USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=13 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= -2.28 K(o=-2.3,f=-4.5!) USER MOD Single : A 1 HIS N :NH3+ -173:sc= -0.227 (180deg=-0.285) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 6 GLN : amide:sc= -0.0972 X(o=-0.097,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.52) USER MOD Single : A 18 TYR OH : rot -150:sc= -5.6! USER MOD Single : A 19 THR OG1 : rot 81:sc= -4.12! USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0976 F(o=-0.68,f=-0.098) USER MOD Single : A 26 GLN : amide:sc= -0.0502 K(o=-0.05,f=-2.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -130:sc= -1.32 USER MOD Single : B 1 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-4.3!) USER MOD Single : B 1 HIS N :NH3+ -173:sc= -0.202 (180deg=-0.263) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 6 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.46) USER MOD Single : B 18 TYR OH : rot -165:sc= -5.77! USER MOD Single : B 19 THR OG1 : rot 76:sc= -3.61! USER MOD Single : B 25 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.082) USER MOD Single : B 26 GLN : amide:sc= -0.047 K(o=-0.047,f=-2.5!) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot -130:sc= -1.38 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -6.517 10.220 3.748 1.00 10.00 N ATOM 2 CA HIS A 1 -7.767 9.852 4.475 1.00 10.00 C ATOM 3 C HIS A 1 -7.474 8.769 5.517 1.00 10.00 C ATOM 4 O HIS A 1 -8.119 8.691 6.544 1.00 10.00 O ATOM 5 CB HIS A 1 -8.709 9.317 3.397 1.00 10.00 C ATOM 6 CG HIS A 1 -8.257 7.948 2.968 1.00 10.00 C ATOM 7 ND1 HIS A 1 -8.500 6.817 3.731 1.00 10.00 N ATOM 8 CD2 HIS A 1 -7.576 7.514 1.858 1.00 10.00 C ATOM 9 CE1 HIS A 1 -7.973 5.767 3.076 1.00 10.00 C ATOM 10 NE2 HIS A 1 -7.398 6.136 1.928 1.00 10.00 N ATOM 0 H1 HIS A 1 -6.702 11.035 3.129 1.00 10.00 H new ATOM 0 H2 HIS A 1 -5.776 10.468 4.435 1.00 10.00 H new ATOM 0 H3 HIS A 1 -6.200 9.414 3.173 1.00 10.00 H new ATOM 0 HA HIS A 1 -8.198 10.698 5.010 1.00 10.00 H new ATOM 0 HB2 HIS A 1 -9.728 9.271 3.780 1.00 10.00 H new ATOM 0 HB3 HIS A 1 -8.720 9.992 2.541 1.00 10.00 H new ATOM 0 HD2 HIS A 1 -7.231 8.146 1.053 1.00 10.00 H new ATOM 0 HE1 HIS A 1 -8.010 4.749 3.435 1.00 10.00 H new ATOM 0 HE2 HIS A 1 -6.929 5.536 1.249 1.00 10.00 H new ATOM 20 N MET A 2 -6.505 7.932 5.260 1.00 10.00 N ATOM 21 CA MET A 2 -6.171 6.854 6.234 1.00 10.00 C ATOM 22 C MET A 2 -6.206 7.401 7.663 1.00 10.00 C ATOM 23 O MET A 2 -7.141 7.167 8.405 1.00 10.00 O ATOM 24 CB MET A 2 -4.755 6.410 5.863 1.00 10.00 C ATOM 25 CG MET A 2 -4.743 4.903 5.602 1.00 10.00 C ATOM 26 SD MET A 2 -5.181 4.022 7.121 1.00 10.00 S ATOM 27 CE MET A 2 -3.746 2.920 7.166 1.00 10.00 C ATOM 0 H MET A 2 -5.930 7.948 4.417 1.00 10.00 H new ATOM 0 HA MET A 2 -6.881 6.028 6.195 1.00 10.00 H new ATOM 0 HB2 MET A 2 -4.415 6.946 4.977 1.00 10.00 H new ATOM 0 HB3 MET A 2 -4.063 6.656 6.669 1.00 10.00 H new ATOM 0 HG2 MET A 2 -5.449 4.655 4.809 1.00 10.00 H new ATOM 0 HG3 MET A 2 -3.756 4.591 5.260 1.00 10.00 H new ATOM 0 HE1 MET A 2 -3.811 2.273 8.041 1.00 10.00 H new ATOM 0 HE2 MET A 2 -3.728 2.309 6.264 1.00 10.00 H new ATOM 0 HE3 MET A 2 -2.833 3.513 7.220 1.00 10.00 H new ATOM 37 N GLY A 3 -5.195 8.126 8.057 1.00 10.00 N ATOM 38 CA GLY A 3 -5.174 8.686 9.438 1.00 10.00 C ATOM 39 C GLY A 3 -3.937 9.568 9.614 1.00 10.00 C ATOM 40 O GLY A 3 -3.935 10.730 9.255 1.00 10.00 O ATOM 0 H GLY A 3 -4.383 8.355 7.483 1.00 10.00 H new ATOM 0 HA2 GLY A 3 -6.077 9.268 9.619 1.00 10.00 H new ATOM 0 HA3 GLY A 3 -5.164 7.878 10.169 1.00 10.00 H new ATOM 44 N HIS A 4 -2.886 9.028 10.166 1.00 10.00 N ATOM 45 CA HIS A 4 -1.648 9.837 10.367 1.00 10.00 C ATOM 46 C HIS A 4 -0.532 9.332 9.451 1.00 10.00 C ATOM 47 O HIS A 4 0.637 9.421 9.771 1.00 10.00 O ATOM 48 CB HIS A 4 -1.269 9.630 11.836 1.00 10.00 C ATOM 49 CG HIS A 4 -2.516 9.571 12.678 1.00 10.00 C ATOM 50 ND1 HIS A 4 -3.468 10.579 12.663 1.00 10.00 N ATOM 51 CD2 HIS A 4 -2.979 8.631 13.565 1.00 10.00 C ATOM 52 CE1 HIS A 4 -4.446 10.224 13.515 1.00 10.00 C ATOM 53 NE2 HIS A 4 -4.198 9.046 14.093 1.00 10.00 N ATOM 0 H HIS A 4 -2.829 8.062 10.487 1.00 10.00 H new ATOM 0 HA HIS A 4 -1.802 10.890 10.131 1.00 10.00 H new ATOM 0 HB2 HIS A 4 -0.699 8.708 11.948 1.00 10.00 H new ATOM 0 HB3 HIS A 4 -0.628 10.444 12.175 1.00 10.00 H new ATOM 0 HD2 HIS A 4 -2.474 7.710 13.815 1.00 10.00 H new ATOM 0 HE1 HIS A 4 -5.326 10.820 13.708 1.00 10.00 H new ATOM 0 HE2 HIS A 4 -4.777 8.556 14.775 1.00 10.00 H new ATOM 61 N ILE A 5 -0.882 8.800 8.311 1.00 10.00 N ATOM 62 CA ILE A 5 0.159 8.289 7.374 1.00 10.00 C ATOM 63 C ILE A 5 0.180 9.135 6.098 1.00 10.00 C ATOM 64 O ILE A 5 -0.847 9.552 5.601 1.00 10.00 O ATOM 65 CB ILE A 5 -0.262 6.855 7.060 1.00 10.00 C ATOM 66 CG1 ILE A 5 -0.222 6.019 8.345 1.00 10.00 C ATOM 67 CG2 ILE A 5 0.690 6.258 6.020 1.00 10.00 C ATOM 68 CD1 ILE A 5 1.168 5.401 8.526 1.00 10.00 C ATOM 0 H ILE A 5 -1.844 8.697 7.988 1.00 10.00 H new ATOM 0 HA ILE A 5 1.160 8.335 7.802 1.00 10.00 H new ATOM 0 HB ILE A 5 -1.276 6.851 6.660 1.00 10.00 H new ATOM 0 HG12 ILE A 5 -0.465 6.645 9.203 1.00 10.00 H new ATOM 0 HG13 ILE A 5 -0.975 5.233 8.300 1.00 10.00 H new ATOM 0 HG21 ILE A 5 0.389 5.235 5.796 1.00 10.00 H new ATOM 0 HG22 ILE A 5 0.653 6.854 5.108 1.00 10.00 H new ATOM 0 HG23 ILE A 5 1.706 6.259 6.414 1.00 10.00 H new ATOM 0 HD11 ILE A 5 1.187 4.809 9.441 1.00 10.00 H new ATOM 0 HD12 ILE A 5 1.395 4.760 7.674 1.00 10.00 H new ATOM 0 HD13 ILE A 5 1.913 6.194 8.591 1.00 10.00 H new ATOM 80 N GLN A 6 1.342 9.390 5.563 1.00 10.00 N ATOM 81 CA GLN A 6 1.425 10.209 4.319 1.00 10.00 C ATOM 82 C GLN A 6 2.168 9.437 3.225 1.00 10.00 C ATOM 83 O GLN A 6 3.056 8.652 3.498 1.00 10.00 O ATOM 84 CB GLN A 6 2.208 11.460 4.718 1.00 10.00 C ATOM 85 CG GLN A 6 1.310 12.692 4.575 1.00 10.00 C ATOM 86 CD GLN A 6 1.552 13.639 5.752 1.00 10.00 C ATOM 87 OE1 GLN A 6 1.973 14.763 5.567 1.00 10.00 O ATOM 88 NE2 GLN A 6 1.299 13.229 6.965 1.00 10.00 N ATOM 0 H GLN A 6 2.237 9.068 5.932 1.00 10.00 H new ATOM 0 HA GLN A 6 0.440 10.455 3.921 1.00 10.00 H new ATOM 0 HB2 GLN A 6 2.559 11.370 5.746 1.00 10.00 H new ATOM 0 HB3 GLN A 6 3.091 11.565 4.088 1.00 10.00 H new ATOM 0 HG2 GLN A 6 1.521 13.202 3.635 1.00 10.00 H new ATOM 0 HG3 GLN A 6 0.263 12.391 4.546 1.00 10.00 H new ATOM 0 HE21 GLN A 6 0.945 12.285 7.121 1.00 10.00 H new ATOM 0 HE22 GLN A 6 1.455 13.853 7.757 1.00 10.00 H new ATOM 97 N ILE A 7 1.815 9.655 1.988 1.00 10.00 N ATOM 98 CA ILE A 7 2.505 8.935 0.877 1.00 10.00 C ATOM 99 C ILE A 7 3.688 9.760 0.368 1.00 10.00 C ATOM 100 O ILE A 7 3.507 10.830 -0.180 1.00 10.00 O ATOM 101 CB ILE A 7 1.446 8.786 -0.214 1.00 10.00 C ATOM 102 CG1 ILE A 7 0.138 8.297 0.412 1.00 10.00 C ATOM 103 CG2 ILE A 7 1.922 7.769 -1.252 1.00 10.00 C ATOM 104 CD1 ILE A 7 0.426 7.111 1.333 1.00 10.00 C ATOM 0 H ILE A 7 1.080 10.299 1.697 1.00 10.00 H new ATOM 0 HA ILE A 7 2.903 7.971 1.193 1.00 10.00 H new ATOM 0 HB ILE A 7 1.283 9.750 -0.697 1.00 10.00 H new ATOM 0 HG12 ILE A 7 -0.332 9.103 0.976 1.00 10.00 H new ATOM 0 HG13 ILE A 7 -0.564 8.003 -0.369 1.00 10.00 H new ATOM 0 HG21 ILE A 7 1.166 7.663 -2.030 1.00 10.00 H new ATOM 0 HG22 ILE A 7 2.856 8.113 -1.697 1.00 10.00 H new ATOM 0 HG23 ILE A 7 2.084 6.805 -0.769 1.00 10.00 H new ATOM 0 HD11 ILE A 7 -0.505 6.762 1.779 1.00 10.00 H new ATOM 0 HD12 ILE A 7 0.877 6.303 0.756 1.00 10.00 H new ATOM 0 HD13 ILE A 7 1.112 7.421 2.121 1.00 10.00 H new ATOM 116 N PRO A 8 4.865 9.233 0.567 1.00 10.00 N ATOM 117 CA PRO A 8 6.096 9.930 0.123 1.00 10.00 C ATOM 118 C PRO A 8 6.215 9.895 -1.404 1.00 10.00 C ATOM 119 O PRO A 8 6.116 8.847 -2.011 1.00 10.00 O ATOM 120 CB PRO A 8 7.216 9.132 0.776 1.00 10.00 C ATOM 121 CG PRO A 8 6.638 7.778 0.994 1.00 10.00 C ATOM 122 CD PRO A 8 5.160 7.956 1.218 1.00 10.00 C ATOM 0 HA PRO A 8 6.113 10.984 0.401 1.00 10.00 H new ATOM 0 HB2 PRO A 8 8.097 9.088 0.135 1.00 10.00 H new ATOM 0 HB3 PRO A 8 7.529 9.585 1.717 1.00 10.00 H new ATOM 0 HG2 PRO A 8 6.822 7.138 0.131 1.00 10.00 H new ATOM 0 HG3 PRO A 8 7.102 7.295 1.854 1.00 10.00 H new ATOM 0 HD2 PRO A 8 4.587 7.140 0.778 1.00 10.00 H new ATOM 0 HD3 PRO A 8 4.916 7.981 2.280 1.00 10.00 H new ATOM 130 N PRO A 9 6.424 11.052 -1.974 1.00 10.00 N ATOM 131 CA PRO A 9 6.556 11.164 -3.449 1.00 10.00 C ATOM 132 C PRO A 9 7.912 10.625 -3.912 1.00 10.00 C ATOM 133 O PRO A 9 8.945 10.970 -3.374 1.00 10.00 O ATOM 134 CB PRO A 9 6.456 12.663 -3.704 1.00 10.00 C ATOM 135 CG PRO A 9 6.888 13.308 -2.424 1.00 10.00 C ATOM 136 CD PRO A 9 6.553 12.352 -1.307 1.00 10.00 C ATOM 0 HA PRO A 9 5.802 10.591 -3.989 1.00 10.00 H new ATOM 0 HB2 PRO A 9 7.096 12.965 -4.533 1.00 10.00 H new ATOM 0 HB3 PRO A 9 5.438 12.951 -3.966 1.00 10.00 H new ATOM 0 HG2 PRO A 9 7.957 13.519 -2.442 1.00 10.00 H new ATOM 0 HG3 PRO A 9 6.377 14.260 -2.282 1.00 10.00 H new ATOM 0 HD2 PRO A 9 7.336 12.335 -0.549 1.00 10.00 H new ATOM 0 HD3 PRO A 9 5.628 12.635 -0.804 1.00 10.00 H new ATOM 144 N GLY A 10 7.915 9.784 -4.910 1.00 10.00 N ATOM 145 CA GLY A 10 9.203 9.225 -5.411 1.00 10.00 C ATOM 146 C GLY A 10 9.597 8.005 -4.576 1.00 10.00 C ATOM 147 O GLY A 10 10.372 7.173 -5.003 1.00 10.00 O ATOM 0 H GLY A 10 7.081 9.460 -5.400 1.00 10.00 H new ATOM 0 HA2 GLY A 10 9.105 8.943 -6.459 1.00 10.00 H new ATOM 0 HA3 GLY A 10 9.985 9.983 -5.356 1.00 10.00 H new ATOM 151 N LEU A 11 9.070 7.890 -3.389 1.00 10.00 N ATOM 152 CA LEU A 11 9.417 6.722 -2.530 1.00 10.00 C ATOM 153 C LEU A 11 8.659 5.478 -3.001 1.00 10.00 C ATOM 154 O LEU A 11 9.234 4.565 -3.560 1.00 10.00 O ATOM 155 CB LEU A 11 8.972 7.118 -1.121 1.00 10.00 C ATOM 156 CG LEU A 11 10.162 7.698 -0.355 1.00 10.00 C ATOM 157 CD1 LEU A 11 10.269 9.199 -0.637 1.00 10.00 C ATOM 158 CD2 LEU A 11 9.963 7.475 1.147 1.00 10.00 C ATOM 0 H LEU A 11 8.414 8.553 -2.976 1.00 10.00 H new ATOM 0 HA LEU A 11 10.480 6.482 -2.569 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.168 7.852 -1.175 1.00 10.00 H new ATOM 0 HB3 LEU A 11 8.576 6.249 -0.595 1.00 10.00 H new ATOM 0 HG LEU A 11 11.077 7.201 -0.678 1.00 10.00 H new ATOM 0 HD11 LEU A 11 11.117 9.612 -0.091 1.00 10.00 H new ATOM 0 HD12 LEU A 11 10.413 9.359 -1.706 1.00 10.00 H new ATOM 0 HD13 LEU A 11 9.354 9.696 -0.315 1.00 10.00 H new ATOM 0 HD21 LEU A 11 10.812 7.889 1.692 1.00 10.00 H new ATOM 0 HD22 LEU A 11 9.048 7.971 1.470 1.00 10.00 H new ATOM 0 HD23 LEU A 11 9.888 6.407 1.349 1.00 10.00 H new ATOM 170 N THR A 12 7.373 5.437 -2.782 1.00 10.00 N ATOM 171 CA THR A 12 6.578 4.253 -3.219 1.00 10.00 C ATOM 172 C THR A 12 7.049 3.784 -4.595 1.00 10.00 C ATOM 173 O THR A 12 7.627 2.726 -4.739 1.00 10.00 O ATOM 174 CB THR A 12 5.131 4.753 -3.281 1.00 10.00 C ATOM 175 OG1 THR A 12 4.552 4.678 -1.986 1.00 10.00 O ATOM 176 CG2 THR A 12 4.325 3.889 -4.252 1.00 10.00 C ATOM 0 H THR A 12 6.838 6.172 -2.319 1.00 10.00 H new ATOM 0 HA THR A 12 6.686 3.405 -2.543 1.00 10.00 H new ATOM 0 HB THR A 12 5.120 5.786 -3.628 1.00 10.00 H new ATOM 0 HG1 THR A 12 3.627 4.999 -2.022 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.297 4.249 -4.292 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.769 3.948 -5.246 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.334 2.854 -3.911 1.00 10.00 H new ATOM 184 N GLU A 13 6.805 4.567 -5.604 1.00 10.00 N ATOM 185 CA GLU A 13 7.236 4.178 -6.977 1.00 10.00 C ATOM 186 C GLU A 13 8.632 3.550 -6.940 1.00 10.00 C ATOM 187 O GLU A 13 8.838 2.443 -7.398 1.00 10.00 O ATOM 188 CB GLU A 13 7.259 5.485 -7.769 1.00 10.00 C ATOM 189 CG GLU A 13 6.203 5.433 -8.874 1.00 10.00 C ATOM 190 CD GLU A 13 6.887 5.541 -10.238 1.00 10.00 C ATOM 191 OE1 GLU A 13 7.676 6.454 -10.413 1.00 10.00 O ATOM 192 OE2 GLU A 13 6.610 4.707 -11.085 1.00 10.00 O ATOM 0 H GLU A 13 6.324 5.464 -5.540 1.00 10.00 H new ATOM 0 HA GLU A 13 6.569 3.440 -7.423 1.00 10.00 H new ATOM 0 HB2 GLU A 13 7.065 6.328 -7.105 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.247 5.642 -8.203 1.00 10.00 H new ATOM 0 HG2 GLU A 13 5.640 4.502 -8.810 1.00 10.00 H new ATOM 0 HG3 GLU A 13 5.489 6.247 -8.748 1.00 10.00 H new ATOM 199 N LEU A 14 9.593 4.247 -6.400 1.00 10.00 N ATOM 200 CA LEU A 14 10.974 3.691 -6.337 1.00 10.00 C ATOM 201 C LEU A 14 10.990 2.387 -5.532 1.00 10.00 C ATOM 202 O LEU A 14 11.344 1.340 -6.035 1.00 10.00 O ATOM 203 CB LEU A 14 11.801 4.765 -5.630 1.00 10.00 C ATOM 204 CG LEU A 14 13.260 4.313 -5.541 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.853 4.220 -6.947 1.00 10.00 C ATOM 206 CD2 LEU A 14 14.058 5.327 -4.717 1.00 10.00 C ATOM 0 H LEU A 14 9.482 5.178 -5.999 1.00 10.00 H new ATOM 0 HA LEU A 14 11.367 3.456 -7.326 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.734 5.707 -6.174 1.00 10.00 H new ATOM 0 HB3 LEU A 14 11.404 4.945 -4.631 1.00 10.00 H new ATOM 0 HG LEU A 14 13.308 3.335 -5.062 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.892 3.898 -6.883 1.00 10.00 H new ATOM 0 HD12 LEU A 14 13.285 3.498 -7.534 1.00 10.00 H new ATOM 0 HD13 LEU A 14 13.805 5.197 -7.428 1.00 10.00 H new ATOM 0 HD21 LEU A 14 15.098 5.006 -4.653 1.00 10.00 H new ATOM 0 HD22 LEU A 14 14.009 6.305 -5.197 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.636 5.393 -3.714 1.00 10.00 H new ATOM 218 N LEU A 15 10.611 2.445 -4.284 1.00 10.00 N ATOM 219 CA LEU A 15 10.609 1.209 -3.447 1.00 10.00 C ATOM 220 C LEU A 15 9.794 0.107 -4.126 1.00 10.00 C ATOM 221 O LEU A 15 10.331 -0.892 -4.562 1.00 10.00 O ATOM 222 CB LEU A 15 9.956 1.627 -2.128 1.00 10.00 C ATOM 223 CG LEU A 15 10.910 2.541 -1.358 1.00 10.00 C ATOM 224 CD1 LEU A 15 10.154 3.221 -0.216 1.00 10.00 C ATOM 225 CD2 LEU A 15 12.060 1.710 -0.784 1.00 10.00 C ATOM 0 H LEU A 15 10.303 3.293 -3.808 1.00 10.00 H new ATOM 0 HA LEU A 15 11.612 0.810 -3.298 1.00 10.00 H new ATOM 0 HB2 LEU A 15 9.016 2.144 -2.322 1.00 10.00 H new ATOM 0 HB3 LEU A 15 9.718 0.746 -1.532 1.00 10.00 H new ATOM 0 HG LEU A 15 11.310 3.299 -2.032 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.834 3.873 0.333 1.00 10.00 H new ATOM 0 HD12 LEU A 15 9.334 3.813 -0.624 1.00 10.00 H new ATOM 0 HD13 LEU A 15 9.754 2.463 0.458 1.00 10.00 H new ATOM 0 HD21 LEU A 15 12.741 2.361 -0.235 1.00 10.00 H new ATOM 0 HD22 LEU A 15 11.660 0.952 -0.110 1.00 10.00 H new ATOM 0 HD23 LEU A 15 12.599 1.225 -1.597 1.00 10.00 H new ATOM 237 N GLN A 16 8.501 0.277 -4.220 1.00 10.00 N ATOM 238 CA GLN A 16 7.657 -0.765 -4.872 1.00 10.00 C ATOM 239 C GLN A 16 8.378 -1.334 -6.095 1.00 10.00 C ATOM 240 O GLN A 16 8.414 -2.530 -6.305 1.00 10.00 O ATOM 241 CB GLN A 16 6.379 -0.039 -5.292 1.00 10.00 C ATOM 242 CG GLN A 16 5.232 -0.438 -4.361 1.00 10.00 C ATOM 243 CD GLN A 16 5.729 -0.465 -2.913 1.00 10.00 C ATOM 244 OE1 GLN A 16 6.135 0.549 -2.380 1.00 10.00 O ATOM 245 NE2 GLN A 16 5.714 -1.590 -2.252 1.00 10.00 N ATOM 0 H GLN A 16 7.994 1.092 -3.874 1.00 10.00 H new ATOM 0 HA GLN A 16 7.447 -1.602 -4.207 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.533 1.039 -5.255 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.128 -0.290 -6.323 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.408 0.269 -4.460 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.847 -1.418 -4.642 1.00 10.00 H new ATOM 0 HE21 GLN A 16 5.373 -2.440 -2.700 1.00 10.00 H new ATOM 0 HE22 GLN A 16 6.043 -1.619 -1.287 1.00 10.00 H new ATOM 254 N GLY A 17 8.958 -0.487 -6.899 1.00 10.00 N ATOM 255 CA GLY A 17 9.681 -0.988 -8.099 1.00 10.00 C ATOM 256 C GLY A 17 10.582 -2.152 -7.686 1.00 10.00 C ATOM 257 O GLY A 17 10.590 -3.196 -8.309 1.00 10.00 O ATOM 0 H GLY A 17 8.962 0.526 -6.777 1.00 10.00 H new ATOM 0 HA2 GLY A 17 8.970 -1.313 -8.859 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.276 -0.189 -8.541 1.00 10.00 H new ATOM 261 N TYR A 18 11.333 -1.990 -6.630 1.00 10.00 N ATOM 262 CA TYR A 18 12.213 -3.080 -6.172 1.00 10.00 C ATOM 263 C TYR A 18 11.357 -4.172 -5.520 1.00 10.00 C ATOM 264 O TYR A 18 11.496 -5.341 -5.827 1.00 10.00 O ATOM 265 CB TYR A 18 13.181 -2.353 -5.224 1.00 10.00 C ATOM 266 CG TYR A 18 13.326 -3.038 -3.894 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.080 -4.395 -3.762 1.00 10.00 C ATOM 268 CD2 TYR A 18 13.728 -2.287 -2.792 1.00 10.00 C ATOM 269 CE1 TYR A 18 13.235 -5.018 -2.520 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.888 -2.901 -1.546 1.00 10.00 C ATOM 271 CZ TYR A 18 13.642 -4.271 -1.409 1.00 10.00 C ATOM 272 OH TYR A 18 13.797 -4.883 -0.181 1.00 10.00 O ATOM 0 H TYR A 18 11.368 -1.140 -6.067 1.00 10.00 H new ATOM 0 HA TYR A 18 12.769 -3.609 -6.946 1.00 10.00 H new ATOM 0 HB2 TYR A 18 14.160 -2.281 -5.698 1.00 10.00 H new ATOM 0 HB3 TYR A 18 12.828 -1.334 -5.065 1.00 10.00 H new ATOM 0 HD1 TYR A 18 12.768 -4.972 -4.620 1.00 10.00 H new ATOM 0 HD2 TYR A 18 13.916 -1.229 -2.900 1.00 10.00 H new ATOM 0 HE1 TYR A 18 13.041 -6.075 -2.418 1.00 10.00 H new ATOM 0 HE2 TYR A 18 14.201 -2.319 -0.692 1.00 10.00 H new ATOM 0 HH TYR A 18 13.607 -4.238 0.532 1.00 10.00 H new ATOM 282 N THR A 19 10.455 -3.813 -4.647 1.00 10.00 N ATOM 283 CA THR A 19 9.590 -4.851 -4.010 1.00 10.00 C ATOM 284 C THR A 19 8.961 -5.757 -5.078 1.00 10.00 C ATOM 285 O THR A 19 8.734 -6.930 -4.855 1.00 10.00 O ATOM 286 CB THR A 19 8.503 -4.064 -3.276 1.00 10.00 C ATOM 287 OG1 THR A 19 9.059 -3.466 -2.114 1.00 10.00 O ATOM 288 CG2 THR A 19 7.363 -5.005 -2.878 1.00 10.00 C ATOM 0 H THR A 19 10.279 -2.854 -4.348 1.00 10.00 H new ATOM 0 HA THR A 19 10.155 -5.498 -3.339 1.00 10.00 H new ATOM 0 HB THR A 19 8.111 -3.287 -3.932 1.00 10.00 H new ATOM 0 HG1 THR A 19 9.529 -2.643 -2.363 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.591 -4.440 -2.355 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.937 -5.460 -3.773 1.00 10.00 H new ATOM 0 HG23 THR A 19 7.748 -5.786 -2.222 1.00 10.00 H new ATOM 296 N VAL A 20 8.669 -5.220 -6.233 1.00 10.00 N ATOM 297 CA VAL A 20 8.044 -6.046 -7.309 1.00 10.00 C ATOM 298 C VAL A 20 9.076 -6.983 -7.946 1.00 10.00 C ATOM 299 O VAL A 20 8.764 -8.093 -8.329 1.00 10.00 O ATOM 300 CB VAL A 20 7.535 -5.033 -8.335 1.00 10.00 C ATOM 301 CG1 VAL A 20 7.063 -5.771 -9.589 1.00 10.00 C ATOM 302 CG2 VAL A 20 6.367 -4.245 -7.737 1.00 10.00 C ATOM 0 H VAL A 20 8.836 -4.244 -6.479 1.00 10.00 H new ATOM 0 HA VAL A 20 7.246 -6.681 -6.924 1.00 10.00 H new ATOM 0 HB VAL A 20 8.340 -4.347 -8.599 1.00 10.00 H new ATOM 0 HG11 VAL A 20 6.700 -5.049 -10.321 1.00 10.00 H new ATOM 0 HG12 VAL A 20 7.894 -6.333 -10.015 1.00 10.00 H new ATOM 0 HG13 VAL A 20 6.258 -6.457 -9.326 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.003 -3.523 -8.468 1.00 10.00 H new ATOM 0 HG22 VAL A 20 5.562 -4.931 -7.474 1.00 10.00 H new ATOM 0 HG23 VAL A 20 6.703 -3.719 -6.843 1.00 10.00 H new ATOM 312 N GLU A 21 10.300 -6.550 -8.063 1.00 10.00 N ATOM 313 CA GLU A 21 11.338 -7.437 -8.679 1.00 10.00 C ATOM 314 C GLU A 21 11.582 -8.638 -7.769 1.00 10.00 C ATOM 315 O GLU A 21 11.503 -9.778 -8.182 1.00 10.00 O ATOM 316 CB GLU A 21 12.627 -6.611 -8.793 1.00 10.00 C ATOM 317 CG GLU A 21 12.310 -5.121 -8.777 1.00 10.00 C ATOM 318 CD GLU A 21 13.439 -4.346 -9.461 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.408 -4.033 -8.789 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.315 -4.077 -10.645 1.00 10.00 O ATOM 0 H GLU A 21 10.629 -5.632 -7.764 1.00 10.00 H new ATOM 0 HA GLU A 21 11.017 -7.797 -9.657 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.296 -6.855 -7.968 1.00 10.00 H new ATOM 0 HB3 GLU A 21 13.150 -6.868 -9.714 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.366 -4.935 -9.289 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.189 -4.776 -7.750 1.00 10.00 H new ATOM 327 N VAL A 22 11.881 -8.377 -6.530 1.00 10.00 N ATOM 328 CA VAL A 22 12.138 -9.481 -5.566 1.00 10.00 C ATOM 329 C VAL A 22 11.031 -10.530 -5.659 1.00 10.00 C ATOM 330 O VAL A 22 11.290 -11.715 -5.713 1.00 10.00 O ATOM 331 CB VAL A 22 12.133 -8.802 -4.198 1.00 10.00 C ATOM 332 CG1 VAL A 22 12.720 -9.745 -3.158 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.986 -7.536 -4.260 1.00 10.00 C ATOM 0 H VAL A 22 11.959 -7.438 -6.140 1.00 10.00 H new ATOM 0 HA VAL A 22 13.076 -10.002 -5.761 1.00 10.00 H new ATOM 0 HB VAL A 22 11.109 -8.547 -3.925 1.00 10.00 H new ATOM 0 HG11 VAL A 22 12.716 -9.259 -2.182 1.00 10.00 H new ATOM 0 HG12 VAL A 22 12.121 -10.655 -3.113 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.744 -9.998 -3.433 1.00 10.00 H new ATOM 0 HG21 VAL A 22 12.985 -7.048 -3.285 1.00 10.00 H new ATOM 0 HG22 VAL A 22 14.008 -7.799 -4.533 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.575 -6.856 -5.006 1.00 10.00 H new ATOM 343 N LEU A 23A 9.800 -10.106 -5.687 1.00 10.00 N ATOM 344 CA LEU A 23A 8.684 -11.087 -5.785 1.00 10.00 C ATOM 345 C LEU A 23A 8.818 -11.899 -7.077 1.00 10.00 C ATOM 346 O LEU A 23A 8.410 -13.041 -7.150 1.00 10.00 O ATOM 347 CB LEU A 23A 7.411 -10.240 -5.811 1.00 10.00 C ATOM 348 CG LEU A 23A 7.002 -9.894 -4.381 1.00 10.00 C ATOM 349 CD1 LEU A 23A 5.679 -9.126 -4.400 1.00 10.00 C ATOM 350 CD2 LEU A 23A 6.830 -11.184 -3.573 1.00 10.00 C ATOM 0 H LEU A 23A 9.518 -9.127 -5.646 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.679 -11.797 -4.958 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.580 -9.328 -6.383 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 6.609 -10.785 -6.309 1.00 10.00 H new ATOM 0 HG LEU A 23A 7.774 -9.277 -3.922 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 5.387 -8.879 -3.379 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 5.799 -8.208 -4.975 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 4.907 -9.743 -4.859 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 6.538 -10.938 -2.552 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 6.058 -11.801 -4.032 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 7.772 -11.733 -3.559 1.00 10.00 H new ATOM 362 N ARG A 24 9.388 -11.316 -8.098 1.00 10.00 N ATOM 363 CA ARG A 24 9.548 -12.052 -9.385 1.00 10.00 C ATOM 364 C ARG A 24 10.845 -12.868 -9.381 1.00 10.00 C ATOM 365 O ARG A 24 11.393 -13.183 -10.419 1.00 10.00 O ATOM 366 CB ARG A 24 9.603 -10.965 -10.459 1.00 10.00 C ATOM 367 CG ARG A 24 8.181 -10.522 -10.809 1.00 10.00 C ATOM 368 CD ARG A 24 7.910 -10.798 -12.289 1.00 10.00 C ATOM 369 NE ARG A 24 6.614 -11.529 -12.311 1.00 10.00 N ATOM 370 CZ ARG A 24 5.489 -10.866 -12.345 1.00 10.00 C ATOM 371 NH1 ARG A 24 5.330 -9.899 -13.206 1.00 10.00 N ATOM 372 NH2 ARG A 24 4.526 -11.172 -11.519 1.00 10.00 N ATOM 0 H ARG A 24 9.749 -10.362 -8.096 1.00 10.00 H new ATOM 0 HA ARG A 24 8.735 -12.757 -9.556 1.00 10.00 H new ATOM 0 HB2 ARG A 24 10.183 -10.114 -10.101 1.00 10.00 H new ATOM 0 HB3 ARG A 24 10.107 -11.343 -11.349 1.00 10.00 H new ATOM 0 HG2 ARG A 24 7.460 -11.056 -10.191 1.00 10.00 H new ATOM 0 HG3 ARG A 24 8.057 -9.460 -10.598 1.00 10.00 H new ATOM 0 HD2 ARG A 24 7.850 -9.871 -12.859 1.00 10.00 H new ATOM 0 HD3 ARG A 24 8.708 -11.394 -12.732 1.00 10.00 H new ATOM 0 HE ARG A 24 6.604 -12.549 -12.300 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.083 -9.662 -13.851 1.00 10.00 H new ATOM 0 HH12 ARG A 24 4.452 -9.380 -13.234 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.652 -11.929 -10.847 1.00 10.00 H new ATOM 0 HH22 ARG A 24 3.648 -10.654 -11.546 1.00 10.00 H new ATOM 386 N GLN A 25 11.337 -13.219 -8.224 1.00 10.00 N ATOM 387 CA GLN A 25 12.593 -14.022 -8.165 1.00 10.00 C ATOM 388 C GLN A 25 12.799 -14.575 -6.752 1.00 10.00 C ATOM 389 O GLN A 25 13.263 -15.683 -6.569 1.00 10.00 O ATOM 390 CB GLN A 25 13.714 -13.046 -8.558 1.00 10.00 C ATOM 391 CG GLN A 25 14.458 -12.545 -7.315 1.00 10.00 C ATOM 392 CD GLN A 25 15.865 -12.095 -7.710 1.00 10.00 C ATOM 393 OE1 GLN A 25 16.885 -12.476 -6.989 1.00 10.00 O flip ATOM 394 NE2 GLN A 25 16.041 -11.393 -8.686 1.00 10.00 N flip ATOM 0 H GLN A 25 10.926 -12.986 -7.320 1.00 10.00 H new ATOM 0 HA GLN A 25 12.570 -14.884 -8.831 1.00 10.00 H new ATOM 0 HB2 GLN A 25 14.414 -13.541 -9.232 1.00 10.00 H new ATOM 0 HB3 GLN A 25 13.292 -12.200 -9.101 1.00 10.00 H new ATOM 0 HG2 GLN A 25 13.914 -11.717 -6.861 1.00 10.00 H new ATOM 0 HG3 GLN A 25 14.514 -13.337 -6.568 1.00 10.00 H new ATOM 0 HE21 GLN A 25 15.245 -11.095 -9.250 1.00 10.00 H new ATOM 0 HE22 GLN A 25 16.985 -11.102 -8.941 1.00 10.00 H new ATOM 403 N GLN A 26 12.458 -13.808 -5.756 1.00 10.00 N ATOM 404 CA GLN A 26 12.632 -14.279 -4.350 1.00 10.00 C ATOM 405 C GLN A 26 14.095 -14.655 -4.095 1.00 10.00 C ATOM 406 O GLN A 26 14.455 -15.815 -4.129 1.00 10.00 O ATOM 407 CB GLN A 26 11.732 -15.511 -4.228 1.00 10.00 C ATOM 408 CG GLN A 26 10.749 -15.316 -3.070 1.00 10.00 C ATOM 409 CD GLN A 26 11.500 -15.387 -1.739 1.00 10.00 C ATOM 410 OE1 GLN A 26 12.618 -15.859 -1.684 1.00 10.00 O ATOM 411 NE2 GLN A 26 10.929 -14.936 -0.656 1.00 10.00 N ATOM 0 H GLN A 26 12.065 -12.872 -5.853 1.00 10.00 H new ATOM 0 HA GLN A 26 12.370 -13.511 -3.623 1.00 10.00 H new ATOM 0 HB2 GLN A 26 11.187 -15.669 -5.158 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.338 -16.401 -4.058 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.247 -14.353 -3.165 1.00 10.00 H new ATOM 0 HG3 GLN A 26 9.976 -16.083 -3.104 1.00 10.00 H new ATOM 0 HE21 GLN A 26 9.990 -14.540 -0.702 1.00 10.00 H new ATOM 0 HE22 GLN A 26 11.421 -14.980 0.236 1.00 10.00 H new ATOM 420 N PRO A 27 14.891 -13.650 -3.846 1.00 10.00 N ATOM 421 CA PRO A 27 16.334 -13.862 -3.578 1.00 10.00 C ATOM 422 C PRO A 27 16.534 -14.541 -2.220 1.00 10.00 C ATOM 423 O PRO A 27 15.609 -14.654 -1.440 1.00 10.00 O ATOM 424 CB PRO A 27 16.909 -12.447 -3.568 1.00 10.00 C ATOM 425 CG PRO A 27 15.751 -11.568 -3.225 1.00 10.00 C ATOM 426 CD PRO A 27 14.524 -12.234 -3.790 1.00 10.00 C ATOM 0 HA PRO A 27 16.815 -14.508 -4.313 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.710 -12.350 -2.835 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.331 -12.185 -4.538 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.663 -11.446 -2.145 1.00 10.00 H new ATOM 0 HG3 PRO A 27 15.881 -10.572 -3.649 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.652 -12.071 -3.156 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.277 -11.845 -4.778 1.00 10.00 H new ATOM 434 N PRO A 28 17.745 -14.968 -1.985 1.00 10.00 N ATOM 435 CA PRO A 28 18.083 -15.642 -0.708 1.00 10.00 C ATOM 436 C PRO A 28 18.041 -14.643 0.453 1.00 10.00 C ATOM 437 O PRO A 28 18.144 -15.012 1.607 1.00 10.00 O ATOM 438 CB PRO A 28 19.502 -16.156 -0.939 1.00 10.00 C ATOM 439 CG PRO A 28 20.060 -15.265 -1.999 1.00 10.00 C ATOM 440 CD PRO A 28 18.903 -14.867 -2.875 1.00 10.00 C ATOM 0 HA PRO A 28 17.386 -16.438 -0.445 1.00 10.00 H new ATOM 0 HB2 PRO A 28 20.095 -16.105 -0.026 1.00 10.00 H new ATOM 0 HB3 PRO A 28 19.499 -17.198 -1.259 1.00 10.00 H new ATOM 0 HG2 PRO A 28 20.533 -14.387 -1.559 1.00 10.00 H new ATOM 0 HG3 PRO A 28 20.825 -15.783 -2.578 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.023 -13.855 -3.263 1.00 10.00 H new ATOM 0 HD3 PRO A 28 18.806 -15.529 -3.736 1.00 10.00 H new ATOM 448 N ASP A 29 17.890 -13.381 0.156 1.00 10.00 N ATOM 449 CA ASP A 29 17.840 -12.356 1.240 1.00 10.00 C ATOM 450 C ASP A 29 17.458 -10.994 0.657 1.00 10.00 C ATOM 451 O ASP A 29 18.028 -10.542 -0.317 1.00 10.00 O ATOM 452 CB ASP A 29 19.254 -12.314 1.823 1.00 10.00 C ATOM 453 CG ASP A 29 20.280 -12.455 0.697 1.00 10.00 C ATOM 454 OD1 ASP A 29 20.626 -13.579 0.376 1.00 10.00 O ATOM 455 OD2 ASP A 29 20.701 -11.435 0.175 1.00 10.00 O ATOM 0 H ASP A 29 17.799 -13.014 -0.791 1.00 10.00 H new ATOM 0 HA ASP A 29 17.098 -12.598 2.001 1.00 10.00 H new ATOM 0 HB2 ASP A 29 19.411 -11.376 2.355 1.00 10.00 H new ATOM 0 HB3 ASP A 29 19.383 -13.117 2.548 1.00 10.00 H new ATOM 460 N LEU A 30 16.493 -10.338 1.240 1.00 10.00 N ATOM 461 CA LEU A 30 16.071 -9.007 0.713 1.00 10.00 C ATOM 462 C LEU A 30 17.056 -7.919 1.149 1.00 10.00 C ATOM 463 O LEU A 30 17.604 -7.208 0.331 1.00 10.00 O ATOM 464 CB LEU A 30 14.696 -8.757 1.331 1.00 10.00 C ATOM 465 CG LEU A 30 14.180 -7.397 0.868 1.00 10.00 C ATOM 466 CD1 LEU A 30 13.679 -7.510 -0.571 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.032 -6.951 1.777 1.00 10.00 C ATOM 0 H LEU A 30 15.978 -10.664 2.058 1.00 10.00 H new ATOM 0 HA LEU A 30 16.044 -8.989 -0.376 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.002 -9.543 1.034 1.00 10.00 H new ATOM 0 HB3 LEU A 30 14.762 -8.784 2.419 1.00 10.00 H new ATOM 0 HG LEU A 30 14.985 -6.664 0.917 1.00 10.00 H new ATOM 0 HD11 LEU A 30 13.310 -6.540 -0.905 1.00 10.00 H new ATOM 0 HD12 LEU A 30 14.497 -7.829 -1.217 1.00 10.00 H new ATOM 0 HD13 LEU A 30 12.872 -8.242 -0.619 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.663 -5.980 1.447 1.00 10.00 H new ATOM 0 HD22 LEU A 30 12.225 -7.682 1.728 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.390 -6.873 2.804 1.00 10.00 H new ATOM 479 N VAL A 31 17.278 -7.785 2.432 1.00 10.00 N ATOM 480 CA VAL A 31 18.227 -6.744 2.929 1.00 10.00 C ATOM 481 C VAL A 31 19.312 -6.478 1.889 1.00 10.00 C ATOM 482 O VAL A 31 19.385 -5.417 1.300 1.00 10.00 O ATOM 483 CB VAL A 31 18.852 -7.350 4.184 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.713 -6.295 4.881 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.745 -7.813 5.133 1.00 10.00 C ATOM 0 H VAL A 31 16.842 -8.353 3.158 1.00 10.00 H new ATOM 0 HA VAL A 31 17.727 -5.796 3.127 1.00 10.00 H new ATOM 0 HB VAL A 31 19.472 -8.203 3.907 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.160 -6.725 5.777 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.501 -5.964 4.205 1.00 10.00 H new ATOM 0 HG13 VAL A 31 19.092 -5.443 5.158 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.191 -8.246 6.029 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.125 -6.961 5.412 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.130 -8.563 4.636 1.00 10.00 H new ATOM 495 N ASP A 32 20.150 -7.445 1.659 1.00 10.00 N ATOM 496 CA ASP A 32 21.235 -7.277 0.658 1.00 10.00 C ATOM 497 C ASP A 32 20.652 -6.802 -0.674 1.00 10.00 C ATOM 498 O ASP A 32 21.191 -5.924 -1.317 1.00 10.00 O ATOM 499 CB ASP A 32 21.845 -8.670 0.529 1.00 10.00 C ATOM 500 CG ASP A 32 23.370 -8.569 0.583 1.00 10.00 C ATOM 501 OD1 ASP A 32 23.871 -7.458 0.611 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.013 -9.607 0.596 1.00 10.00 O ATOM 0 H ASP A 32 20.130 -8.352 2.125 1.00 10.00 H new ATOM 0 HA ASP A 32 21.976 -6.533 0.951 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.484 -9.312 1.333 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.534 -9.129 -0.409 1.00 10.00 H new ATOM 507 N PHE A 33 19.551 -7.364 -1.092 1.00 10.00 N ATOM 508 CA PHE A 33 18.941 -6.921 -2.377 1.00 10.00 C ATOM 509 C PHE A 33 18.528 -5.452 -2.266 1.00 10.00 C ATOM 510 O PHE A 33 18.819 -4.645 -3.126 1.00 10.00 O ATOM 511 CB PHE A 33 17.716 -7.814 -2.577 1.00 10.00 C ATOM 512 CG PHE A 33 16.942 -7.335 -3.783 1.00 10.00 C ATOM 513 CD1 PHE A 33 16.250 -6.118 -3.730 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.920 -8.101 -4.955 1.00 10.00 C ATOM 515 CE1 PHE A 33 15.537 -5.669 -4.848 1.00 10.00 C ATOM 516 CE2 PHE A 33 16.208 -7.650 -6.073 1.00 10.00 C ATOM 517 CZ PHE A 33 15.517 -6.433 -6.019 1.00 10.00 C ATOM 0 H PHE A 33 19.050 -8.106 -0.603 1.00 10.00 H new ATOM 0 HA PHE A 33 19.632 -7.003 -3.216 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.025 -8.850 -2.717 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.083 -7.787 -1.690 1.00 10.00 H new ATOM 0 HD1 PHE A 33 16.267 -5.526 -2.827 1.00 10.00 H new ATOM 0 HD2 PHE A 33 17.452 -9.040 -4.997 1.00 10.00 H new ATOM 0 HE1 PHE A 33 15.002 -4.732 -4.806 1.00 10.00 H new ATOM 0 HE2 PHE A 33 16.192 -8.241 -6.977 1.00 10.00 H new ATOM 0 HZ PHE A 33 14.969 -6.085 -6.882 1.00 10.00 H new ATOM 527 N ALA A 34 17.858 -5.099 -1.201 1.00 10.00 N ATOM 528 CA ALA A 34 17.434 -3.682 -1.018 1.00 10.00 C ATOM 529 C ALA A 34 18.647 -2.757 -1.163 1.00 10.00 C ATOM 530 O ALA A 34 18.538 -1.638 -1.624 1.00 10.00 O ATOM 531 CB ALA A 34 16.885 -3.617 0.407 1.00 10.00 C ATOM 0 H ALA A 34 17.586 -5.733 -0.449 1.00 10.00 H new ATOM 0 HA ALA A 34 16.695 -3.368 -1.755 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.550 -2.602 0.622 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.045 -4.305 0.505 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.668 -3.898 1.112 1.00 10.00 H new ATOM 537 N VAL A 35 19.806 -3.219 -0.768 1.00 10.00 N ATOM 538 CA VAL A 35 21.025 -2.378 -0.873 1.00 10.00 C ATOM 539 C VAL A 35 21.674 -2.556 -2.250 1.00 10.00 C ATOM 540 O VAL A 35 21.909 -1.601 -2.963 1.00 10.00 O ATOM 541 CB VAL A 35 21.928 -2.907 0.242 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.392 -2.629 -0.084 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.565 -2.210 1.552 1.00 10.00 C ATOM 0 H VAL A 35 19.956 -4.149 -0.376 1.00 10.00 H new ATOM 0 HA VAL A 35 20.825 -1.311 -0.771 1.00 10.00 H new ATOM 0 HB VAL A 35 21.784 -3.983 0.335 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.022 -3.011 0.719 1.00 10.00 H new ATOM 0 HG12 VAL A 35 23.657 -3.122 -1.019 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.545 -1.554 -0.185 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.205 -2.582 2.352 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.708 -1.135 1.444 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.523 -2.415 1.796 1.00 10.00 H new ATOM 553 N GLU A 36 21.965 -3.771 -2.627 1.00 10.00 N ATOM 554 CA GLU A 36 22.601 -4.008 -3.954 1.00 10.00 C ATOM 555 C GLU A 36 21.793 -3.319 -5.060 1.00 10.00 C ATOM 556 O GLU A 36 22.342 -2.781 -5.999 1.00 10.00 O ATOM 557 CB GLU A 36 22.589 -5.531 -4.124 1.00 10.00 C ATOM 558 CG GLU A 36 21.970 -5.905 -5.474 1.00 10.00 C ATOM 559 CD GLU A 36 22.163 -7.401 -5.728 1.00 10.00 C ATOM 560 OE1 GLU A 36 21.322 -8.168 -5.293 1.00 10.00 O ATOM 561 OE2 GLU A 36 23.151 -7.753 -6.352 1.00 10.00 O ATOM 0 H GLU A 36 21.790 -4.610 -2.074 1.00 10.00 H new ATOM 0 HA GLU A 36 23.611 -3.603 -4.015 1.00 10.00 H new ATOM 0 HB2 GLU A 36 23.605 -5.920 -4.061 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.021 -5.991 -3.315 1.00 10.00 H new ATOM 0 HG2 GLU A 36 20.908 -5.659 -5.480 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.436 -5.327 -6.272 1.00 10.00 H new ATOM 568 N TYR A 37 20.493 -3.335 -4.955 1.00 10.00 N ATOM 569 CA TYR A 37 19.654 -2.682 -6.000 1.00 10.00 C ATOM 570 C TYR A 37 19.769 -1.159 -5.900 1.00 10.00 C ATOM 571 O TYR A 37 20.110 -0.488 -6.854 1.00 10.00 O ATOM 572 CB TYR A 37 18.223 -3.131 -5.700 1.00 10.00 C ATOM 573 CG TYR A 37 17.273 -2.455 -6.658 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.231 -2.851 -8.000 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.432 -1.430 -6.204 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.349 -2.223 -8.889 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.550 -0.803 -7.093 1.00 10.00 C ATOM 578 CZ TYR A 37 15.509 -1.198 -8.435 1.00 10.00 C ATOM 579 OH TYR A 37 14.639 -0.580 -9.310 1.00 10.00 O ATOM 0 H TYR A 37 19.975 -3.771 -4.192 1.00 10.00 H new ATOM 0 HA TYR A 37 19.966 -2.958 -7.007 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.143 -4.214 -5.795 1.00 10.00 H new ATOM 0 HB3 TYR A 37 17.960 -2.881 -4.672 1.00 10.00 H new ATOM 0 HD1 TYR A 37 17.879 -3.641 -8.350 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.464 -1.124 -5.169 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.317 -2.529 -9.924 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.901 -0.014 -6.743 1.00 10.00 H new ATOM 0 HH TYR A 37 14.129 0.107 -8.833 1.00 10.00 H new ATOM 589 N PHE A 38 19.488 -0.606 -4.752 1.00 10.00 N ATOM 590 CA PHE A 38 19.582 0.874 -4.601 1.00 10.00 C ATOM 591 C PHE A 38 21.045 1.324 -4.671 1.00 10.00 C ATOM 592 O PHE A 38 21.401 2.188 -5.447 1.00 10.00 O ATOM 593 CB PHE A 38 18.990 1.171 -3.224 1.00 10.00 C ATOM 594 CG PHE A 38 17.486 1.246 -3.330 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.893 2.016 -4.338 1.00 10.00 C ATOM 596 CD2 PHE A 38 16.683 0.549 -2.419 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.498 2.089 -4.437 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.288 0.621 -2.516 1.00 10.00 C ATOM 599 CZ PHE A 38 14.694 1.392 -3.526 1.00 10.00 C ATOM 0 H PHE A 38 19.199 -1.112 -3.915 1.00 10.00 H new ATOM 0 HA PHE A 38 19.053 1.404 -5.393 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.277 0.393 -2.517 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.386 2.112 -2.841 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.512 2.554 -5.040 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.140 -0.045 -1.641 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.042 2.683 -5.216 1.00 10.00 H new ATOM 0 HE2 PHE A 38 14.669 0.083 -1.813 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.618 1.448 -3.601 1.00 10.00 H new ATOM 609 N THR A 39 21.898 0.747 -3.867 1.00 10.00 N ATOM 610 CA THR A 39 23.334 1.151 -3.899 1.00 10.00 C ATOM 611 C THR A 39 23.816 1.246 -5.349 1.00 10.00 C ATOM 612 O THR A 39 24.500 2.175 -5.727 1.00 10.00 O ATOM 613 CB THR A 39 24.084 0.047 -3.152 1.00 10.00 C ATOM 614 OG1 THR A 39 23.789 0.127 -1.765 1.00 10.00 O ATOM 615 CG2 THR A 39 25.588 0.220 -3.364 1.00 10.00 C ATOM 0 H THR A 39 21.665 0.018 -3.193 1.00 10.00 H new ATOM 0 HA THR A 39 23.499 2.126 -3.441 1.00 10.00 H new ATOM 0 HB THR A 39 23.772 -0.925 -3.533 1.00 10.00 H new ATOM 0 HG1 THR A 39 24.624 0.113 -1.252 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.123 -0.566 -2.832 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.815 0.157 -4.428 1.00 10.00 H new ATOM 0 HG23 THR A 39 25.900 1.193 -2.983 1.00 10.00 H new ATOM 623 N ARG A 40 23.457 0.293 -6.165 1.00 10.00 N ATOM 624 CA ARG A 40 23.890 0.337 -7.591 1.00 10.00 C ATOM 625 C ARG A 40 23.375 1.618 -8.252 1.00 10.00 C ATOM 626 O ARG A 40 24.076 2.265 -9.005 1.00 10.00 O ATOM 627 CB ARG A 40 23.259 -0.898 -8.237 1.00 10.00 C ATOM 628 CG ARG A 40 24.333 -1.967 -8.450 1.00 10.00 C ATOM 629 CD ARG A 40 23.913 -2.887 -9.598 1.00 10.00 C ATOM 630 NE ARG A 40 24.239 -2.128 -10.836 1.00 10.00 N ATOM 631 CZ ARG A 40 25.081 -2.622 -11.701 1.00 10.00 C ATOM 632 NH1 ARG A 40 26.196 -3.162 -11.293 1.00 10.00 N ATOM 633 NH2 ARG A 40 24.807 -2.580 -12.976 1.00 10.00 N ATOM 0 H ARG A 40 22.885 -0.511 -5.908 1.00 10.00 H new ATOM 0 HA ARG A 40 24.975 0.337 -7.698 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.464 -1.288 -7.602 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.803 -0.630 -9.190 1.00 10.00 H new ATOM 0 HG2 ARG A 40 25.290 -1.497 -8.677 1.00 10.00 H new ATOM 0 HG3 ARG A 40 24.471 -2.546 -7.537 1.00 10.00 H new ATOM 0 HD2 ARG A 40 24.451 -3.834 -9.562 1.00 10.00 H new ATOM 0 HD3 ARG A 40 22.850 -3.122 -9.547 1.00 10.00 H new ATOM 0 HE ARG A 40 23.804 -1.222 -11.008 1.00 10.00 H new ATOM 0 HH11 ARG A 40 26.410 -3.198 -10.296 1.00 10.00 H new ATOM 0 HH12 ARG A 40 26.854 -3.548 -11.971 1.00 10.00 H new ATOM 0 HH21 ARG A 40 23.934 -2.161 -13.297 1.00 10.00 H new ATOM 0 HH22 ARG A 40 25.466 -2.966 -13.652 1.00 10.00 H new ATOM 647 N LEU A 41 22.155 1.993 -7.974 1.00 10.00 N ATOM 648 CA LEU A 41 21.602 3.237 -8.583 1.00 10.00 C ATOM 649 C LEU A 41 22.509 4.425 -8.246 1.00 10.00 C ATOM 650 O LEU A 41 22.721 5.307 -9.055 1.00 10.00 O ATOM 651 CB LEU A 41 20.220 3.414 -7.948 1.00 10.00 C ATOM 652 CG LEU A 41 19.161 2.737 -8.823 1.00 10.00 C ATOM 653 CD1 LEU A 41 17.766 3.056 -8.281 1.00 10.00 C ATOM 654 CD2 LEU A 41 19.277 3.254 -10.258 1.00 10.00 C ATOM 0 H LEU A 41 21.519 1.493 -7.353 1.00 10.00 H new ATOM 0 HA LEU A 41 21.539 3.178 -9.670 1.00 10.00 H new ATOM 0 HB2 LEU A 41 20.210 2.981 -6.948 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.992 4.474 -7.839 1.00 10.00 H new ATOM 0 HG LEU A 41 19.318 1.659 -8.809 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.014 2.573 -8.905 1.00 10.00 H new ATOM 0 HD12 LEU A 41 17.680 2.688 -7.259 1.00 10.00 H new ATOM 0 HD13 LEU A 41 17.609 4.135 -8.293 1.00 10.00 H new ATOM 0 HD21 LEU A 41 18.523 2.772 -10.880 1.00 10.00 H new ATOM 0 HD22 LEU A 41 19.122 4.333 -10.270 1.00 10.00 H new ATOM 0 HD23 LEU A 41 20.269 3.026 -10.648 1.00 10.00 H new ATOM 666 N ARG A 42 23.052 4.449 -7.059 1.00 10.00 N ATOM 667 CA ARG A 42 23.952 5.573 -6.670 1.00 10.00 C ATOM 668 C ARG A 42 25.285 5.451 -7.413 1.00 10.00 C ATOM 669 O ARG A 42 25.956 6.431 -7.671 1.00 10.00 O ATOM 670 CB ARG A 42 24.158 5.409 -5.164 1.00 10.00 C ATOM 671 CG ARG A 42 23.083 6.194 -4.411 1.00 10.00 C ATOM 672 CD ARG A 42 23.483 7.669 -4.335 1.00 10.00 C ATOM 673 NE ARG A 42 24.879 7.661 -3.813 1.00 10.00 N ATOM 674 CZ ARG A 42 25.748 8.524 -4.262 1.00 10.00 C ATOM 675 NH1 ARG A 42 25.749 8.854 -5.524 1.00 10.00 N ATOM 676 NH2 ARG A 42 26.616 9.058 -3.448 1.00 10.00 N ATOM 0 H ARG A 42 22.911 3.738 -6.341 1.00 10.00 H new ATOM 0 HA ARG A 42 23.535 6.549 -6.918 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.110 4.354 -4.893 1.00 10.00 H new ATOM 0 HB3 ARG A 42 25.148 5.766 -4.881 1.00 10.00 H new ATOM 0 HG2 ARG A 42 22.123 6.093 -4.917 1.00 10.00 H new ATOM 0 HG3 ARG A 42 22.958 5.788 -3.407 1.00 10.00 H new ATOM 0 HD2 ARG A 42 23.430 8.144 -5.315 1.00 10.00 H new ATOM 0 HD3 ARG A 42 22.818 8.225 -3.675 1.00 10.00 H new ATOM 0 HE ARG A 42 25.155 6.981 -3.105 1.00 10.00 H new ATOM 0 HH11 ARG A 42 25.070 8.437 -6.161 1.00 10.00 H new ATOM 0 HH12 ARG A 42 26.429 9.529 -5.874 1.00 10.00 H new ATOM 0 HH21 ARG A 42 26.615 8.801 -2.461 1.00 10.00 H new ATOM 0 HH22 ARG A 42 27.296 9.733 -3.798 1.00 10.00 H new ATOM 690 N GLU A 43 25.668 4.253 -7.762 1.00 10.00 N ATOM 691 CA GLU A 43 26.951 4.058 -8.491 1.00 10.00 C ATOM 692 C GLU A 43 26.679 3.933 -9.994 1.00 10.00 C ATOM 693 O GLU A 43 27.588 3.811 -10.791 1.00 10.00 O ATOM 694 CB GLU A 43 27.525 2.755 -7.916 1.00 10.00 C ATOM 695 CG GLU A 43 28.214 1.942 -9.018 1.00 10.00 C ATOM 696 CD GLU A 43 29.541 2.604 -9.391 1.00 10.00 C ATOM 697 OE1 GLU A 43 30.363 2.776 -8.507 1.00 10.00 O ATOM 698 OE2 GLU A 43 29.714 2.926 -10.555 1.00 10.00 O ATOM 0 H GLU A 43 25.145 3.398 -7.572 1.00 10.00 H new ATOM 0 HA GLU A 43 27.644 4.890 -8.370 1.00 10.00 H new ATOM 0 HB2 GLU A 43 28.238 2.983 -7.124 1.00 10.00 H new ATOM 0 HB3 GLU A 43 26.726 2.166 -7.466 1.00 10.00 H new ATOM 0 HG2 GLU A 43 28.389 0.922 -8.676 1.00 10.00 H new ATOM 0 HG3 GLU A 43 27.569 1.878 -9.894 1.00 10.00 H new ATOM 705 N ALA A 44 25.432 3.962 -10.385 1.00 10.00 N ATOM 706 CA ALA A 44 25.096 3.845 -11.835 1.00 10.00 C ATOM 707 C ALA A 44 26.126 4.579 -12.682 1.00 10.00 C ATOM 708 O ALA A 44 26.853 3.988 -13.455 1.00 10.00 O ATOM 709 CB ALA A 44 23.749 4.543 -11.995 1.00 10.00 C ATOM 0 H ALA A 44 24.631 4.062 -9.762 1.00 10.00 H new ATOM 0 HA ALA A 44 25.077 2.802 -12.152 1.00 10.00 H new ATOM 0 HB1 ALA A 44 23.437 4.497 -13.038 1.00 10.00 H new ATOM 0 HB2 ALA A 44 23.005 4.046 -11.372 1.00 10.00 H new ATOM 0 HB3 ALA A 44 23.841 5.585 -11.689 1.00 10.00 H new ATOM 715 N ARG A 45 26.162 5.876 -12.549 1.00 10.00 N ATOM 716 CA ARG A 45 27.109 6.698 -13.346 1.00 10.00 C ATOM 717 C ARG A 45 28.345 5.877 -13.734 1.00 10.00 C ATOM 718 O ARG A 45 29.014 5.309 -12.895 1.00 10.00 O ATOM 719 CB ARG A 45 27.477 7.867 -12.423 1.00 10.00 C ATOM 720 CG ARG A 45 28.973 8.184 -12.533 1.00 10.00 C ATOM 721 CD ARG A 45 29.268 8.793 -13.905 1.00 10.00 C ATOM 722 NE ARG A 45 28.890 10.228 -13.776 1.00 10.00 N ATOM 723 CZ ARG A 45 29.809 11.125 -13.535 1.00 10.00 C ATOM 724 NH1 ARG A 45 30.744 11.355 -14.414 1.00 10.00 N ATOM 725 NH2 ARG A 45 29.791 11.790 -12.414 1.00 10.00 N ATOM 0 H ARG A 45 25.567 6.406 -11.913 1.00 10.00 H new ATOM 0 HA ARG A 45 26.676 7.044 -14.284 1.00 10.00 H new ATOM 0 HB2 ARG A 45 26.892 8.747 -12.689 1.00 10.00 H new ATOM 0 HB3 ARG A 45 27.226 7.617 -11.392 1.00 10.00 H new ATOM 0 HG2 ARG A 45 29.267 8.877 -11.745 1.00 10.00 H new ATOM 0 HG3 ARG A 45 29.559 7.276 -12.393 1.00 10.00 H new ATOM 0 HD2 ARG A 45 30.320 8.684 -14.168 1.00 10.00 H new ATOM 0 HD3 ARG A 45 28.691 8.301 -14.688 1.00 10.00 H new ATOM 0 HE ARG A 45 27.915 10.510 -13.876 1.00 10.00 H new ATOM 0 HH11 ARG A 45 30.759 10.834 -15.291 1.00 10.00 H new ATOM 0 HH12 ARG A 45 31.461 12.056 -14.225 1.00 10.00 H new ATOM 0 HH21 ARG A 45 29.060 11.610 -11.726 1.00 10.00 H new ATOM 0 HH22 ARG A 45 30.508 12.490 -12.225 1.00 10.00 H new ATOM 739 N ARG A 46 28.648 5.812 -15.001 1.00 10.00 N ATOM 740 CA ARG A 46 29.837 5.029 -15.444 1.00 10.00 C ATOM 741 C ARG A 46 31.079 5.471 -14.667 1.00 10.00 C ATOM 742 O ARG A 46 32.124 4.877 -14.875 1.00 10.00 O ATOM 743 CB ARG A 46 29.993 5.349 -16.930 1.00 10.00 C ATOM 744 CG ARG A 46 31.081 4.459 -17.533 1.00 10.00 C ATOM 745 CD ARG A 46 30.434 3.369 -18.392 1.00 10.00 C ATOM 746 NE ARG A 46 30.809 3.709 -19.793 1.00 10.00 N ATOM 747 CZ ARG A 46 31.383 2.816 -20.552 1.00 10.00 C ATOM 748 NH1 ARG A 46 30.785 1.679 -20.787 1.00 10.00 N ATOM 749 NH2 ARG A 46 32.553 3.061 -21.076 1.00 10.00 N ATOM 750 OXT ARG A 46 30.964 6.396 -13.880 1.00 10.00 O ATOM 0 H ARG A 46 28.124 6.267 -15.749 1.00 10.00 H new ATOM 0 HA ARG A 46 29.716 3.960 -15.269 1.00 10.00 H new ATOM 0 HB2 ARG A 46 29.048 5.188 -17.449 1.00 10.00 H new ATOM 0 HB3 ARG A 46 30.254 6.399 -17.061 1.00 10.00 H new ATOM 0 HG2 ARG A 46 31.761 5.058 -18.139 1.00 10.00 H new ATOM 0 HG3 ARG A 46 31.676 4.006 -16.740 1.00 10.00 H new ATOM 0 HD2 ARG A 46 30.798 2.380 -18.115 1.00 10.00 H new ATOM 0 HD3 ARG A 46 29.351 3.357 -18.265 1.00 10.00 H new ATOM 0 HE ARG A 46 30.617 4.641 -20.160 1.00 10.00 H new ATOM 0 HH11 ARG A 46 29.870 1.490 -20.377 1.00 10.00 H new ATOM 0 HH12 ARG A 46 31.233 0.980 -21.380 1.00 10.00 H new ATOM 0 HH21 ARG A 46 33.018 3.950 -20.892 1.00 10.00 H new ATOM 0 HH22 ARG A 46 33.002 2.363 -21.669 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 -6.600 -10.008 -3.808 1.00 10.00 N ATOM 766 CA HIS B 1 -7.847 -9.627 -4.532 1.00 10.00 C ATOM 767 C HIS B 1 -7.548 -8.531 -5.560 1.00 10.00 C ATOM 768 O HIS B 1 -8.198 -8.431 -6.582 1.00 10.00 O ATOM 769 CB HIS B 1 -8.789 -9.101 -3.448 1.00 10.00 C ATOM 770 CG HIS B 1 -8.335 -7.737 -3.004 1.00 10.00 C ATOM 771 ND1 HIS B 1 -8.571 -6.597 -3.757 1.00 10.00 N ATOM 772 CD2 HIS B 1 -7.658 -7.314 -1.887 1.00 10.00 C ATOM 773 CE1 HIS B 1 -8.046 -5.554 -3.089 1.00 10.00 C ATOM 774 NE2 HIS B 1 -7.476 -5.936 -1.943 1.00 10.00 N ATOM 0 H1 HIS B 1 -6.789 -10.830 -3.200 1.00 10.00 H new ATOM 0 H2 HIS B 1 -5.859 -10.249 -4.496 1.00 10.00 H new ATOM 0 H3 HIS B 1 -6.281 -9.210 -3.222 1.00 10.00 H new ATOM 0 HA HIS B 1 -8.280 -10.465 -5.078 1.00 10.00 H new ATOM 0 HB2 HIS B 1 -9.808 -9.049 -3.831 1.00 10.00 H new ATOM 0 HB3 HIS B 1 -8.802 -9.785 -2.600 1.00 10.00 H new ATOM 0 HD2 HIS B 1 -7.318 -7.954 -1.086 1.00 10.00 H new ATOM 0 HE1 HIS B 1 -8.081 -4.532 -3.437 1.00 10.00 H new ATOM 0 HE2 HIS B 1 -7.008 -5.344 -1.256 1.00 10.00 H new ATOM 784 N MET B 2 -6.571 -7.708 -5.295 1.00 10.00 N ATOM 785 CA MET B 2 -6.231 -6.619 -6.255 1.00 10.00 C ATOM 786 C MET B 2 -6.275 -7.146 -7.693 1.00 10.00 C ATOM 787 O MET B 2 -7.209 -6.894 -8.429 1.00 10.00 O ATOM 788 CB MET B 2 -4.810 -6.192 -5.883 1.00 10.00 C ATOM 789 CG MET B 2 -4.783 -4.687 -5.610 1.00 10.00 C ATOM 790 SD MET B 2 -5.235 -3.790 -7.118 1.00 10.00 S ATOM 791 CE MET B 2 -3.797 -2.694 -7.170 1.00 10.00 C ATOM 0 H MET B 2 -5.993 -7.742 -4.455 1.00 10.00 H new ATOM 0 HA MET B 2 -6.934 -5.788 -6.201 1.00 10.00 H new ATOM 0 HB2 MET B 2 -4.474 -6.738 -5.001 1.00 10.00 H new ATOM 0 HB3 MET B 2 -4.122 -6.438 -6.692 1.00 10.00 H new ATOM 0 HG2 MET B 2 -5.476 -4.440 -4.806 1.00 10.00 H new ATOM 0 HG3 MET B 2 -3.790 -4.385 -5.278 1.00 10.00 H new ATOM 0 HE1 MET B 2 -3.870 -2.040 -8.039 1.00 10.00 H new ATOM 0 HE2 MET B 2 -3.766 -2.091 -6.263 1.00 10.00 H new ATOM 0 HE3 MET B 2 -2.887 -3.290 -7.240 1.00 10.00 H new ATOM 801 N GLY B 3 -5.272 -7.876 -8.098 1.00 10.00 N ATOM 802 CA GLY B 3 -5.261 -8.417 -9.487 1.00 10.00 C ATOM 803 C GLY B 3 -4.028 -9.303 -9.682 1.00 10.00 C ATOM 804 O GLY B 3 -4.027 -10.466 -9.331 1.00 10.00 O ATOM 0 H GLY B 3 -4.462 -8.121 -7.529 1.00 10.00 H new ATOM 0 HA2 GLY B 3 -6.168 -8.993 -9.671 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -5.251 -7.599 -10.207 1.00 10.00 H new ATOM 808 N HIS B 4 -2.980 -8.762 -10.240 1.00 10.00 N ATOM 809 CA HIS B 4 -1.748 -9.576 -10.458 1.00 10.00 C ATOM 810 C HIS B 4 -0.623 -9.092 -9.538 1.00 10.00 C ATOM 811 O HIS B 4 0.544 -9.190 -9.863 1.00 10.00 O ATOM 812 CB HIS B 4 -1.375 -9.353 -11.925 1.00 10.00 C ATOM 813 CG HIS B 4 -2.624 -9.292 -12.762 1.00 10.00 C ATOM 814 ND1 HIS B 4 -3.576 -10.300 -12.747 1.00 10.00 N ATOM 815 CD2 HIS B 4 -3.093 -8.349 -13.644 1.00 10.00 C ATOM 816 CE1 HIS B 4 -4.559 -9.943 -13.593 1.00 10.00 C ATOM 817 NE2 HIS B 4 -4.314 -8.763 -14.168 1.00 10.00 N ATOM 0 H HIS B 4 -2.922 -7.793 -10.554 1.00 10.00 H new ATOM 0 HA HIS B 4 -1.908 -10.631 -10.236 1.00 10.00 H new ATOM 0 HB2 HIS B 4 -0.810 -8.427 -12.030 1.00 10.00 H new ATOM 0 HB3 HIS B 4 -0.731 -10.161 -12.273 1.00 10.00 H new ATOM 0 HD2 HIS B 4 -2.590 -7.426 -13.893 1.00 10.00 H new ATOM 0 HE1 HIS B 4 -5.440 -10.538 -13.784 1.00 10.00 H new ATOM 0 HE2 HIS B 4 -4.896 -8.271 -14.846 1.00 10.00 H new ATOM 825 N ILE B 5 -0.966 -8.571 -8.392 1.00 10.00 N ATOM 826 CA ILE B 5 0.083 -8.081 -7.452 1.00 10.00 C ATOM 827 C ILE B 5 0.101 -8.943 -6.186 1.00 10.00 C ATOM 828 O ILE B 5 -0.927 -9.370 -5.702 1.00 10.00 O ATOM 829 CB ILE B 5 -0.328 -6.647 -7.116 1.00 10.00 C ATOM 830 CG1 ILE B 5 -0.296 -5.797 -8.393 1.00 10.00 C ATOM 831 CG2 ILE B 5 0.636 -6.068 -6.077 1.00 10.00 C ATOM 832 CD1 ILE B 5 1.091 -5.178 -8.581 1.00 10.00 C ATOM 0 H ILE B 5 -1.926 -8.463 -8.066 1.00 10.00 H new ATOM 0 HA ILE B 5 1.082 -8.129 -7.885 1.00 10.00 H new ATOM 0 HB ILE B 5 -1.338 -6.641 -6.706 1.00 10.00 H new ATOM 0 HG12 ILE B 5 -0.547 -6.414 -9.256 1.00 10.00 H new ATOM 0 HG13 ILE B 5 -1.048 -5.011 -8.334 1.00 10.00 H new ATOM 0 HG21 ILE B 5 0.342 -5.046 -5.838 1.00 10.00 H new ATOM 0 HG22 ILE B 5 0.604 -6.676 -5.173 1.00 10.00 H new ATOM 0 HG23 ILE B 5 1.649 -6.070 -6.480 1.00 10.00 H new ATOM 0 HD11 ILE B 5 1.101 -4.577 -9.490 1.00 10.00 H new ATOM 0 HD12 ILE B 5 1.326 -4.545 -7.725 1.00 10.00 H new ATOM 0 HD13 ILE B 5 1.835 -5.970 -8.661 1.00 10.00 H new ATOM 844 N GLN B 6 1.262 -9.202 -5.650 1.00 10.00 N ATOM 845 CA GLN B 6 1.342 -10.036 -4.416 1.00 10.00 C ATOM 846 C GLN B 6 2.094 -9.283 -3.316 1.00 10.00 C ATOM 847 O GLN B 6 2.983 -8.499 -3.582 1.00 10.00 O ATOM 848 CB GLN B 6 2.116 -11.287 -4.836 1.00 10.00 C ATOM 849 CG GLN B 6 1.215 -12.514 -4.698 1.00 10.00 C ATOM 850 CD GLN B 6 1.451 -13.456 -5.880 1.00 10.00 C ATOM 851 OE1 GLN B 6 1.865 -14.585 -5.699 1.00 10.00 O ATOM 852 NE2 GLN B 6 1.204 -13.038 -7.091 1.00 10.00 N ATOM 0 H GLN B 6 2.157 -8.873 -6.012 1.00 10.00 H new ATOM 0 HA GLN B 6 0.358 -10.280 -4.016 1.00 10.00 H new ATOM 0 HB2 GLN B 6 2.458 -11.187 -5.866 1.00 10.00 H new ATOM 0 HB3 GLN B 6 3.005 -11.403 -4.215 1.00 10.00 H new ATOM 0 HG2 GLN B 6 1.426 -13.029 -3.761 1.00 10.00 H new ATOM 0 HG3 GLN B 6 0.169 -12.209 -4.666 1.00 10.00 H new ATOM 0 HE21 GLN B 6 0.857 -12.091 -7.243 1.00 10.00 H new ATOM 0 HE22 GLN B 6 1.358 -13.658 -7.886 1.00 10.00 H new ATOM 861 N ILE B 7 1.744 -9.515 -2.080 1.00 10.00 N ATOM 862 CA ILE B 7 2.439 -8.814 -0.962 1.00 10.00 C ATOM 863 C ILE B 7 3.620 -9.653 -0.467 1.00 10.00 C ATOM 864 O ILE B 7 3.437 -10.733 0.057 1.00 10.00 O ATOM 865 CB ILE B 7 1.384 -8.675 0.135 1.00 10.00 C ATOM 866 CG1 ILE B 7 0.074 -8.179 -0.480 1.00 10.00 C ATOM 867 CG2 ILE B 7 1.866 -7.670 1.181 1.00 10.00 C ATOM 868 CD1 ILE B 7 0.361 -6.984 -1.393 1.00 10.00 C ATOM 0 H ILE B 7 1.007 -10.160 -1.796 1.00 10.00 H new ATOM 0 HA ILE B 7 2.840 -7.847 -1.266 1.00 10.00 H new ATOM 0 HB ILE B 7 1.222 -9.643 0.608 1.00 10.00 H new ATOM 0 HG12 ILE B 7 -0.400 -8.979 -1.048 1.00 10.00 H new ATOM 0 HG13 ILE B 7 -0.623 -7.891 0.306 1.00 10.00 H new ATOM 0 HG21 ILE B 7 1.114 -7.570 1.964 1.00 10.00 H new ATOM 0 HG22 ILE B 7 2.801 -8.020 1.619 1.00 10.00 H new ATOM 0 HG23 ILE B 7 2.027 -6.701 0.708 1.00 10.00 H new ATOM 0 HD11 ILE B 7 -0.571 -6.629 -1.832 1.00 10.00 H new ATOM 0 HD12 ILE B 7 0.816 -6.182 -0.811 1.00 10.00 H new ATOM 0 HD13 ILE B 7 1.043 -7.288 -2.187 1.00 10.00 H new ATOM 880 N PRO B 8 4.798 -9.124 -0.655 1.00 10.00 N ATOM 881 CA PRO B 8 6.029 -9.832 -0.226 1.00 10.00 C ATOM 882 C PRO B 8 6.153 -9.818 1.303 1.00 10.00 C ATOM 883 O PRO B 8 6.056 -8.778 1.924 1.00 10.00 O ATOM 884 CB PRO B 8 7.148 -9.031 -0.872 1.00 10.00 C ATOM 885 CG PRO B 8 6.577 -7.669 -1.062 1.00 10.00 C ATOM 886 CD PRO B 8 5.096 -7.833 -1.277 1.00 10.00 C ATOM 0 HA PRO B 8 6.042 -10.882 -0.519 1.00 10.00 H new ATOM 0 HB2 PRO B 8 8.033 -9.004 -0.237 1.00 10.00 H new ATOM 0 HB3 PRO B 8 7.451 -9.470 -1.823 1.00 10.00 H new ATOM 0 HG2 PRO B 8 6.772 -7.045 -0.190 1.00 10.00 H new ATOM 0 HG3 PRO B 8 7.038 -7.175 -1.917 1.00 10.00 H new ATOM 0 HD2 PRO B 8 4.532 -7.024 -0.812 1.00 10.00 H new ATOM 0 HD3 PRO B 8 4.842 -7.831 -2.337 1.00 10.00 H new ATOM 894 N PRO B 9 6.358 -10.984 1.857 1.00 10.00 N ATOM 895 CA PRO B 9 6.493 -11.120 3.330 1.00 10.00 C ATOM 896 C PRO B 9 7.852 -10.596 3.801 1.00 10.00 C ATOM 897 O PRO B 9 8.884 -10.942 3.262 1.00 10.00 O ATOM 898 CB PRO B 9 6.385 -12.624 3.561 1.00 10.00 C ATOM 899 CG PRO B 9 6.812 -13.249 2.270 1.00 10.00 C ATOM 900 CD PRO B 9 6.479 -12.273 1.169 1.00 10.00 C ATOM 0 HA PRO B 9 5.744 -10.550 3.880 1.00 10.00 H new ATOM 0 HB2 PRO B 9 7.025 -12.943 4.384 1.00 10.00 H new ATOM 0 HB3 PRO B 9 5.366 -12.911 3.820 1.00 10.00 H new ATOM 0 HG2 PRO B 9 7.880 -13.465 2.282 1.00 10.00 H new ATOM 0 HG3 PRO B 9 6.297 -14.197 2.113 1.00 10.00 H new ATOM 0 HD2 PRO B 9 7.260 -12.247 0.409 1.00 10.00 H new ATOM 0 HD3 PRO B 9 5.552 -12.544 0.664 1.00 10.00 H new ATOM 908 N GLY B 10 7.859 -9.766 4.808 1.00 10.00 N ATOM 909 CA GLY B 10 9.148 -9.223 5.315 1.00 10.00 C ATOM 910 C GLY B 10 9.549 -7.996 4.493 1.00 10.00 C ATOM 911 O GLY B 10 10.336 -7.180 4.925 1.00 10.00 O ATOM 0 H GLY B 10 7.027 -9.441 5.301 1.00 10.00 H new ATOM 0 HA2 GLY B 10 9.051 -8.953 6.367 1.00 10.00 H new ATOM 0 HA3 GLY B 10 9.925 -9.985 5.252 1.00 10.00 H new ATOM 915 N LEU B 11 9.014 -7.859 3.310 1.00 10.00 N ATOM 916 CA LEU B 11 9.369 -6.682 2.467 1.00 10.00 C ATOM 917 C LEU B 11 8.623 -5.439 2.953 1.00 10.00 C ATOM 918 O LEU B 11 9.205 -4.537 3.523 1.00 10.00 O ATOM 919 CB LEU B 11 8.923 -7.056 1.054 1.00 10.00 C ATOM 920 CG LEU B 11 10.108 -7.638 0.284 1.00 10.00 C ATOM 921 CD1 LEU B 11 10.201 -9.141 0.547 1.00 10.00 C ATOM 922 CD2 LEU B 11 9.915 -7.394 -1.216 1.00 10.00 C ATOM 0 H LEU B 11 8.348 -8.509 2.892 1.00 10.00 H new ATOM 0 HA LEU B 11 10.433 -6.451 2.510 1.00 10.00 H new ATOM 0 HB2 LEU B 11 8.111 -7.782 1.097 1.00 10.00 H new ATOM 0 HB3 LEU B 11 8.537 -6.177 0.538 1.00 10.00 H new ATOM 0 HG LEU B 11 11.027 -7.154 0.615 1.00 10.00 H new ATOM 0 HD11 LEU B 11 11.046 -9.555 -0.003 1.00 10.00 H new ATOM 0 HD12 LEU B 11 10.341 -9.316 1.614 1.00 10.00 H new ATOM 0 HD13 LEU B 11 9.282 -9.626 0.218 1.00 10.00 H new ATOM 0 HD21 LEU B 11 10.761 -7.809 -1.764 1.00 10.00 H new ATOM 0 HD22 LEU B 11 8.995 -7.876 -1.548 1.00 10.00 H new ATOM 0 HD23 LEU B 11 9.851 -6.322 -1.405 1.00 10.00 H new ATOM 934 N THR B 12 7.337 -5.386 2.731 1.00 10.00 N ATOM 935 CA THR B 12 6.549 -4.201 3.179 1.00 10.00 C ATOM 936 C THR B 12 7.025 -3.742 4.558 1.00 10.00 C ATOM 937 O THR B 12 7.605 -2.686 4.710 1.00 10.00 O ATOM 938 CB THR B 12 5.100 -4.693 3.238 1.00 10.00 C ATOM 939 OG1 THR B 12 4.520 -4.595 1.945 1.00 10.00 O ATOM 940 CG2 THR B 12 4.303 -3.836 4.225 1.00 10.00 C ATOM 0 H THR B 12 6.798 -6.112 2.259 1.00 10.00 H new ATOM 0 HA THR B 12 6.661 -3.348 2.510 1.00 10.00 H new ATOM 0 HB THR B 12 5.081 -5.731 3.570 1.00 10.00 H new ATOM 0 HG1 THR B 12 3.593 -4.911 1.978 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.273 -4.189 4.264 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.750 -3.912 5.216 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.318 -2.796 3.899 1.00 10.00 H new ATOM 948 N GLU B 13 6.781 -4.533 5.561 1.00 10.00 N ATOM 949 CA GLU B 13 7.215 -4.158 6.937 1.00 10.00 C ATOM 950 C GLU B 13 8.616 -3.536 6.902 1.00 10.00 C ATOM 951 O GLU B 13 8.828 -2.433 7.366 1.00 10.00 O ATOM 952 CB GLU B 13 7.235 -5.474 7.714 1.00 10.00 C ATOM 953 CG GLU B 13 6.185 -5.429 8.827 1.00 10.00 C ATOM 954 CD GLU B 13 6.879 -5.552 10.185 1.00 10.00 C ATOM 955 OE1 GLU B 13 7.670 -6.467 10.343 1.00 10.00 O ATOM 956 OE2 GLU B 13 6.607 -4.728 11.042 1.00 10.00 O ATOM 0 H GLU B 13 6.297 -5.428 5.489 1.00 10.00 H new ATOM 0 HA GLU B 13 6.553 -3.422 7.393 1.00 10.00 H new ATOM 0 HB2 GLU B 13 7.032 -6.308 7.042 1.00 10.00 H new ATOM 0 HB3 GLU B 13 8.224 -5.642 8.140 1.00 10.00 H new ATOM 0 HG2 GLU B 13 5.624 -4.496 8.776 1.00 10.00 H new ATOM 0 HG3 GLU B 13 5.467 -6.239 8.698 1.00 10.00 H new ATOM 963 N LEU B 14 9.573 -4.238 6.357 1.00 10.00 N ATOM 964 CA LEU B 14 10.959 -3.689 6.295 1.00 10.00 C ATOM 965 C LEU B 14 10.980 -2.378 5.505 1.00 10.00 C ATOM 966 O LEU B 14 11.341 -1.338 6.019 1.00 10.00 O ATOM 967 CB LEU B 14 11.776 -4.762 5.573 1.00 10.00 C ATOM 968 CG LEU B 14 13.236 -4.313 5.472 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.842 -4.229 6.874 1.00 10.00 C ATOM 970 CD2 LEU B 14 14.025 -5.325 4.638 1.00 10.00 C ATOM 0 H LEU B 14 9.455 -5.167 5.952 1.00 10.00 H new ATOM 0 HA LEU B 14 11.358 -3.466 7.285 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.712 -5.707 6.113 1.00 10.00 H new ATOM 0 HB3 LEU B 14 11.368 -4.935 4.577 1.00 10.00 H new ATOM 0 HG LEU B 14 13.282 -3.334 4.996 1.00 10.00 H new ATOM 0 HD11 LEU B 14 14.882 -3.909 6.802 1.00 10.00 H new ATOM 0 HD12 LEU B 14 13.281 -3.509 7.470 1.00 10.00 H new ATOM 0 HD13 LEU B 14 13.796 -5.209 7.350 1.00 10.00 H new ATOM 0 HD21 LEU B 14 15.065 -5.005 4.566 1.00 10.00 H new ATOM 0 HD22 LEU B 14 13.979 -6.304 5.115 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.595 -5.387 3.639 1.00 10.00 H new ATOM 982 N LEU B 15 10.599 -2.420 4.257 1.00 10.00 N ATOM 983 CA LEU B 15 10.600 -1.176 3.433 1.00 10.00 C ATOM 984 C LEU B 15 9.792 -0.076 4.126 1.00 10.00 C ATOM 985 O LEU B 15 10.335 0.914 4.573 1.00 10.00 O ATOM 986 CB LEU B 15 9.944 -1.576 2.113 1.00 10.00 C ATOM 987 CG LEU B 15 10.895 -2.480 1.327 1.00 10.00 C ATOM 988 CD1 LEU B 15 10.136 -3.142 0.177 1.00 10.00 C ATOM 989 CD2 LEU B 15 12.044 -1.643 0.762 1.00 10.00 C ATOM 0 H LEU B 15 10.287 -3.261 3.772 1.00 10.00 H new ATOM 0 HA LEU B 15 11.605 -0.781 3.285 1.00 10.00 H new ATOM 0 HB2 LEU B 15 9.005 -2.096 2.304 1.00 10.00 H new ATOM 0 HB3 LEU B 15 9.704 -0.687 1.529 1.00 10.00 H new ATOM 0 HG LEU B 15 11.295 -3.248 1.989 1.00 10.00 H new ATOM 0 HD11 LEU B 15 10.814 -3.786 -0.383 1.00 10.00 H new ATOM 0 HD12 LEU B 15 9.316 -3.739 0.578 1.00 10.00 H new ATOM 0 HD13 LEU B 15 9.736 -2.374 -0.485 1.00 10.00 H new ATOM 0 HD21 LEU B 15 12.722 -2.287 0.202 1.00 10.00 H new ATOM 0 HD22 LEU B 15 11.644 -0.875 0.100 1.00 10.00 H new ATOM 0 HD23 LEU B 15 12.586 -1.170 1.581 1.00 10.00 H new ATOM 1001 N GLN B 16 8.498 -0.240 4.218 1.00 10.00 N ATOM 1002 CA GLN B 16 7.661 0.800 4.884 1.00 10.00 C ATOM 1003 C GLN B 16 8.388 1.352 6.110 1.00 10.00 C ATOM 1004 O GLN B 16 8.435 2.545 6.331 1.00 10.00 O ATOM 1005 CB GLN B 16 6.380 0.076 5.299 1.00 10.00 C ATOM 1006 CG GLN B 16 5.234 0.493 4.374 1.00 10.00 C ATOM 1007 CD GLN B 16 5.726 0.530 2.925 1.00 10.00 C ATOM 1008 OE1 GLN B 16 6.117 -0.482 2.377 1.00 10.00 O ATOM 1009 NE2 GLN B 16 5.721 1.662 2.277 1.00 10.00 N ATOM 0 H GLN B 16 7.986 -1.047 3.862 1.00 10.00 H new ATOM 0 HA GLN B 16 7.453 1.646 4.229 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.527 -1.003 5.249 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.133 0.317 6.333 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.405 -0.208 4.468 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.858 1.474 4.665 1.00 10.00 H new ATOM 0 HE21 GLN B 16 5.393 2.511 2.737 1.00 10.00 H new ATOM 0 HE22 GLN B 16 6.045 1.698 1.311 1.00 10.00 H new ATOM 1018 N GLY B 17 8.964 0.494 6.906 1.00 10.00 N ATOM 1019 CA GLY B 17 9.694 0.978 8.109 1.00 10.00 C ATOM 1020 C GLY B 17 10.601 2.141 7.705 1.00 10.00 C ATOM 1021 O GLY B 17 10.622 3.177 8.342 1.00 10.00 O ATOM 0 H GLY B 17 8.960 -0.518 6.775 1.00 10.00 H new ATOM 0 HA2 GLY B 17 8.988 1.299 8.874 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.286 0.171 8.541 1.00 10.00 H new ATOM 1025 N TYR B 18 11.344 1.987 6.640 1.00 10.00 N ATOM 1026 CA TYR B 18 12.230 3.076 6.191 1.00 10.00 C ATOM 1027 C TYR B 18 11.378 4.181 5.551 1.00 10.00 C ATOM 1028 O TYR B 18 11.516 5.344 5.877 1.00 10.00 O ATOM 1029 CB TYR B 18 13.193 2.354 5.233 1.00 10.00 C ATOM 1030 CG TYR B 18 13.334 3.051 3.907 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.089 4.411 3.787 1.00 10.00 C ATOM 1032 CD2 TYR B 18 13.733 2.309 2.800 1.00 10.00 C ATOM 1033 CE1 TYR B 18 13.243 5.044 2.550 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.891 2.934 1.556 1.00 10.00 C ATOM 1035 CZ TYR B 18 13.648 4.306 1.432 1.00 10.00 C ATOM 1036 OH TYR B 18 13.802 4.932 0.210 1.00 10.00 O ATOM 0 H TYR B 18 11.368 1.145 6.065 1.00 10.00 H new ATOM 0 HA TYR B 18 12.791 3.593 6.969 1.00 10.00 H new ATOM 0 HB2 TYR B 18 14.174 2.276 5.703 1.00 10.00 H new ATOM 0 HB3 TYR B 18 12.837 1.337 5.067 1.00 10.00 H new ATOM 0 HD1 TYR B 18 12.779 4.981 4.650 1.00 10.00 H new ATOM 0 HD2 TYR B 18 13.921 1.250 2.900 1.00 10.00 H new ATOM 0 HE1 TYR B 18 13.049 6.102 2.457 1.00 10.00 H new ATOM 0 HE2 TYR B 18 14.199 2.358 0.696 1.00 10.00 H new ATOM 0 HH TYR B 18 13.848 4.258 -0.500 1.00 10.00 H new ATOM 1046 N THR B 19 10.480 3.836 4.671 1.00 10.00 N ATOM 1047 CA THR B 19 9.617 4.885 4.047 1.00 10.00 C ATOM 1048 C THR B 19 8.990 5.780 5.128 1.00 10.00 C ATOM 1049 O THR B 19 8.763 6.955 4.919 1.00 10.00 O ATOM 1050 CB THR B 19 8.530 4.109 3.302 1.00 10.00 C ATOM 1051 OG1 THR B 19 9.087 3.523 2.133 1.00 10.00 O ATOM 1052 CG2 THR B 19 7.392 5.058 2.912 1.00 10.00 C ATOM 0 H THR B 19 10.305 2.882 4.357 1.00 10.00 H new ATOM 0 HA THR B 19 10.183 5.540 3.385 1.00 10.00 H new ATOM 0 HB THR B 19 8.135 3.325 3.949 1.00 10.00 H new ATOM 0 HG1 THR B 19 9.621 2.740 2.382 1.00 10.00 H new ATOM 0 HG21 THR B 19 6.620 4.501 2.381 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.966 5.503 3.811 1.00 10.00 H new ATOM 0 HG23 THR B 19 7.780 5.845 2.266 1.00 10.00 H new ATOM 1060 N VAL B 20 8.702 5.230 6.277 1.00 10.00 N ATOM 1061 CA VAL B 20 8.080 6.047 7.364 1.00 10.00 C ATOM 1062 C VAL B 20 9.115 6.971 8.013 1.00 10.00 C ATOM 1063 O VAL B 20 8.807 8.076 8.414 1.00 10.00 O ATOM 1064 CB VAL B 20 7.573 5.026 8.381 1.00 10.00 C ATOM 1065 CG1 VAL B 20 7.111 5.748 9.647 1.00 10.00 C ATOM 1066 CG2 VAL B 20 6.399 4.252 7.778 1.00 10.00 C ATOM 0 H VAL B 20 8.870 4.252 6.512 1.00 10.00 H new ATOM 0 HA VAL B 20 7.284 6.688 6.984 1.00 10.00 H new ATOM 0 HB VAL B 20 8.377 4.334 8.634 1.00 10.00 H new ATOM 0 HG11 VAL B 20 6.750 5.018 10.371 1.00 10.00 H new ATOM 0 HG12 VAL B 20 7.947 6.301 10.076 1.00 10.00 H new ATOM 0 HG13 VAL B 20 6.307 6.440 9.398 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.035 3.522 8.501 1.00 10.00 H new ATOM 0 HG22 VAL B 20 5.597 4.946 7.527 1.00 10.00 H new ATOM 0 HG23 VAL B 20 6.728 3.736 6.876 1.00 10.00 H new ATOM 1076 N GLU B 21 10.340 6.533 8.118 1.00 10.00 N ATOM 1077 CA GLU B 21 11.383 7.406 8.746 1.00 10.00 C ATOM 1078 C GLU B 21 11.632 8.614 7.850 1.00 10.00 C ATOM 1079 O GLU B 21 11.559 9.751 8.273 1.00 10.00 O ATOM 1080 CB GLU B 21 12.669 6.575 8.849 1.00 10.00 C ATOM 1081 CG GLU B 21 12.346 5.088 8.817 1.00 10.00 C ATOM 1082 CD GLU B 21 13.474 4.304 9.489 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.440 3.997 8.811 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.353 4.025 10.670 1.00 10.00 O ATOM 0 H GLU B 21 10.665 5.620 7.801 1.00 10.00 H new ATOM 0 HA GLU B 21 11.064 7.753 9.729 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.338 6.826 8.026 1.00 10.00 H new ATOM 0 HB3 GLU B 21 13.194 6.819 9.772 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.403 4.899 9.330 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.221 4.755 7.787 1.00 10.00 H new ATOM 1091 N VAL B 22 11.928 8.363 6.609 1.00 10.00 N ATOM 1092 CA VAL B 22 12.189 9.475 5.658 1.00 10.00 C ATOM 1093 C VAL B 22 11.087 10.528 5.767 1.00 10.00 C ATOM 1094 O VAL B 22 11.352 11.710 5.838 1.00 10.00 O ATOM 1095 CB VAL B 22 12.175 8.815 4.283 1.00 10.00 C ATOM 1096 CG1 VAL B 22 12.760 9.771 3.252 1.00 10.00 C ATOM 1097 CG2 VAL B 22 13.023 7.546 4.324 1.00 10.00 C ATOM 0 H VAL B 22 12.001 7.428 6.209 1.00 10.00 H new ATOM 0 HA VAL B 22 13.131 9.986 5.856 1.00 10.00 H new ATOM 0 HB VAL B 22 11.149 8.567 4.011 1.00 10.00 H new ATOM 0 HG11 VAL B 22 12.749 9.298 2.270 1.00 10.00 H new ATOM 0 HG12 VAL B 22 12.164 10.683 3.222 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.786 10.017 3.525 1.00 10.00 H new ATOM 0 HG21 VAL B 22 13.015 7.071 3.343 1.00 10.00 H new ATOM 0 HG22 VAL B 22 14.047 7.801 4.596 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.613 6.858 5.063 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.854 10.111 5.788 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.745 11.097 5.901 1.00 10.00 C ATOM 1109 C LEU B 23B 8.885 11.891 7.201 1.00 10.00 C ATOM 1110 O LEU B 23B 8.479 13.032 7.290 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.467 10.259 5.920 1.00 10.00 C ATOM 1112 CG LEU B 23B 7.053 9.929 4.487 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 5.723 9.174 4.500 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 6.894 11.229 3.695 1.00 10.00 C ATOM 0 H LEU B 23B 9.566 9.134 5.732 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.744 11.817 5.083 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.630 9.340 6.483 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 6.669 10.805 6.424 1.00 10.00 H new ATOM 0 HG LEU B 23B 7.817 9.307 4.020 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 5.428 8.939 3.477 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 5.835 8.250 5.067 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 4.957 9.795 4.965 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 6.599 10.998 2.672 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 6.129 11.849 4.162 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 7.841 11.768 3.686 1.00 10.00 H new ATOM 1126 N ARG B 24 9.458 11.294 8.211 1.00 10.00 N ATOM 1127 CA ARG B 24 9.621 12.015 9.505 1.00 10.00 C ATOM 1128 C ARG B 24 10.919 12.830 9.506 1.00 10.00 C ATOM 1129 O ARG B 24 11.465 13.138 10.546 1.00 10.00 O ATOM 1130 CB ARG B 24 9.675 10.918 10.570 1.00 10.00 C ATOM 1131 CG ARG B 24 8.252 10.484 10.927 1.00 10.00 C ATOM 1132 CD ARG B 24 7.993 10.746 12.412 1.00 10.00 C ATOM 1133 NE ARG B 24 6.699 11.482 12.456 1.00 10.00 N ATOM 1134 CZ ARG B 24 5.572 10.823 12.486 1.00 10.00 C ATOM 1135 NH1 ARG B 24 5.409 9.842 13.332 1.00 10.00 N ATOM 1136 NH2 ARG B 24 4.604 11.148 11.674 1.00 10.00 N ATOM 0 H ARG B 24 9.819 10.340 8.196 1.00 10.00 H new ATOM 0 HA ARG B 24 8.808 12.719 9.685 1.00 10.00 H new ATOM 0 HB2 ARG B 24 10.245 10.065 10.201 1.00 10.00 H new ATOM 0 HB3 ARG B 24 10.189 11.284 11.459 1.00 10.00 H new ATOM 0 HG2 ARG B 24 7.531 11.031 10.320 1.00 10.00 H new ATOM 0 HG3 ARG B 24 8.117 9.425 10.705 1.00 10.00 H new ATOM 0 HD2 ARG B 24 7.935 9.813 12.973 1.00 10.00 H new ATOM 0 HD3 ARG B 24 8.797 11.335 12.855 1.00 10.00 H new ATOM 0 HE ARG B 24 6.693 12.502 12.463 1.00 10.00 H new ATOM 0 HH11 ARG B 24 6.163 9.589 13.971 1.00 10.00 H new ATOM 0 HH12 ARG B 24 4.528 9.329 13.354 1.00 10.00 H new ATOM 0 HH21 ARG B 24 4.727 11.917 11.015 1.00 10.00 H new ATOM 0 HH22 ARG B 24 3.724 10.633 11.698 1.00 10.00 H new ATOM 1150 N GLN B 25 11.413 13.186 8.351 1.00 10.00 N ATOM 1151 CA GLN B 25 12.670 13.986 8.299 1.00 10.00 C ATOM 1152 C GLN B 25 12.878 14.553 6.893 1.00 10.00 C ATOM 1153 O GLN B 25 13.346 15.661 6.720 1.00 10.00 O ATOM 1154 CB GLN B 25 13.787 13.003 8.680 1.00 10.00 C ATOM 1155 CG GLN B 25 14.539 12.527 7.431 1.00 10.00 C ATOM 1156 CD GLN B 25 15.937 12.054 7.829 1.00 10.00 C ATOM 1157 OE1 GLN B 25 16.097 11.338 8.796 1.00 10.00 O ATOM 1158 NE2 GLN B 25 16.965 12.430 7.116 1.00 10.00 N ATOM 0 H GLN B 25 11.003 12.959 7.445 1.00 10.00 H new ATOM 0 HA GLN B 25 12.649 14.842 8.974 1.00 10.00 H new ATOM 0 HB2 GLN B 25 14.482 13.484 9.368 1.00 10.00 H new ATOM 0 HB3 GLN B 25 13.362 12.146 9.203 1.00 10.00 H new ATOM 0 HG2 GLN B 25 13.992 11.716 6.951 1.00 10.00 H new ATOM 0 HG3 GLN B 25 14.610 13.337 6.705 1.00 10.00 H new ATOM 0 HE21 GLN B 25 16.830 13.032 6.304 1.00 10.00 H new ATOM 0 HE22 GLN B 25 17.903 12.122 7.372 1.00 10.00 H new ATOM 1167 N GLN B 26 12.531 13.799 5.890 1.00 10.00 N ATOM 1168 CA GLN B 26 12.704 14.284 4.491 1.00 10.00 C ATOM 1169 C GLN B 26 14.169 14.655 4.234 1.00 10.00 C ATOM 1170 O GLN B 26 14.536 15.812 4.280 1.00 10.00 O ATOM 1171 CB GLN B 26 11.808 15.519 4.387 1.00 10.00 C ATOM 1172 CG GLN B 26 10.818 15.335 3.235 1.00 10.00 C ATOM 1173 CD GLN B 26 11.563 15.433 1.902 1.00 10.00 C ATOM 1174 OE1 GLN B 26 12.676 15.916 1.848 1.00 10.00 O ATOM 1175 NE2 GLN B 26 10.991 14.991 0.816 1.00 10.00 N ATOM 0 H GLN B 26 12.133 12.864 5.977 1.00 10.00 H new ATOM 0 HA GLN B 26 12.438 13.525 3.755 1.00 10.00 H new ATOM 0 HB2 GLN B 26 11.270 15.671 5.323 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.415 16.409 4.220 1.00 10.00 H new ATOM 0 HG2 GLN B 26 10.324 14.367 3.317 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.039 16.096 3.285 1.00 10.00 H new ATOM 0 HE21 GLN B 26 10.056 14.585 0.861 1.00 10.00 H new ATOM 0 HE22 GLN B 26 11.479 15.051 -0.078 1.00 10.00 H new ATOM 1184 N PRO B 27 14.957 13.647 3.968 1.00 10.00 N ATOM 1185 CA PRO B 27 16.400 13.854 3.696 1.00 10.00 C ATOM 1186 C PRO B 27 16.598 14.548 2.346 1.00 10.00 C ATOM 1187 O PRO B 27 15.672 14.672 1.568 1.00 10.00 O ATOM 1188 CB PRO B 27 16.967 12.436 3.668 1.00 10.00 C ATOM 1189 CG PRO B 27 15.803 11.568 3.321 1.00 10.00 C ATOM 1190 CD PRO B 27 14.584 12.235 3.898 1.00 10.00 C ATOM 0 HA PRO B 27 16.888 14.488 4.436 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.764 12.343 2.930 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.392 12.161 4.633 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.710 11.458 2.241 1.00 10.00 H new ATOM 0 HG3 PRO B 27 15.929 10.567 3.734 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.709 12.084 3.266 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.339 11.837 4.883 1.00 10.00 H new ATOM 1198 N PRO B 28 17.807 14.976 2.113 1.00 10.00 N ATOM 1199 CA PRO B 28 18.142 15.665 0.845 1.00 10.00 C ATOM 1200 C PRO B 28 18.097 14.679 -0.326 1.00 10.00 C ATOM 1201 O PRO B 28 18.208 15.058 -1.475 1.00 10.00 O ATOM 1202 CB PRO B 28 19.560 16.175 1.078 1.00 10.00 C ATOM 1203 CG PRO B 28 20.121 15.273 2.128 1.00 10.00 C ATOM 1204 CD PRO B 28 18.966 14.865 3.001 1.00 10.00 C ATOM 0 HA PRO B 28 17.446 16.465 0.593 1.00 10.00 H new ATOM 0 HB2 PRO B 28 20.151 16.133 0.163 1.00 10.00 H new ATOM 0 HB3 PRO B 28 19.558 17.214 1.409 1.00 10.00 H new ATOM 0 HG2 PRO B 28 20.594 14.400 1.678 1.00 10.00 H new ATOM 0 HG3 PRO B 28 20.886 15.785 2.711 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.087 13.849 3.377 1.00 10.00 H new ATOM 0 HD3 PRO B 28 18.870 15.517 3.869 1.00 10.00 H new ATOM 1212 N ASP B 29 17.934 13.416 -0.043 1.00 10.00 N ATOM 1213 CA ASP B 29 17.881 12.406 -1.139 1.00 10.00 C ATOM 1214 C ASP B 29 17.494 11.039 -0.570 1.00 10.00 C ATOM 1215 O ASP B 29 18.055 10.580 0.405 1.00 10.00 O ATOM 1216 CB ASP B 29 19.295 12.368 -1.723 1.00 10.00 C ATOM 1217 CG ASP B 29 20.324 12.503 -0.598 1.00 10.00 C ATOM 1218 OD1 ASP B 29 20.673 13.627 -0.274 1.00 10.00 O ATOM 1219 OD2 ASP B 29 20.747 11.482 -0.082 1.00 10.00 O ATOM 0 H ASP B 29 17.835 13.039 0.900 1.00 10.00 H new ATOM 0 HA ASP B 29 17.141 12.658 -1.898 1.00 10.00 H new ATOM 0 HB2 ASP B 29 19.451 11.433 -2.261 1.00 10.00 H new ATOM 0 HB3 ASP B 29 19.423 13.176 -2.444 1.00 10.00 H new ATOM 1224 N LEU B 30 16.535 10.388 -1.169 1.00 10.00 N ATOM 1225 CA LEU B 30 16.108 9.054 -0.658 1.00 10.00 C ATOM 1226 C LEU B 30 17.084 7.966 -1.111 1.00 10.00 C ATOM 1227 O LEU B 30 17.636 7.245 -0.303 1.00 10.00 O ATOM 1228 CB LEU B 30 14.730 8.818 -1.269 1.00 10.00 C ATOM 1229 CG LEU B 30 14.213 7.453 -0.824 1.00 10.00 C ATOM 1230 CD1 LEU B 30 13.703 7.551 0.612 1.00 10.00 C ATOM 1231 CD2 LEU B 30 13.075 7.009 -1.745 1.00 10.00 C ATOM 0 H LEU B 30 16.029 10.721 -1.989 1.00 10.00 H new ATOM 0 HA LEU B 30 16.086 9.024 0.431 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.040 9.602 -0.955 1.00 10.00 H new ATOM 0 HB3 LEU B 30 14.789 8.862 -2.357 1.00 10.00 H new ATOM 0 HG LEU B 30 15.020 6.723 -0.875 1.00 10.00 H new ATOM 0 HD11 LEU B 30 13.333 6.578 0.934 1.00 10.00 H new ATOM 0 HD12 LEU B 30 14.516 7.864 1.266 1.00 10.00 H new ATOM 0 HD13 LEU B 30 12.895 8.281 0.662 1.00 10.00 H new ATOM 0 HD21 LEU B 30 12.707 6.034 -1.425 1.00 10.00 H new ATOM 0 HD22 LEU B 30 12.264 7.736 -1.698 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.442 6.940 -2.769 1.00 10.00 H new ATOM 1243 N VAL B 31 17.297 7.841 -2.395 1.00 10.00 N ATOM 1244 CA VAL B 31 18.241 6.799 -2.904 1.00 10.00 C ATOM 1245 C VAL B 31 19.326 6.517 -1.869 1.00 10.00 C ATOM 1246 O VAL B 31 19.400 5.448 -1.297 1.00 10.00 O ATOM 1247 CB VAL B 31 18.867 7.414 -4.153 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.731 6.367 -4.860 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.761 7.884 -5.099 1.00 10.00 C ATOM 0 H VAL B 31 16.858 8.415 -3.115 1.00 10.00 H new ATOM 0 HA VAL B 31 17.736 5.856 -3.111 1.00 10.00 H new ATOM 0 HB VAL B 31 19.487 8.264 -3.867 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.178 6.806 -5.752 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.520 6.031 -4.187 1.00 10.00 H new ATOM 0 HG13 VAL B 31 19.112 5.517 -5.146 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.208 8.323 -5.991 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.141 7.034 -5.384 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.145 8.630 -4.597 1.00 10.00 H new ATOM 1259 N ASP B 32 20.167 7.480 -1.626 1.00 10.00 N ATOM 1260 CA ASP B 32 21.253 7.293 -0.632 1.00 10.00 C ATOM 1261 C ASP B 32 20.672 6.803 0.696 1.00 10.00 C ATOM 1262 O ASP B 32 21.205 5.908 1.322 1.00 10.00 O ATOM 1263 CB ASP B 32 21.869 8.682 -0.487 1.00 10.00 C ATOM 1264 CG ASP B 32 23.393 8.575 -0.552 1.00 10.00 C ATOM 1265 OD1 ASP B 32 23.886 7.462 -0.630 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.041 9.608 -0.523 1.00 10.00 O ATOM 0 H ASP B 32 20.147 8.395 -2.077 1.00 10.00 H new ATOM 0 HA ASP B 32 21.989 6.549 -0.937 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.506 9.337 -1.279 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.565 9.129 0.460 1.00 10.00 H new ATOM 1271 N PHE B 33 19.578 7.370 1.128 1.00 10.00 N ATOM 1272 CA PHE B 33 18.970 6.913 2.408 1.00 10.00 C ATOM 1273 C PHE B 33 18.546 5.448 2.280 1.00 10.00 C ATOM 1274 O PHE B 33 18.835 4.629 3.130 1.00 10.00 O ATOM 1275 CB PHE B 33 17.751 7.812 2.623 1.00 10.00 C ATOM 1276 CG PHE B 33 16.980 7.324 3.827 1.00 10.00 C ATOM 1277 CD1 PHE B 33 16.282 6.111 3.766 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.966 8.081 5.006 1.00 10.00 C ATOM 1279 CE1 PHE B 33 15.571 5.656 4.883 1.00 10.00 C ATOM 1280 CE2 PHE B 33 16.256 7.624 6.123 1.00 10.00 C ATOM 1281 CZ PHE B 33 15.558 6.412 6.061 1.00 10.00 C ATOM 0 H PHE B 33 19.083 8.125 0.653 1.00 10.00 H new ATOM 0 HA PHE B 33 19.664 6.978 3.246 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.067 8.844 2.773 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.114 7.799 1.739 1.00 10.00 H new ATOM 0 HD1 PHE B 33 16.292 5.527 2.858 1.00 10.00 H new ATOM 0 HD2 PHE B 33 17.503 9.017 5.053 1.00 10.00 H new ATOM 0 HE1 PHE B 33 15.032 4.721 4.836 1.00 10.00 H new ATOM 0 HE2 PHE B 33 16.247 8.207 7.032 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.009 6.060 6.922 1.00 10.00 H new ATOM 1291 N ALA B 34 17.873 5.110 1.212 1.00 10.00 N ATOM 1292 CA ALA B 34 17.441 3.697 1.013 1.00 10.00 C ATOM 1293 C ALA B 34 18.647 2.762 1.147 1.00 10.00 C ATOM 1294 O ALA B 34 18.531 1.641 1.603 1.00 10.00 O ATOM 1295 CB ALA B 34 16.888 3.657 -0.413 1.00 10.00 C ATOM 0 H ALA B 34 17.604 5.753 0.468 1.00 10.00 H new ATOM 0 HA ALA B 34 16.702 3.376 1.747 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.546 2.648 -0.643 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.052 4.351 -0.499 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.671 3.943 -1.115 1.00 10.00 H new ATOM 1301 N VAL B 35 19.810 3.217 0.750 1.00 10.00 N ATOM 1302 CA VAL B 35 21.025 2.367 0.845 1.00 10.00 C ATOM 1303 C VAL B 35 21.680 2.533 2.222 1.00 10.00 C ATOM 1304 O VAL B 35 21.916 1.573 2.927 1.00 10.00 O ATOM 1305 CB VAL B 35 21.928 2.903 -0.270 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.392 2.616 0.046 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.556 2.227 -1.587 1.00 10.00 C ATOM 0 H VAL B 35 19.965 4.148 0.362 1.00 10.00 H new ATOM 0 HA VAL B 35 20.819 1.302 0.736 1.00 10.00 H new ATOM 0 HB VAL B 35 21.789 3.981 -0.350 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.020 3.003 -0.756 1.00 10.00 H new ATOM 0 HG12 VAL B 35 23.663 3.099 0.985 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.541 1.540 0.136 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.196 2.605 -2.384 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.691 1.149 -1.494 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.514 2.443 -1.825 1.00 10.00 H new ATOM 1317 N GLU B 36 21.975 3.745 2.608 1.00 10.00 N ATOM 1318 CA GLU B 36 22.616 3.970 3.936 1.00 10.00 C ATOM 1319 C GLU B 36 21.808 3.273 5.036 1.00 10.00 C ATOM 1320 O GLU B 36 22.357 2.716 5.965 1.00 10.00 O ATOM 1321 CB GLU B 36 22.611 5.492 4.122 1.00 10.00 C ATOM 1322 CG GLU B 36 21.996 5.855 5.478 1.00 10.00 C ATOM 1323 CD GLU B 36 22.203 7.346 5.753 1.00 10.00 C ATOM 1324 OE1 GLU B 36 23.224 7.684 6.331 1.00 10.00 O ATOM 1325 OE2 GLU B 36 21.339 8.122 5.382 1.00 10.00 O ATOM 0 H GLU B 36 21.800 4.589 2.062 1.00 10.00 H new ATOM 0 HA GLU B 36 23.626 3.563 3.990 1.00 10.00 H new ATOM 0 HB2 GLU B 36 23.629 5.877 4.061 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.044 5.962 3.319 1.00 10.00 H new ATOM 0 HG2 GLU B 36 20.932 5.619 5.481 1.00 10.00 H new ATOM 0 HG3 GLU B 36 22.457 5.262 6.268 1.00 10.00 H new ATOM 1332 N TYR B 37 20.508 3.303 4.940 1.00 10.00 N ATOM 1333 CA TYR B 37 19.671 2.643 5.981 1.00 10.00 C ATOM 1334 C TYR B 37 19.782 1.120 5.867 1.00 10.00 C ATOM 1335 O TYR B 37 20.129 0.442 6.813 1.00 10.00 O ATOM 1336 CB TYR B 37 18.241 3.099 5.690 1.00 10.00 C ATOM 1337 CG TYR B 37 17.289 2.412 6.640 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.249 2.793 7.988 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.444 1.397 6.175 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.366 2.157 8.870 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.561 0.761 7.057 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.523 1.141 8.404 1.00 10.00 C ATOM 1343 OH TYR B 37 14.652 0.514 9.273 1.00 10.00 O ATOM 0 H TYR B 37 19.989 3.755 4.187 1.00 10.00 H new ATOM 0 HA TYR B 37 19.986 2.908 6.990 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.164 4.181 5.800 1.00 10.00 H new ATOM 0 HB3 TYR B 37 17.976 2.864 4.659 1.00 10.00 H new ATOM 0 HD1 TYR B 37 17.899 3.577 8.347 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.473 1.104 5.136 1.00 10.00 H new ATOM 0 HE1 TYR B 37 16.336 2.450 9.909 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.910 -0.022 6.698 1.00 10.00 H new ATOM 0 HH TYR B 37 14.139 -0.166 8.788 1.00 10.00 H new ATOM 1353 N PHE B 38 19.490 0.578 4.716 1.00 10.00 N ATOM 1354 CA PHE B 38 19.578 -0.902 4.549 1.00 10.00 C ATOM 1355 C PHE B 38 21.040 -1.361 4.608 1.00 10.00 C ATOM 1356 O PHE B 38 21.390 -2.240 5.371 1.00 10.00 O ATOM 1357 CB PHE B 38 18.978 -1.183 3.171 1.00 10.00 C ATOM 1358 CG PHE B 38 17.474 -1.251 3.281 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.881 -2.032 4.281 1.00 10.00 C ATOM 1360 CD2 PHE B 38 16.673 -0.538 2.382 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.487 -2.098 4.383 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.277 -0.603 2.484 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.684 -1.384 3.484 1.00 10.00 C ATOM 0 H PHE B 38 19.195 1.093 3.886 1.00 10.00 H new ATOM 0 HA PHE B 38 19.050 -1.437 5.338 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.267 -0.400 2.470 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.367 -2.122 2.778 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.500 -2.583 4.973 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.131 0.062 1.610 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.030 -2.699 5.155 1.00 10.00 H new ATOM 0 HE2 PHE B 38 14.659 -0.051 1.792 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.608 -1.436 3.562 1.00 10.00 H new ATOM 1373 N THR B 39 21.896 -0.774 3.815 1.00 10.00 N ATOM 1374 CA THR B 39 23.332 -1.187 3.840 1.00 10.00 C ATOM 1375 C THR B 39 23.815 -1.300 5.287 1.00 10.00 C ATOM 1376 O THR B 39 24.496 -2.237 5.654 1.00 10.00 O ATOM 1377 CB THR B 39 24.086 -0.075 3.107 1.00 10.00 C ATOM 1378 OG1 THR B 39 23.800 -0.143 1.717 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.589 -0.247 3.326 1.00 10.00 C ATOM 0 H THR B 39 21.667 -0.031 3.155 1.00 10.00 H new ATOM 0 HA THR B 39 23.491 -2.157 3.370 1.00 10.00 H new ATOM 0 HB THR B 39 23.770 0.893 3.496 1.00 10.00 H new ATOM 0 HG1 THR B 39 24.638 -0.123 1.209 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.126 0.545 2.804 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.810 -0.193 4.392 1.00 10.00 H new ATOM 0 HG23 THR B 39 25.905 -1.216 2.938 1.00 10.00 H new ATOM 1387 N ARG B 40 23.463 -0.354 6.114 1.00 10.00 N ATOM 1388 CA ARG B 40 23.895 -0.415 7.538 1.00 10.00 C ATOM 1389 C ARG B 40 23.377 -1.703 8.182 1.00 10.00 C ATOM 1390 O ARG B 40 24.079 -2.365 8.921 1.00 10.00 O ATOM 1391 CB ARG B 40 23.266 0.813 8.196 1.00 10.00 C ATOM 1392 CG ARG B 40 24.339 1.881 8.420 1.00 10.00 C ATOM 1393 CD ARG B 40 23.922 2.789 9.581 1.00 10.00 C ATOM 1394 NE ARG B 40 24.246 2.015 10.811 1.00 10.00 N ATOM 1395 CZ ARG B 40 25.109 2.486 11.669 1.00 10.00 C ATOM 1396 NH1 ARG B 40 26.231 3.003 11.248 1.00 10.00 N ATOM 1397 NH2 ARG B 40 24.850 2.439 12.948 1.00 10.00 N ATOM 0 H ARG B 40 22.896 0.457 5.865 1.00 10.00 H new ATOM 0 HA ARG B 40 24.979 -0.418 7.647 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.470 1.209 7.565 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.810 0.536 9.147 1.00 10.00 H new ATOM 0 HG2 ARG B 40 25.297 1.409 8.639 1.00 10.00 H new ATOM 0 HG3 ARG B 40 24.475 2.471 7.514 1.00 10.00 H new ATOM 0 HD2 ARG B 40 24.463 3.735 9.556 1.00 10.00 H new ATOM 0 HD3 ARG B 40 22.860 3.028 9.533 1.00 10.00 H new ATOM 0 HE ARG B 40 23.794 1.117 10.983 1.00 10.00 H new ATOM 0 HH11 ARG B 40 26.433 3.039 10.249 1.00 10.00 H new ATOM 0 HH12 ARG B 40 26.906 3.371 11.918 1.00 10.00 H new ATOM 0 HH21 ARG B 40 23.973 2.034 13.276 1.00 10.00 H new ATOM 0 HH22 ARG B 40 25.524 2.807 13.619 1.00 10.00 H new ATOM 1411 N LEU B 41 22.154 -2.068 7.903 1.00 10.00 N ATOM 1412 CA LEU B 41 21.599 -3.319 8.495 1.00 10.00 C ATOM 1413 C LEU B 41 22.499 -4.503 8.141 1.00 10.00 C ATOM 1414 O LEU B 41 22.713 -5.395 8.938 1.00 10.00 O ATOM 1415 CB LEU B 41 20.215 -3.486 7.863 1.00 10.00 C ATOM 1416 CG LEU B 41 19.161 -2.820 8.753 1.00 10.00 C ATOM 1417 CD1 LEU B 41 17.764 -3.126 8.210 1.00 10.00 C ATOM 1418 CD2 LEU B 41 19.282 -3.365 10.177 1.00 10.00 C ATOM 0 H LEU B 41 21.517 -1.556 7.293 1.00 10.00 H new ATOM 0 HA LEU B 41 21.540 -3.272 9.582 1.00 10.00 H new ATOM 0 HB2 LEU B 41 20.201 -3.039 6.869 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.986 -4.544 7.740 1.00 10.00 H new ATOM 0 HG LEU B 41 19.320 -1.742 8.758 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.015 -2.652 8.844 1.00 10.00 H new ATOM 0 HD12 LEU B 41 17.676 -2.741 7.194 1.00 10.00 H new ATOM 0 HD13 LEU B 41 17.604 -4.204 8.204 1.00 10.00 H new ATOM 0 HD21 LEU B 41 18.533 -2.892 10.812 1.00 10.00 H new ATOM 0 HD22 LEU B 41 19.123 -4.443 10.169 1.00 10.00 H new ATOM 0 HD23 LEU B 41 20.277 -3.148 10.566 1.00 10.00 H new ATOM 1430 N ARG B 42 23.034 -4.516 6.950 1.00 10.00 N ATOM 1431 CA ARG B 42 23.927 -5.638 6.544 1.00 10.00 C ATOM 1432 C ARG B 42 25.262 -5.535 7.284 1.00 10.00 C ATOM 1433 O ARG B 42 25.930 -6.521 7.527 1.00 10.00 O ATOM 1434 CB ARG B 42 24.132 -5.459 5.040 1.00 10.00 C ATOM 1435 CG ARG B 42 23.056 -6.238 4.282 1.00 10.00 C ATOM 1436 CD ARG B 42 23.452 -7.714 4.199 1.00 10.00 C ATOM 1437 NE ARG B 42 24.848 -7.710 3.680 1.00 10.00 N ATOM 1438 CZ ARG B 42 25.707 -8.594 4.111 1.00 10.00 C ATOM 1439 NH1 ARG B 42 25.702 -8.947 5.367 1.00 10.00 N ATOM 1440 NH2 ARG B 42 26.570 -9.122 3.286 1.00 10.00 N ATOM 0 H ARG B 42 22.891 -3.797 6.240 1.00 10.00 H new ATOM 0 HA ARG B 42 23.503 -6.614 6.781 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.083 -4.402 4.779 1.00 10.00 H new ATOM 0 HB3 ARG B 42 25.122 -5.812 4.753 1.00 10.00 H new ATOM 0 HG2 ARG B 42 22.096 -6.137 4.788 1.00 10.00 H new ATOM 0 HG3 ARG B 42 22.934 -5.827 3.280 1.00 10.00 H new ATOM 0 HD2 ARG B 42 23.396 -8.193 5.176 1.00 10.00 H new ATOM 0 HD3 ARG B 42 22.786 -8.265 3.535 1.00 10.00 H new ATOM 0 HE ARG B 42 25.133 -7.017 2.988 1.00 10.00 H new ATOM 0 HH11 ARG B 42 25.028 -8.533 6.011 1.00 10.00 H new ATOM 0 HH12 ARG B 42 26.372 -9.637 5.705 1.00 10.00 H new ATOM 0 HH21 ARG B 42 26.573 -8.844 2.305 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.241 -9.812 3.623 1.00 10.00 H new ATOM 1454 N GLU B 43 25.653 -4.344 7.647 1.00 10.00 N ATOM 1455 CA GLU B 43 26.939 -4.166 8.374 1.00 10.00 C ATOM 1456 C GLU B 43 26.674 -4.054 9.880 1.00 10.00 C ATOM 1457 O GLU B 43 27.586 -3.944 10.673 1.00 10.00 O ATOM 1458 CB GLU B 43 27.522 -2.863 7.811 1.00 10.00 C ATOM 1459 CG GLU B 43 28.215 -2.067 8.920 1.00 10.00 C ATOM 1460 CD GLU B 43 29.532 -2.752 9.294 1.00 10.00 C ATOM 1461 OE1 GLU B 43 30.341 -2.960 8.406 1.00 10.00 O ATOM 1462 OE2 GLU B 43 29.709 -3.053 10.463 1.00 10.00 O ATOM 0 H GLU B 43 25.134 -3.484 7.470 1.00 10.00 H new ATOM 0 HA GLU B 43 27.624 -5.003 8.242 1.00 10.00 H new ATOM 0 HB2 GLU B 43 28.234 -3.089 7.017 1.00 10.00 H new ATOM 0 HB3 GLU B 43 26.728 -2.264 7.366 1.00 10.00 H new ATOM 0 HG2 GLU B 43 28.405 -1.047 8.586 1.00 10.00 H new ATOM 0 HG3 GLU B 43 27.567 -2.000 9.794 1.00 10.00 H new ATOM 1469 N ALA B 44 25.428 -4.083 10.275 1.00 10.00 N ATOM 1470 CA ALA B 44 25.096 -3.981 11.727 1.00 10.00 C ATOM 1471 C ALA B 44 26.122 -4.729 12.565 1.00 10.00 C ATOM 1472 O ALA B 44 26.852 -4.150 13.345 1.00 10.00 O ATOM 1473 CB ALA B 44 23.747 -4.674 11.882 1.00 10.00 C ATOM 0 H ALA B 44 24.624 -4.173 9.653 1.00 10.00 H new ATOM 0 HA ALA B 44 25.084 -2.942 12.055 1.00 10.00 H new ATOM 0 HB1 ALA B 44 23.438 -4.638 12.927 1.00 10.00 H new ATOM 0 HB2 ALA B 44 23.004 -4.167 11.266 1.00 10.00 H new ATOM 0 HB3 ALA B 44 23.833 -5.713 11.564 1.00 10.00 H new ATOM 1479 N ARG B 45 26.154 -6.024 12.415 1.00 10.00 N ATOM 1480 CA ARG B 45 27.100 -6.856 13.202 1.00 10.00 C ATOM 1481 C ARG B 45 28.341 -6.044 13.594 1.00 10.00 C ATOM 1482 O ARG B 45 29.007 -5.467 12.758 1.00 10.00 O ATOM 1483 CB ARG B 45 27.462 -8.017 12.265 1.00 10.00 C ATOM 1484 CG ARG B 45 28.957 -8.340 12.366 1.00 10.00 C ATOM 1485 CD ARG B 45 29.258 -8.964 13.730 1.00 10.00 C ATOM 1486 NE ARG B 45 28.870 -10.396 13.588 1.00 10.00 N ATOM 1487 CZ ARG B 45 29.779 -11.297 13.335 1.00 10.00 C ATOM 1488 NH1 ARG B 45 30.710 -11.548 14.213 1.00 10.00 N ATOM 1489 NH2 ARG B 45 29.755 -11.948 12.203 1.00 10.00 N ATOM 0 H ARG B 45 25.557 -6.545 11.773 1.00 10.00 H new ATOM 0 HA ARG B 45 26.668 -7.209 14.139 1.00 10.00 H new ATOM 0 HB2 ARG B 45 26.875 -8.898 12.524 1.00 10.00 H new ATOM 0 HB3 ARG B 45 27.209 -7.756 11.238 1.00 10.00 H new ATOM 0 HG2 ARG B 45 29.245 -9.026 11.570 1.00 10.00 H new ATOM 0 HG3 ARG B 45 29.545 -7.432 12.233 1.00 10.00 H new ATOM 0 HD2 ARG B 45 30.313 -8.864 13.987 1.00 10.00 H new ATOM 0 HD3 ARG B 45 28.689 -8.477 14.522 1.00 10.00 H new ATOM 0 HE ARG B 45 27.893 -10.672 13.689 1.00 10.00 H new ATOM 0 HH11 ARG B 45 30.727 -11.040 15.097 1.00 10.00 H new ATOM 0 HH12 ARG B 45 31.421 -12.252 14.015 1.00 10.00 H new ATOM 0 HH21 ARG B 45 29.026 -11.752 11.517 1.00 10.00 H new ATOM 0 HH22 ARG B 45 30.465 -12.653 12.005 1.00 10.00 H new ATOM 1503 N ARG B 46 28.652 -5.994 14.860 1.00 10.00 N ATOM 1504 CA ARG B 46 29.846 -5.218 15.304 1.00 10.00 C ATOM 1505 C ARG B 46 31.080 -5.648 14.507 1.00 10.00 C ATOM 1506 O ARG B 46 32.128 -5.060 14.713 1.00 10.00 O ATOM 1507 CB ARG B 46 30.013 -5.565 16.785 1.00 10.00 C ATOM 1508 CG ARG B 46 31.102 -4.682 17.397 1.00 10.00 C ATOM 1509 CD ARG B 46 30.456 -3.608 18.274 1.00 10.00 C ATOM 1510 NE ARG B 46 30.837 -3.968 19.668 1.00 10.00 N ATOM 1511 CZ ARG B 46 31.405 -3.081 20.439 1.00 10.00 C ATOM 1512 NH1 ARG B 46 30.812 -1.941 20.667 1.00 10.00 N ATOM 1513 NH2 ARG B 46 32.565 -3.336 20.981 1.00 10.00 N ATOM 1514 OXT ARG B 46 30.954 -6.558 13.703 1.00 10.00 O ATOM 0 H ARG B 46 28.132 -6.456 15.606 1.00 10.00 H new ATOM 0 HA ARG B 46 29.726 -4.146 15.148 1.00 10.00 H new ATOM 0 HB2 ARG B 46 29.071 -5.417 17.313 1.00 10.00 H new ATOM 0 HB3 ARG B 46 30.278 -6.617 16.895 1.00 10.00 H new ATOM 0 HG2 ARG B 46 31.786 -5.289 17.991 1.00 10.00 H new ATOM 0 HG3 ARG B 46 31.693 -4.216 16.608 1.00 10.00 H new ATOM 0 HD2 ARG B 46 30.817 -2.614 18.011 1.00 10.00 H new ATOM 0 HD3 ARG B 46 29.373 -3.597 18.151 1.00 10.00 H new ATOM 0 HE ARG B 46 30.654 -4.908 20.020 1.00 10.00 H new ATOM 0 HH11 ARG B 46 29.906 -1.744 20.243 1.00 10.00 H new ATOM 0 HH12 ARG B 46 31.255 -1.247 21.269 1.00 10.00 H new ATOM 0 HH21 ARG B 46 33.027 -4.228 20.802 1.00 10.00 H new ATOM 0 HH22 ARG B 46 33.010 -2.643 21.584 1.00 10.00 H new TER 1528 ARG B 46