B 24 9.409 12.439 9.874 1.00 10.00 H new ATOM 0 HB2 ARG B 24 9.671 9.697 10.408 1.00 10.00 H new ATOM 0 HB3 ARG B 24 11.251 10.295 10.874 1.00 10.00 H new ATOM 0 HG2 ARG B 24 10.291 10.924 12.852 1.00 10.00 H new ATOM 0 HG3 ARG B 24 9.525 12.222 11.957 1.00 10.00 H new ATOM 0 HD2 ARG B 24 7.651 10.489 11.357 1.00 10.00 H new ATOM 0 HD3 ARG B 24 8.351 9.468 12.598 1.00 10.00 H new ATOM 0 HE ARG B 24 7.908 11.249 14.292 1.00 10.00 H new ATOM 0 HH11 ARG B 24 7.757 12.973 11.451 1.00 10.00 H new ATOM 0 HH12 ARG B 24 6.169 13.696 11.731 1.00 10.00 H new ATOM 0 HH21 ARG B 24 5.442 11.640 14.464 1.00 10.00 H new ATOM 0 HH22 ARG B 24 4.870 12.948 13.422 1.00 10.00 H new ATOM 1150 N GLN B 25 11.988 12.423 8.251 1.00 10.00 N ATOM 1151 CA GLN B 25 13.301 13.099 8.036 1.00 10.00 C ATOM 1152 C GLN B 25 13.558 13.317 6.541 1.00 10.00 C ATOM 1153 O GLN B 25 14.646 13.083 6.054 1.00 10.00 O ATOM 1154 CB GLN B 25 14.348 12.155 8.636 1.00 10.00 C ATOM 1155 CG GLN B 25 14.035 10.710 8.243 1.00 10.00 C ATOM 1156 CD GLN B 25 13.949 10.600 6.722 1.00 10.00 C ATOM 1157 OE1 GLN B 25 12.916 10.866 6.143 1.00 10.00 O ATOM 1158 NE2 GLN B 25 14.998 10.219 6.046 1.00 10.00 N ATOM 0 H GLN B 25 11.550 12.043 7.412 1.00 10.00 H new ATOM 0 HA GLN B 25 13.332 14.083 8.503 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.342 12.429 8.283 1.00 10.00 H new ATOM 0 HB3 GLN B 25 14.357 12.252 9.722 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.809 10.043 8.623 1.00 10.00 H new ATOM 0 HG3 GLN B 25 13.094 10.395 8.694 1.00 10.00 H new ATOM 0 HE21 GLN B 25 15.866 9.996 6.534 1.00 10.00 H new ATOM 0 HE22 GLN B 25 14.950 10.144 5.030 1.00 10.00 H new ATOM 1167 N GLN B 26 12.562 13.763 5.815 1.00 10.00 N ATOM 1168 CA GLN B 26 12.726 14.006 4.346 1.00 10.00 C ATOM 1169 C GLN B 26 14.206 14.009 3.955 1.00 10.00 C ATOM 1170 O GLN B 26 14.881 15.014 4.060 1.00 10.00 O ATOM 1171 CB GLN B 26 12.105 15.380 4.103 1.00 10.00 C ATOM 1172 CG GLN B 26 10.588 15.291 4.284 1.00 10.00 C ATOM 1173 CD GLN B 26 9.898 15.554 2.946 1.00 10.00 C ATOM 1174 OE1 GLN B 26 10.224 14.941 1.949 1.00 10.00 O ATOM 1175 NE2 GLN B 26 8.949 16.447 2.880 1.00 10.00 N ATOM 0 H GLN B 26 11.633 13.971 6.181 1.00 10.00 H new ATOM 0 HA GLN B 26 12.251 13.227 3.750 1.00 10.00 H new ATOM 0 HB2 GLN B 26 12.523 16.108 4.798 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.343 15.726 3.097 1.00 10.00 H new ATOM 0 HG2 GLN B 26 10.313 14.305 4.659 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.256 16.018 5.025 1.00 10.00 H new ATOM 0 HE21 GLN B 26 8.674 16.962 3.716 1.00 10.00 H new ATOM 0 HE22 GLN B 26 8.482 16.630 1.992 1.00 10.00 H new ATOM 1184 N PRO B 27 14.651 12.865 3.526 1.00 10.00 N ATOM 1185 CA PRO B 27 16.065 12.689 3.116 1.00 10.00 C ATOM 1186 C PRO B 27 16.349 13.424 1.803 1.00 10.00 C ATOM 1187 O PRO B 27 15.491 13.527 0.950 1.00 10.00 O ATOM 1188 CB PRO B 27 16.193 11.179 2.928 1.00 10.00 C ATOM 1189 CG PRO B 27 14.803 10.713 2.638 1.00 10.00 C ATOM 1190 CD PRO B 27 13.878 11.634 3.384 1.00 10.00 C ATOM 0 HA PRO B 27 16.771 13.092 3.842 1.00 10.00 H new ATOM 0 HB2 PRO B 27 16.870 10.938 2.109 1.00 10.00 H new ATOM 0 HB3 PRO B 27 16.592 10.701 3.823 1.00 10.00 H new ATOM 0 HG2 PRO B 27 14.600 10.743 1.568 1.00 10.00 H new ATOM 0 HG3 PRO B 27 14.665 9.681 2.960 1.00 10.00 H new ATOM 0 HD2 PRO B 27 12.953 11.804 2.833 1.00 10.00 H new ATOM 0 HD3 PRO B 27 13.600 11.222 4.354 1.00 10.00 H new ATOM 1198 N PRO B 28 17.558 13.903 1.685 1.00 10.00 N ATOM 1199 CA PRO B 28 17.974 14.627 0.462 1.00 10.00 C ATOM 1200 C PRO B 28 18.083 13.651 -0.713 1.00 10.00 C ATOM 1201 O PRO B 28 18.049 14.041 -1.863 1.00 10.00 O ATOM 1202 CB PRO B 28 19.343 15.196 0.829 1.00 10.00 C ATOM 1203 CG PRO B 28 19.848 14.298 1.911 1.00 10.00 C ATOM 1204 CD PRO B 28 18.640 13.817 2.668 1.00 10.00 C ATOM 0 HA PRO B 28 17.270 15.400 0.155 1.00 10.00 H new ATOM 0 HB2 PRO B 28 20.014 15.198 -0.030 1.00 10.00 H new ATOM 0 HB3 PRO B 28 19.264 16.227 1.174 1.00 10.00 H new ATOM 0 HG2 PRO B 28 20.402 13.458 1.491 1.00 10.00 H new ATOM 0 HG3 PRO B 28 20.531 14.832 2.571 1.00 10.00 H new ATOM 0 HD2 PRO B 28 18.773 12.797 3.029 1.00 10.00 H new ATOM 0 HD3 PRO B 28 18.440 14.440 3.540 1.00 10.00 H new ATOM 1212 N ASP B 29 18.211 12.384 -0.427 1.00 10.00 N ATOM 1213 CA ASP B 29 18.320 11.373 -1.518 1.00 10.00 C ATOM 1214 C ASP B 29 17.973 9.982 -0.980 1.00 10.00 C ATOM 1215 O ASP B 29 18.646 9.452 -0.119 1.00 10.00 O ATOM 1216 CB ASP B 29 19.780 11.424 -1.969 1.00 10.00 C ATOM 1217 CG ASP B 29 20.690 11.512 -0.744 1.00 10.00 C ATOM 1218 OD1 ASP B 29 20.248 11.131 0.327 1.00 10.00 O ATOM 1219 OD2 ASP B 29 21.814 11.961 -0.896 1.00 10.00 O ATOM 0 H ASP B 29 18.245 12.004 0.519 1.00 10.00 H new ATOM 0 HA ASP B 29 17.636 11.579 -2.341 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.023 10.536 -2.552 1.00 10.00 H new ATOM 0 HB3 ASP B 29 19.941 12.285 -2.618 1.00 10.00 H new ATOM 1224 N LEU B 30 16.923 9.388 -1.480 1.00 10.00 N ATOM 1225 CA LEU B 30 16.527 8.034 -0.997 1.00 10.00 C ATOM 1226 C LEU B 30 17.608 7.006 -1.342 1.00 10.00 C ATOM 1227 O LEU B 30 18.250 6.454 -0.471 1.00 10.00 O ATOM 1228 CB LEU B 30 15.231 7.718 -1.740 1.00 10.00 C ATOM 1229 CG LEU B 30 14.431 6.681 -0.956 1.00 10.00 C ATOM 1230 CD1 LEU B 30 13.652 7.375 0.162 1.00 10.00 C ATOM 1231 CD2 LEU B 30 13.452 5.979 -1.900 1.00 10.00 C ATOM 0 H LEU B 30 16.322 9.783 -2.203 1.00 10.00 H new ATOM 0 HA LEU B 30 16.399 8.003 0.085 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.642 8.626 -1.867 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.455 7.341 -2.738 1.00 10.00 H new ATOM 0 HG LEU B 30 15.111 5.948 -0.522 1.00 10.00 H new ATOM 0 HD11 LEU B 30 13.081 6.634 0.722 1.00 10.00 H new ATOM 0 HD12 LEU B 30 14.349 7.878 0.832 1.00 10.00 H new ATOM 0 HD13 LEU B 30 12.971 8.108 -0.270 1.00 10.00 H new ATOM 0 HD21 LEU B 30 12.879 5.237 -1.344 1.00 10.00 H new ATOM 0 HD22 LEU B 30 12.773 6.714 -2.332 1.00 10.00 H new ATOM 0 HD23 LEU B 30 14.007 5.485 -2.698 1.00 10.00 H new ATOM 1243 N VAL B 31 17.809 6.746 -2.610 1.00 10.00 N ATOM 1244 CA VAL B 31 18.851 5.754 -3.026 1.00 10.00 C ATOM 1245 C VAL B 31 19.932 5.643 -1.955 1.00 10.00 C ATOM 1246 O VAL B 31 20.127 4.606 -1.352 1.00 10.00 O ATOM 1247 CB VAL B 31 19.448 6.328 -4.308 1.00 10.00 C ATOM 1248 CG1 VAL B 31 20.300 5.261 -4.999 1.00 10.00 C ATOM 1249 CG2 VAL B 31 18.317 6.761 -5.245 1.00 10.00 C ATOM 0 H VAL B 31 17.295 7.179 -3.378 1.00 10.00 H new ATOM 0 HA VAL B 31 18.434 4.757 -3.170 1.00 10.00 H new ATOM 0 HB VAL B 31 20.072 7.188 -4.065 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.726 5.672 -5.914 1.00 10.00 H new ATOM 0 HG12 VAL B 31 21.104 4.950 -4.332 1.00 10.00 H new ATOM 0 HG13 VAL B 31 19.678 4.400 -5.243 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.741 7.171 -6.162 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.695 5.899 -5.487 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.709 7.521 -4.754 1.00 10.00 H new ATOM 1259 N ASP B 32 20.629 6.714 -1.715 1.00 10.00 N ATOM 1260 CA ASP B 32 21.694 6.696 -0.680 1.00 10.00 C ATOM 1261 C ASP B 32 21.096 6.273 0.663 1.00 10.00 C ATOM 1262 O ASP B 32 21.561 5.343 1.292 1.00 10.00 O ATOM 1263 CB ASP B 32 22.196 8.136 -0.634 1.00 10.00 C ATOM 1264 CG ASP B 32 23.719 8.144 -0.489 1.00 10.00 C ATOM 1265 OD1 ASP B 32 24.374 7.480 -1.276 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.204 8.815 0.407 1.00 10.00 O ATOM 0 H ASP B 32 20.506 7.606 -2.194 1.00 10.00 H new ATOM 0 HA ASP B 32 22.499 5.994 -0.898 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.904 8.663 -1.543 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.738 8.665 0.202 1.00 10.00 H new ATOM 1271 N PHE B 33 20.056 6.932 1.099 1.00 10.00 N ATOM 1272 CA PHE B 33 19.425 6.539 2.391 1.00 10.00 C ATOM 1273 C PHE B 33 19.128 5.040 2.360 1.00 10.00 C ATOM 1274 O PHE B 33 19.705 4.263 3.095 1.00 10.00 O ATOM 1275 CB PHE B 33 18.126 7.348 2.468 1.00 10.00 C ATOM 1276 CG PHE B 33 17.431 7.092 3.789 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.947 6.154 4.694 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.264 7.797 4.109 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.297 5.922 5.913 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.614 7.565 5.327 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.130 6.627 6.228 1.00 10.00 C ATOM 0 H PHE B 33 19.619 7.720 0.620 1.00 10.00 H new ATOM 0 HA PHE B 33 20.063 6.734 3.253 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.344 8.411 2.363 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.468 7.074 1.643 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.847 5.609 4.451 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.865 8.521 3.415 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.696 5.199 6.609 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.714 8.110 5.571 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.627 6.447 7.167 1.00 10.00 H new ATOM 1291 N ALA B 34 18.238 4.630 1.503 1.00 10.00 N ATOM 1292 CA ALA B 34 17.906 3.181 1.406 1.00 10.00 C ATOM 1293 C ALA B 34 19.187 2.345 1.453 1.00 10.00 C ATOM 1294 O ALA B 34 19.197 1.236 1.947 1.00 10.00 O ATOM 1295 CB ALA B 34 17.217 3.024 0.049 1.00 10.00 C ATOM 0 H ALA B 34 17.724 5.236 0.863 1.00 10.00 H new ATOM 0 HA ALA B 34 17.273 2.845 2.227 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.940 1.980 -0.100 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.322 3.645 0.022 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.898 3.335 -0.743 1.00 10.00 H new ATOM 1301 N VAL B 35 20.270 2.867 0.941 1.00 10.00 N ATOM 1302 CA VAL B 35 21.541 2.102 0.957 1.00 10.00 C ATOM 1303 C VAL B 35 22.241 2.274 2.309 1.00 10.00 C ATOM 1304 O VAL B 35 22.539 1.315 2.989 1.00 10.00 O ATOM 1305 CB VAL B 35 22.362 2.718 -0.173 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.848 2.560 0.126 1.00 10.00 C ATOM 1307 CG2 VAL B 35 22.027 2.011 -1.486 1.00 10.00 C ATOM 0 H VAL B 35 20.325 3.791 0.513 1.00 10.00 H new ATOM 0 HA VAL B 35 21.398 1.030 0.820 1.00 10.00 H new ATOM 0 HB VAL B 35 22.124 3.778 -0.258 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.431 3.001 -0.683 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.086 3.065 1.062 1.00 10.00 H new ATOM 0 HG13 VAL B 35 24.091 1.501 0.213 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.612 2.449 -2.295 1.00 10.00 H new ATOM 0 HG22 VAL B 35 22.265 0.951 -1.399 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.965 2.128 -1.702 1.00 10.00 H new ATOM 1317 N GLU B 36 22.497 3.492 2.705 1.00 10.00 N ATOM 1318 CA GLU B 36 23.172 3.721 4.013 1.00 10.00 C ATOM 1319 C GLU B 36 22.377 3.051 5.140 1.00 10.00 C ATOM 1320 O GLU B 36 22.937 2.535 6.085 1.00 10.00 O ATOM 1321 CB GLU B 36 23.200 5.249 4.172 1.00 10.00 C ATOM 1322 CG GLU B 36 22.694 5.658 5.561 1.00 10.00 C ATOM 1323 CD GLU B 36 23.538 6.822 6.087 1.00 10.00 C ATOM 1324 OE1 GLU B 36 24.742 6.654 6.190 1.00 10.00 O ATOM 1325 OE2 GLU B 36 22.965 7.858 6.380 1.00 10.00 O ATOM 0 H GLU B 36 22.268 4.336 2.180 1.00 10.00 H new ATOM 0 HA GLU B 36 24.175 3.296 4.055 1.00 10.00 H new ATOM 0 HB2 GLU B 36 24.216 5.616 4.027 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.581 5.711 3.403 1.00 10.00 H new ATOM 0 HG2 GLU B 36 21.645 5.950 5.507 1.00 10.00 H new ATOM 0 HG3 GLU B 36 22.754 4.812 6.246 1.00 10.00 H new ATOM 1332 N TYR B 37 21.077 3.060 5.046 1.00 10.00 N ATOM 1333 CA TYR B 37 20.249 2.429 6.114 1.00 10.00 C ATOM 1334 C TYR B 37 20.337 0.903 6.026 1.00 10.00 C ATOM 1335 O TYR B 37 20.823 0.247 6.925 1.00 10.00 O ATOM 1336 CB TYR B 37 18.823 2.899 5.836 1.00 10.00 C ATOM 1337 CG TYR B 37 17.890 2.315 6.870 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.986 2.719 8.208 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.931 1.369 6.492 1.00 10.00 C ATOM 1340 CE1 TYR B 37 17.123 2.176 9.167 1.00 10.00 C ATOM 1341 CE2 TYR B 37 16.067 0.825 7.451 1.00 10.00 C ATOM 1342 CZ TYR B 37 16.163 1.229 8.789 1.00 10.00 C ATOM 1343 OH TYR B 37 15.313 0.694 9.734 1.00 10.00 O ATOM 0 H TYR B 37 20.551 3.476 4.277 1.00 10.00 H new ATOM 0 HA TYR B 37 20.585 2.707 7.113 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.776 3.988 5.862 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.515 2.590 4.837 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.726 3.450 8.500 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.857 1.058 5.460 1.00 10.00 H new ATOM 0 HE1 TYR B 37 17.197 2.487 10.198 1.00 10.00 H new ATOM 0 HE2 TYR B 37 15.327 0.094 7.159 1.00 10.00 H new ATOM 0 HH TYR B 37 14.533 1.278 9.841 1.00 10.00 H new ATOM 1353 N PHE B 38 19.864 0.334 4.952 1.00 10.00 N ATOM 1354 CA PHE B 38 19.915 -1.149 4.810 1.00 10.00 C ATOM 1355 C PHE B 38 21.357 -1.649 4.929 1.00 10.00 C ATOM 1356 O PHE B 38 21.662 -2.495 5.748 1.00 10.00 O ATOM 1357 CB PHE B 38 19.355 -1.434 3.416 1.00 10.00 C ATOM 1358 CG PHE B 38 17.853 -1.291 3.436 1.00 10.00 C ATOM 1359 CD1 PHE B 38 17.112 -1.821 4.500 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.197 -0.626 2.391 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.718 -1.687 4.519 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.804 -0.492 2.411 1.00 10.00 C ATOM 1363 CZ PHE B 38 15.064 -1.022 3.475 1.00 10.00 C ATOM 0 H PHE B 38 19.444 0.831 4.166 1.00 10.00 H new ATOM 0 HA PHE B 38 19.345 -1.657 5.588 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.787 -0.744 2.691 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.631 -2.440 3.101 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.616 -2.333 5.306 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.767 -0.217 1.570 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.147 -2.097 5.339 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.300 0.021 1.605 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.989 -0.918 3.490 1.00 10.00 H new ATOM 1373 N THR B 39 22.251 -1.138 4.125 1.00 10.00 N ATOM 1374 CA THR B 39 23.669 -1.596 4.206 1.00 10.00 C ATOM 1375 C THR B 39 24.141 -1.586 5.662 1.00 10.00 C ATOM 1376 O THR B 39 24.634 -2.573 6.171 1.00 10.00 O ATOM 1377 CB THR B 39 24.468 -0.590 3.375 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.169 -0.770 1.998 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.964 -0.808 3.608 1.00 10.00 C ATOM 0 H THR B 39 22.062 -0.427 3.419 1.00 10.00 H new ATOM 0 HA THR B 39 23.794 -2.613 3.835 1.00 10.00 H new ATOM 0 HB THR B 39 24.200 0.423 3.674 1.00 10.00 H new ATOM 0 HG1 THR B 39 24.791 -0.240 1.456 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.533 -0.091 3.016 1.00 10.00 H new ATOM 0 HG22 THR B 39 26.192 -0.668 4.665 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.235 -1.821 3.310 1.00 10.00 H new ATOM 1387 N ARG B 40 23.990 -0.479 6.339 1.00 10.00 N ATOM 1388 CA ARG B 40 24.426 -0.414 7.762 1.00 10.00 C ATOM 1389 C ARG B 40 23.596 -1.381 8.609 1.00 10.00 C ATOM 1390 O ARG B 40 24.015 -1.814 9.665 1.00 10.00 O ATOM 1391 CB ARG B 40 24.171 1.032 8.195 1.00 10.00 C ATOM 1392 CG ARG B 40 24.798 1.271 9.569 1.00 10.00 C ATOM 1393 CD ARG B 40 24.551 2.718 10.003 1.00 10.00 C ATOM 1394 NE ARG B 40 23.091 2.787 10.293 1.00 10.00 N ATOM 1395 CZ ARG B 40 22.666 3.357 11.389 1.00 10.00 C ATOM 1396 NH1 ARG B 40 23.444 4.171 12.049 1.00 10.00 N ATOM 1397 NH2 ARG B 40 21.460 3.112 11.822 1.00 10.00 N ATOM 0 H ARG B 40 23.585 0.380 5.968 1.00 10.00 H new ATOM 0 HA ARG B 40 25.472 -0.695 7.886 1.00 10.00 H new ATOM 0 HB2 ARG B 40 24.595 1.722 7.465 1.00 10.00 H new ATOM 0 HB3 ARG B 40 23.099 1.228 8.233 1.00 10.00 H new ATOM 0 HG2 ARG B 40 24.370 0.584 10.299 1.00 10.00 H new ATOM 0 HG3 ARG B 40 25.869 1.070 9.531 1.00 10.00 H new ATOM 0 HD2 ARG B 40 25.141 2.973 10.883 1.00 10.00 H new ATOM 0 HD3 ARG B 40 24.831 3.420 9.217 1.00 10.00 H new ATOM 0 HE ARG B 40 22.422 2.388 9.634 1.00 10.00 H new ATOM 0 HH11 ARG B 40 24.386 4.363 11.709 1.00 10.00 H new ATOM 0 HH12 ARG B 40 23.110 4.615 12.904 1.00 10.00 H new ATOM 0 HH21 ARG B 40 20.852 2.477 11.305 1.00 10.00 H new ATOM 0 HH22 ARG B 40 21.125 3.556 12.677 1.00 10.00 H new ATOM 1411 N LEU B 41 22.423 -1.723 8.153 1.00 10.00 N ATOM 1412 CA LEU B 41 21.565 -2.664 8.929 1.00 10.00 C ATOM 1413 C LEU B 41 22.115 -4.089 8.818 1.00 10.00 C ATOM 1414 O LEU B 41 21.963 -4.895 9.714 1.00 10.00 O ATOM 1415 CB LEU B 41 20.184 -2.567 8.278 1.00 10.00 C ATOM 1416 CG LEU B 41 19.123 -2.342 9.358 1.00 10.00 C ATOM 1417 CD1 LEU B 41 19.058 -0.855 9.711 1.00 10.00 C ATOM 1418 CD2 LEU B 41 17.759 -2.799 8.835 1.00 10.00 C ATOM 0 H LEU B 41 22.021 -1.392 7.276 1.00 10.00 H new ATOM 0 HA LEU B 41 21.532 -2.418 9.990 1.00 10.00 H new ATOM 0 HB2 LEU B 41 20.166 -1.747 7.560 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.966 -3.481 7.725 1.00 10.00 H new ATOM 0 HG LEU B 41 19.385 -2.915 10.247 1.00 10.00 H new ATOM 0 HD11 LEU B 41 18.302 -0.696 10.480 1.00 10.00 H new ATOM 0 HD12 LEU B 41 20.029 -0.527 10.083 1.00 10.00 H new ATOM 0 HD13 LEU B 41 18.797 -0.281 8.822 1.00 10.00 H new ATOM 0 HD21 LEU B 41 17.003 -2.639 9.603 1.00 10.00 H new ATOM 0 HD22 LEU B 41 17.500 -2.225 7.945 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.802 -3.859 8.583 1.00 10.00 H new ATOM 1430 N ARG B 42 22.754 -4.404 7.725 1.00 10.00 N ATOM 1431 CA ARG B 42 23.314 -5.776 7.558 1.00 10.00 C ATOM 1432 C ARG B 42 24.347 -6.062 8.652 1.00 10.00 C ATOM 1433 O ARG B 42 24.686 -7.198 8.918 1.00 10.00 O ATOM 1434 CB ARG B 42 23.982 -5.764 6.183 1.00 10.00 C ATOM 1435 CG ARG B 42 23.075 -6.460 5.167 1.00 10.00 C ATOM 1436 CD ARG B 42 23.812 -7.651 4.548 1.00 10.00 C ATOM 1437 NE ARG B 42 25.194 -7.160 4.287 1.00 10.00 N ATOM 1438 CZ ARG B 42 26.220 -7.917 4.565 1.00 10.00 C ATOM 1439 NH1 ARG B 42 26.537 -8.155 5.810 1.00 10.00 N ATOM 1440 NH2 ARG B 42 26.928 -8.437 3.600 1.00 10.00 N ATOM 0 H ARG B 42 22.913 -3.772 6.941 1.00 10.00 H new ATOM 0 HA ARG B 42 22.548 -6.548 7.634 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.175 -4.738 5.870 1.00 10.00 H new ATOM 0 HB3 ARG B 42 24.946 -6.270 6.231 1.00 10.00 H new ATOM 0 HG2 ARG B 42 22.160 -6.799 5.654 1.00 10.00 H new ATOM 0 HG3 ARG B 42 22.780 -5.758 4.387 1.00 10.00 H new ATOM 0 HD2 ARG B 42 23.819 -8.505 5.225 1.00 10.00 H new ATOM 0 HD3 ARG B 42 23.329 -7.978 3.627 1.00 10.00 H new ATOM 0 HE ARG B 42 25.338 -6.231 3.891 1.00 10.00 H new ATOM 0 HH11 ARG B 42 25.983 -7.749 6.564 1.00 10.00 H new ATOM 0 HH12 ARG B 42 27.339 -8.747 6.028 1.00 10.00 H new ATOM 0 HH21 ARG B 42 26.680 -8.252 2.628 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.730 -9.029 3.818 1.00 10.00 H new ATOM 1454 N GLU B 43 24.848 -5.040 9.287 1.00 10.00 N ATOM 1455 CA GLU B 43 25.860 -5.251 10.362 1.00 10.00 C ATOM 1456 C GLU B 43 25.165 -5.615 11.680 1.00 10.00 C ATOM 1457 O GLU B 43 25.761 -6.194 12.566 1.00 10.00 O ATOM 1458 CB GLU B 43 26.597 -3.909 10.475 1.00 10.00 C ATOM 1459 CG GLU B 43 26.591 -3.424 11.928 1.00 10.00 C ATOM 1460 CD GLU B 43 27.539 -2.232 12.072 1.00 10.00 C ATOM 1461 OE1 GLU B 43 27.590 -1.426 11.157 1.00 10.00 O ATOM 1462 OE2 GLU B 43 28.199 -2.146 13.095 1.00 10.00 O ATOM 0 H GLU B 43 24.601 -4.067 9.109 1.00 10.00 H new ATOM 0 HA GLU B 43 26.545 -6.069 10.139 1.00 10.00 H new ATOM 0 HB2 GLU B 43 27.623 -4.019 10.125 1.00 10.00 H new ATOM 0 HB3 GLU B 43 26.119 -3.168 9.834 1.00 10.00 H new ATOM 0 HG2 GLU B 43 25.582 -3.137 12.223 1.00 10.00 H new ATOM 0 HG3 GLU B 43 26.900 -4.230 12.593 1.00 10.00 H new ATOM 1469 N ALA B 44 23.911 -5.281 11.816 1.00 10.00 N ATOM 1470 CA ALA B 44 23.184 -5.608 13.078 1.00 10.00 C ATOM 1471 C ALA B 44 23.424 -7.058 13.475 1.00 10.00 C ATOM 1472 O ALA B 44 24.099 -7.351 14.440 1.00 10.00 O ATOM 1473 CB ALA B 44 21.705 -5.432 12.756 1.00 10.00 C ATOM 0 H ALA B 44 23.358 -4.796 11.109 1.00 10.00 H new ATOM 0 HA ALA B 44 23.519 -4.972 13.897 1.00 10.00 H new ATOM 0 HB1 ALA B 44 21.111 -5.657 13.642 1.00 10.00 H new ATOM 0 HB2 ALA B 44 21.520 -4.403 12.446 1.00 10.00 H new ATOM 0 HB3 ALA B 44 21.425 -6.110 11.950 1.00 10.00 H new ATOM 1479 N ARG B 45 22.839 -7.963 12.739 1.00 10.00 N ATOM 1480 CA ARG B 45 22.977 -9.408 13.056 1.00 10.00 C ATOM 1481 C ARG B 45 24.365 -9.722 13.628 1.00 10.00 C ATOM 1482 O ARG B 45 25.265 -10.110 12.910 1.00 10.00 O ATOM 1483 CB ARG B 45 22.776 -10.124 11.721 1.00 10.00 C ATOM 1484 CG ARG B 45 21.370 -10.726 11.670 1.00 10.00 C ATOM 1485 CD ARG B 45 21.471 -12.241 11.480 1.00 10.00 C ATOM 1486 NE ARG B 45 20.065 -12.727 11.526 1.00 10.00 N ATOM 1487 CZ ARG B 45 19.639 -13.578 10.634 1.00 10.00 C ATOM 1488 NH1 ARG B 45 19.708 -13.282 9.365 1.00 10.00 N ATOM 1489 NH2 ARG B 45 19.144 -14.725 11.010 1.00 10.00 N ATOM 0 H ARG B 45 22.265 -7.757 11.922 1.00 10.00 H new ATOM 0 HA ARG B 45 22.257 -9.724 13.811 1.00 10.00 H new ATOM 0 HB2 ARG B 45 22.913 -9.424 10.897 1.00 10.00 H new ATOM 0 HB3 ARG B 45 23.523 -10.908 11.601 1.00 10.00 H new ATOM 0 HG2 ARG B 45 20.832 -10.499 12.590 1.00 10.00 H new ATOM 0 HG3 ARG B 45 20.802 -10.283 10.852 1.00 10.00 H new ATOM 0 HD2 ARG B 45 21.944 -12.489 10.530 1.00 10.00 H new ATOM 0 HD3 ARG B 45 22.073 -12.698 12.265 1.00 10.00 H new ATOM 0 HE ARG B 45 19.434 -12.394 12.255 1.00 10.00 H new ATOM 0 HH11 ARG B 45 20.095 -12.385 9.071 1.00 10.00 H new ATOM 0 HH12 ARG B 45 19.375 -13.947 8.667 1.00 10.00 H new ATOM 0 HH21 ARG B 45 19.090 -14.957 12.002 1.00 10.00 H new ATOM 0 HH22 ARG B 45 18.811 -15.390 10.312 1.00 10.00 H new ATOM 1503 N ARG B 46 24.536 -9.567 14.915 1.00 10.00 N ATOM 1504 CA ARG B 46 25.860 -9.860 15.547 1.00 10.00 C ATOM 1505 C ARG B 46 25.926 -9.223 16.938 1.00 10.00 C ATOM 1506 O ARG B 46 25.458 -9.847 17.877 1.00 10.00 O ATOM 1507 CB ARG B 46 26.909 -9.233 14.624 1.00 10.00 C ATOM 1508 CG ARG B 46 28.254 -9.155 15.352 1.00 10.00 C ATOM 1509 CD ARG B 46 29.256 -10.094 14.673 1.00 10.00 C ATOM 1510 NE ARG B 46 30.410 -9.225 14.310 1.00 10.00 N ATOM 1511 CZ ARG B 46 31.565 -9.760 14.019 1.00 10.00 C ATOM 1512 NH1 ARG B 46 32.331 -10.216 14.972 1.00 10.00 N ATOM 1513 NH2 ARG B 46 31.953 -9.838 12.775 1.00 10.00 N ATOM 1514 OXT ARG B 46 26.443 -8.124 17.041 1.00 10.00 O ATOM 0 H ARG B 46 23.813 -9.249 15.560 1.00 10.00 H new ATOM 0 HA ARG B 46 26.025 -10.931 15.669 1.00 10.00 H new ATOM 0 HB2 ARG B 46 27.010 -9.827 13.715 1.00 10.00 H new ATOM 0 HB3 ARG B 46 26.591 -8.236 14.320 1.00 10.00 H new ATOM 0 HG2 ARG B 46 28.630 -8.132 15.336 1.00 10.00 H new ATOM 0 HG3 ARG B 46 28.130 -9.433 16.399 1.00 10.00 H new ATOM 0 HD2 ARG B 46 29.562 -10.897 15.343 1.00 10.00 H new ATOM 0 HD3 ARG B 46 28.822 -10.564 13.790 1.00 10.00 H new ATOM 0 HE ARG B 46 30.298 -8.211 14.289 1.00 10.00 H new ATOM 0 HH11 ARG B 46 32.027 -10.154 15.944 1.00 10.00 H new ATOM 0 HH12 ARG B 46 33.233 -10.634 14.745 1.00 10.00 H new ATOM 0 HH21 ARG B 46 31.354 -9.481 12.031 1.00 10.00 H new ATOM 0 HH22 ARG B 46 32.855 -10.256 12.547 1.00 10.00 H new TER 1528 ARG B 46