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 Set 1.1: B 1 HIS : no HD1:sc= -0.265 K(o=-0.88,f=-3) USER MOD Set 1.2: B 4 HIS : no HE2:sc= -0.618 K(o=-0.88,f=-4.7) USER MOD Set 2.1: A 39 THR OG1 : rot -129:sc= -4.35! USER MOD Set 2.2: B 39 THR OG1 : rot 82:sc= -4.39! USER MOD Set 3.1: A 1 HIS : no HD1:sc= -0.366 K(o=-1.1,f=-3.4) USER MOD Set 3.2: A 4 HIS : no HE2:sc= -0.702 K(o=-1.1,f=-5.3) USER MOD Single : A 1 HIS N :NH3+ -128:sc= 0.0519 (180deg=-0.664) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -1.84! C(o=-1.8!,f=-2.2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.4) USER MOD Single : A 18 TYR OH : rot 109:sc= -4.61! USER MOD Single : A 19 THR OG1 : rot 155:sc= -2.65 USER MOD Single : A 25 GLN : amide:sc= -0.622 K(o=-0.62,f=-5.3!) USER MOD Single : A 26 GLN : amide:sc= -0.525! K(o=-0.53!,f=-1.2) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 HIS N :NH3+ -129:sc= 0.0424 (180deg=-0.74) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 6 GLN : amide:sc= -1.82! C(o=-1.8!,f=-2.2!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.6!) USER MOD Single : B 18 TYR OH : rot 110:sc= -4.3! USER MOD Single : B 19 THR OG1 : rot 154:sc= -2.71 USER MOD Single : B 25 GLN : amide:sc= -0.573 K(o=-0.57,f=-5.1!) USER MOD Single : B 26 GLN : amide:sc= -0.699! K(o=-0.7!,f=-1.2) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -10.392 14.572 -2.935 1.00 10.00 N ATOM 2 CA HIS A 1 -9.065 13.936 -3.180 1.00 10.00 C ATOM 3 C HIS A 1 -9.180 12.411 -3.084 1.00 10.00 C ATOM 4 O HIS A 1 -10.245 11.849 -3.245 1.00 10.00 O ATOM 5 CB HIS A 1 -8.158 14.480 -2.075 1.00 10.00 C ATOM 6 CG HIS A 1 -7.826 15.919 -2.361 1.00 10.00 C ATOM 7 ND1 HIS A 1 -6.608 16.303 -2.899 1.00 10.00 N ATOM 8 CD2 HIS A 1 -8.543 17.078 -2.189 1.00 10.00 C ATOM 9 CE1 HIS A 1 -6.627 17.643 -3.030 1.00 10.00 C ATOM 10 NE2 HIS A 1 -7.783 18.165 -2.612 1.00 10.00 N ATOM 0 H1 HIS A 1 -10.610 15.229 -3.711 1.00 10.00 H new ATOM 0 H2 HIS A 1 -11.126 13.837 -2.887 1.00 10.00 H new ATOM 0 H3 HIS A 1 -10.366 15.094 -2.036 1.00 10.00 H new ATOM 0 HA HIS A 1 -8.676 14.159 -4.174 1.00 10.00 H new ATOM 0 HB2 HIS A 1 -8.654 14.395 -1.108 1.00 10.00 H new ATOM 0 HB3 HIS A 1 -7.244 13.889 -2.017 1.00 10.00 H new ATOM 0 HD2 HIS A 1 -9.544 17.137 -1.787 1.00 10.00 H new ATOM 0 HE1 HIS A 1 -5.807 18.225 -3.425 1.00 10.00 H new ATOM 0 HE2 HIS A 1 -8.051 19.149 -2.604 1.00 10.00 H new ATOM 20 N MET A 2 -8.093 11.738 -2.827 1.00 10.00 N ATOM 21 CA MET A 2 -8.142 10.250 -2.727 1.00 10.00 C ATOM 22 C MET A 2 -7.103 9.754 -1.716 1.00 10.00 C ATOM 23 O MET A 2 -7.346 8.831 -0.964 1.00 10.00 O ATOM 24 CB MET A 2 -7.813 9.735 -4.133 1.00 10.00 C ATOM 25 CG MET A 2 -7.056 10.812 -4.919 1.00 10.00 C ATOM 26 SD MET A 2 -5.990 10.024 -6.151 1.00 10.00 S ATOM 27 CE MET A 2 -5.117 11.519 -6.682 1.00 10.00 C ATOM 0 H MET A 2 -7.172 12.153 -2.682 1.00 10.00 H new ATOM 0 HA MET A 2 -9.115 9.895 -2.386 1.00 10.00 H new ATOM 0 HB2 MET A 2 -7.210 8.830 -4.066 1.00 10.00 H new ATOM 0 HB3 MET A 2 -8.731 9.468 -4.656 1.00 10.00 H new ATOM 0 HG2 MET A 2 -7.762 11.483 -5.409 1.00 10.00 H new ATOM 0 HG3 MET A 2 -6.458 11.419 -4.240 1.00 10.00 H new ATOM 0 HE1 MET A 2 -4.394 11.262 -7.456 1.00 10.00 H new ATOM 0 HE2 MET A 2 -5.834 12.237 -7.079 1.00 10.00 H new ATOM 0 HE3 MET A 2 -4.597 11.958 -5.831 1.00 10.00 H new ATOM 37 N GLY A 3 -5.948 10.360 -1.691 1.00 10.00 N ATOM 38 CA GLY A 3 -4.895 9.924 -0.730 1.00 10.00 C ATOM 39 C GLY A 3 -3.980 11.106 -0.404 1.00 10.00 C ATOM 40 O GLY A 3 -3.243 11.581 -1.246 1.00 10.00 O ATOM 0 H GLY A 3 -5.687 11.139 -2.295 1.00 10.00 H new ATOM 0 HA2 GLY A 3 -5.355 9.544 0.182 1.00 10.00 H new ATOM 0 HA3 GLY A 3 -4.313 9.107 -1.157 1.00 10.00 H new ATOM 44 N HIS A 4 -4.019 11.584 0.809 1.00 10.00 N ATOM 45 CA HIS A 4 -3.150 12.737 1.182 1.00 10.00 C ATOM 46 C HIS A 4 -2.343 12.412 2.442 1.00 10.00 C ATOM 47 O HIS A 4 -1.302 12.989 2.689 1.00 10.00 O ATOM 48 CB HIS A 4 -4.116 13.892 1.448 1.00 10.00 C ATOM 49 CG HIS A 4 -3.962 14.934 0.376 1.00 10.00 C ATOM 50 ND1 HIS A 4 -2.726 15.279 -0.147 1.00 10.00 N ATOM 51 CD2 HIS A 4 -4.879 15.716 -0.283 1.00 10.00 C ATOM 52 CE1 HIS A 4 -2.929 16.230 -1.076 1.00 10.00 C ATOM 53 NE2 HIS A 4 -4.224 16.534 -1.200 1.00 10.00 N ATOM 0 H HIS A 4 -4.614 11.227 1.557 1.00 10.00 H new ATOM 0 HA HIS A 4 -2.430 12.978 0.400 1.00 10.00 H new ATOM 0 HB2 HIS A 4 -5.142 13.524 1.467 1.00 10.00 H new ATOM 0 HB3 HIS A 4 -3.916 14.329 2.426 1.00 10.00 H new ATOM 0 HD1 HIS A 4 -1.826 14.883 0.124 1.00 10.00 H new ATOM 0 HD2 HIS A 4 -5.946 15.699 -0.115 1.00 10.00 H new ATOM 0 HE1 HIS A 4 -2.141 16.692 -1.652 1.00 10.00 H new ATOM 61 N ILE A 5 -2.812 11.495 3.243 1.00 10.00 N ATOM 62 CA ILE A 5 -2.066 11.140 4.485 1.00 10.00 C ATOM 63 C ILE A 5 -1.583 9.689 4.420 1.00 10.00 C ATOM 64 O ILE A 5 -1.740 8.930 5.355 1.00 10.00 O ATOM 65 CB ILE A 5 -3.075 11.319 5.618 1.00 10.00 C ATOM 66 CG1 ILE A 5 -2.340 11.299 6.960 1.00 10.00 C ATOM 67 CG2 ILE A 5 -4.097 10.181 5.580 1.00 10.00 C ATOM 68 CD1 ILE A 5 -2.503 12.653 7.653 1.00 10.00 C ATOM 0 H ILE A 5 -3.678 10.977 3.092 1.00 10.00 H new ATOM 0 HA ILE A 5 -1.181 11.761 4.625 1.00 10.00 H new ATOM 0 HB ILE A 5 -3.590 12.272 5.498 1.00 10.00 H new ATOM 0 HG12 ILE A 5 -2.737 10.505 7.592 1.00 10.00 H new ATOM 0 HG13 ILE A 5 -1.283 11.083 6.804 1.00 10.00 H new ATOM 0 HG21 ILE A 5 -4.816 10.310 6.389 1.00 10.00 H new ATOM 0 HG22 ILE A 5 -4.620 10.194 4.624 1.00 10.00 H new ATOM 0 HG23 ILE A 5 -3.584 9.227 5.700 1.00 10.00 H new ATOM 0 HD11 ILE A 5 -1.979 12.638 8.609 1.00 10.00 H new ATOM 0 HD12 ILE A 5 -2.085 13.437 7.022 1.00 10.00 H new ATOM 0 HD13 ILE A 5 -3.562 12.850 7.822 1.00 10.00 H new ATOM 80 N GLN A 6 -0.992 9.298 3.324 1.00 10.00 N ATOM 81 CA GLN A 6 -0.495 7.897 3.200 1.00 10.00 C ATOM 82 C GLN A 6 0.969 7.900 2.753 1.00 10.00 C ATOM 83 O GLN A 6 1.687 8.859 2.961 1.00 10.00 O ATOM 84 CB GLN A 6 -1.388 7.250 2.141 1.00 10.00 C ATOM 85 CG GLN A 6 -1.585 8.218 0.973 1.00 10.00 C ATOM 86 CD GLN A 6 -2.220 7.474 -0.202 1.00 10.00 C ATOM 87 OE1 GLN A 6 -2.641 6.343 -0.064 1.00 10.00 O ATOM 88 NE2 GLN A 6 -2.308 8.065 -1.362 1.00 10.00 N ATOM 0 H GLN A 6 -0.831 9.888 2.508 1.00 10.00 H new ATOM 0 HA GLN A 6 -0.536 7.354 4.144 1.00 10.00 H new ATOM 0 HB2 GLN A 6 -0.936 6.324 1.786 1.00 10.00 H new ATOM 0 HB3 GLN A 6 -2.353 6.988 2.575 1.00 10.00 H new ATOM 0 HG2 GLN A 6 -2.221 9.049 1.278 1.00 10.00 H new ATOM 0 HG3 GLN A 6 -0.627 8.643 0.673 1.00 10.00 H new ATOM 0 HE21 GLN A 6 -1.955 9.015 -1.479 1.00 10.00 H new ATOM 0 HE22 GLN A 6 -2.730 7.577 -2.152 1.00 10.00 H new ATOM 97 N ILE A 7 1.423 6.838 2.144 1.00 10.00 N ATOM 98 CA ILE A 7 2.846 6.796 1.692 1.00 10.00 C ATOM 99 C ILE A 7 3.257 8.144 1.084 1.00 10.00 C ATOM 100 O ILE A 7 2.447 8.862 0.532 1.00 10.00 O ATOM 101 CB ILE A 7 2.924 5.676 0.645 1.00 10.00 C ATOM 102 CG1 ILE A 7 2.380 6.177 -0.694 1.00 10.00 C ATOM 103 CG2 ILE A 7 2.103 4.471 1.107 1.00 10.00 C ATOM 104 CD1 ILE A 7 1.036 6.865 -0.473 1.00 10.00 C ATOM 0 H ILE A 7 0.875 6.002 1.940 1.00 10.00 H new ATOM 0 HA ILE A 7 3.525 6.607 2.523 1.00 10.00 H new ATOM 0 HB ILE A 7 3.966 5.379 0.525 1.00 10.00 H new ATOM 0 HG12 ILE A 7 3.086 6.872 -1.148 1.00 10.00 H new ATOM 0 HG13 ILE A 7 2.264 5.343 -1.386 1.00 10.00 H new ATOM 0 HG21 ILE A 7 2.164 3.681 0.359 1.00 10.00 H new ATOM 0 HG22 ILE A 7 2.497 4.104 2.055 1.00 10.00 H new ATOM 0 HG23 ILE A 7 1.062 4.768 1.237 1.00 10.00 H new ATOM 0 HD11 ILE A 7 0.649 7.222 -1.427 1.00 10.00 H new ATOM 0 HD12 ILE A 7 0.332 6.156 -0.038 1.00 10.00 H new ATOM 0 HD13 ILE A 7 1.166 7.709 0.204 1.00 10.00 H new ATOM 116 N PRO A 8 4.515 8.436 1.220 1.00 10.00 N ATOM 117 CA PRO A 8 5.079 9.702 0.696 1.00 10.00 C ATOM 118 C PRO A 8 5.219 9.649 -0.828 1.00 10.00 C ATOM 119 O PRO A 8 5.308 8.584 -1.407 1.00 10.00 O ATOM 120 CB PRO A 8 6.444 9.789 1.361 1.00 10.00 C ATOM 121 CG PRO A 8 6.805 8.379 1.676 1.00 10.00 C ATOM 122 CD PRO A 8 5.522 7.613 1.875 1.00 10.00 C ATOM 0 HA PRO A 8 4.448 10.565 0.908 1.00 10.00 H new ATOM 0 HB2 PRO A 8 7.178 10.247 0.698 1.00 10.00 H new ATOM 0 HB3 PRO A 8 6.406 10.399 2.264 1.00 10.00 H new ATOM 0 HG2 PRO A 8 7.389 7.943 0.866 1.00 10.00 H new ATOM 0 HG3 PRO A 8 7.421 8.333 2.574 1.00 10.00 H new ATOM 0 HD2 PRO A 8 5.577 6.620 1.430 1.00 10.00 H new ATOM 0 HD3 PRO A 8 5.299 7.476 2.933 1.00 10.00 H new ATOM 130 N PRO A 9 5.239 10.810 -1.424 1.00 10.00 N ATOM 131 CA PRO A 9 5.377 10.909 -2.897 1.00 10.00 C ATOM 132 C PRO A 9 6.816 10.601 -3.322 1.00 10.00 C ATOM 133 O PRO A 9 7.761 10.950 -2.644 1.00 10.00 O ATOM 134 CB PRO A 9 5.027 12.365 -3.191 1.00 10.00 C ATOM 135 CG PRO A 9 5.324 13.100 -1.922 1.00 10.00 C ATOM 136 CD PRO A 9 5.135 12.127 -0.788 1.00 10.00 C ATOM 0 HA PRO A 9 4.743 10.204 -3.435 1.00 10.00 H new ATOM 0 HB2 PRO A 9 5.619 12.753 -4.020 1.00 10.00 H new ATOM 0 HB3 PRO A 9 3.979 12.470 -3.472 1.00 10.00 H new ATOM 0 HG2 PRO A 9 6.343 13.487 -1.931 1.00 10.00 H new ATOM 0 HG3 PRO A 9 4.659 13.956 -1.809 1.00 10.00 H new ATOM 0 HD2 PRO A 9 5.896 12.259 -0.019 1.00 10.00 H new ATOM 0 HD3 PRO A 9 4.167 12.261 -0.305 1.00 10.00 H new ATOM 144 N GLY A 10 6.989 9.948 -4.439 1.00 10.00 N ATOM 145 CA GLY A 10 8.367 9.619 -4.903 1.00 10.00 C ATOM 146 C GLY A 10 8.812 8.294 -4.282 1.00 10.00 C ATOM 147 O GLY A 10 9.605 7.567 -4.848 1.00 10.00 O ATOM 0 H GLY A 10 6.237 9.629 -5.050 1.00 10.00 H new ATOM 0 HA2 GLY A 10 8.389 9.549 -5.991 1.00 10.00 H new ATOM 0 HA3 GLY A 10 9.057 10.415 -4.621 1.00 10.00 H new ATOM 151 N LEU A 11 8.308 7.974 -3.121 1.00 10.00 N ATOM 152 CA LEU A 11 8.701 6.695 -2.462 1.00 10.00 C ATOM 153 C LEU A 11 8.006 5.516 -3.149 1.00 10.00 C ATOM 154 O LEU A 11 8.591 4.470 -3.348 1.00 10.00 O ATOM 155 CB LEU A 11 8.225 6.836 -1.014 1.00 10.00 C ATOM 156 CG LEU A 11 8.713 5.647 -0.177 1.00 10.00 C ATOM 157 CD1 LEU A 11 7.714 4.495 -0.290 1.00 10.00 C ATOM 158 CD2 LEU A 11 10.084 5.183 -0.679 1.00 10.00 C ATOM 0 H LEU A 11 7.641 8.543 -2.600 1.00 10.00 H new ATOM 0 HA LEU A 11 9.773 6.508 -2.520 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.600 7.767 -0.589 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.137 6.888 -0.985 1.00 10.00 H new ATOM 0 HG LEU A 11 8.797 5.956 0.865 1.00 10.00 H new ATOM 0 HD11 LEU A 11 8.063 3.651 0.305 1.00 10.00 H new ATOM 0 HD12 LEU A 11 6.740 4.820 0.077 1.00 10.00 H new ATOM 0 HD13 LEU A 11 7.626 4.191 -1.333 1.00 10.00 H new ATOM 0 HD21 LEU A 11 10.424 4.338 -0.080 1.00 10.00 H new ATOM 0 HD22 LEU A 11 10.006 4.879 -1.723 1.00 10.00 H new ATOM 0 HD23 LEU A 11 10.799 6.001 -0.592 1.00 10.00 H new ATOM 170 N THR A 12 6.762 5.677 -3.511 1.00 10.00 N ATOM 171 CA THR A 12 6.025 4.566 -4.183 1.00 10.00 C ATOM 172 C THR A 12 6.792 4.079 -5.415 1.00 10.00 C ATOM 173 O THR A 12 7.439 3.051 -5.388 1.00 10.00 O ATOM 174 CB THR A 12 4.683 5.176 -4.594 1.00 10.00 C ATOM 175 OG1 THR A 12 3.820 5.229 -3.465 1.00 10.00 O ATOM 176 CG2 THR A 12 4.041 4.319 -5.687 1.00 10.00 C ATOM 0 H THR A 12 6.222 6.531 -3.371 1.00 10.00 H new ATOM 0 HA THR A 12 5.902 3.702 -3.530 1.00 10.00 H new ATOM 0 HB THR A 12 4.847 6.184 -4.975 1.00 10.00 H new ATOM 0 HG1 THR A 12 2.961 5.621 -3.728 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.086 4.756 -5.978 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.701 4.280 -6.554 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.879 3.309 -5.309 1.00 10.00 H new ATOM 184 N GLU A 13 6.711 4.807 -6.494 1.00 10.00 N ATOM 185 CA GLU A 13 7.423 4.394 -7.741 1.00 10.00 C ATOM 186 C GLU A 13 8.749 3.706 -7.403 1.00 10.00 C ATOM 187 O GLU A 13 9.001 2.590 -7.811 1.00 10.00 O ATOM 188 CB GLU A 13 7.675 5.697 -8.500 1.00 10.00 C ATOM 189 CG GLU A 13 6.540 5.937 -9.499 1.00 10.00 C ATOM 190 CD GLU A 13 6.797 5.122 -10.769 1.00 10.00 C ATOM 191 OE1 GLU A 13 6.919 3.913 -10.660 1.00 10.00 O ATOM 192 OE2 GLU A 13 6.865 5.722 -11.829 1.00 10.00 O ATOM 0 H GLU A 13 6.180 5.675 -6.568 1.00 10.00 H new ATOM 0 HA GLU A 13 6.842 3.682 -8.327 1.00 10.00 H new ATOM 0 HB2 GLU A 13 7.740 6.530 -7.801 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.629 5.646 -9.024 1.00 10.00 H new ATOM 0 HG2 GLU A 13 5.586 5.650 -9.057 1.00 10.00 H new ATOM 0 HG3 GLU A 13 6.473 6.997 -9.742 1.00 10.00 H new ATOM 199 N LEU A 14 9.599 4.362 -6.663 1.00 10.00 N ATOM 200 CA LEU A 14 10.907 3.742 -6.302 1.00 10.00 C ATOM 201 C LEU A 14 10.679 2.428 -5.550 1.00 10.00 C ATOM 202 O LEU A 14 11.410 1.470 -5.717 1.00 10.00 O ATOM 203 CB LEU A 14 11.599 4.763 -5.400 1.00 10.00 C ATOM 204 CG LEU A 14 12.819 4.118 -4.741 1.00 10.00 C ATOM 205 CD1 LEU A 14 14.037 5.027 -4.916 1.00 10.00 C ATOM 206 CD2 LEU A 14 12.545 3.919 -3.249 1.00 10.00 C ATOM 0 H LEU A 14 9.446 5.300 -6.292 1.00 10.00 H new ATOM 0 HA LEU A 14 11.507 3.506 -7.181 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.904 5.632 -5.984 1.00 10.00 H new ATOM 0 HB3 LEU A 14 10.906 5.119 -4.637 1.00 10.00 H new ATOM 0 HG LEU A 14 13.016 3.153 -5.209 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.906 4.566 -4.446 1.00 10.00 H new ATOM 0 HD12 LEU A 14 14.233 5.172 -5.978 1.00 10.00 H new ATOM 0 HD13 LEU A 14 13.841 5.992 -4.449 1.00 10.00 H new ATOM 0 HD21 LEU A 14 13.414 3.459 -2.778 1.00 10.00 H new ATOM 0 HD22 LEU A 14 12.348 4.885 -2.783 1.00 10.00 H new ATOM 0 HD23 LEU A 14 11.678 3.271 -3.122 1.00 10.00 H new ATOM 218 N LEU A 15 9.670 2.372 -4.724 1.00 10.00 N ATOM 219 CA LEU A 15 9.397 1.118 -3.964 1.00 10.00 C ATOM 220 C LEU A 15 8.904 0.021 -4.910 1.00 10.00 C ATOM 221 O LEU A 15 9.601 -0.937 -5.180 1.00 10.00 O ATOM 222 CB LEU A 15 8.303 1.489 -2.963 1.00 10.00 C ATOM 223 CG LEU A 15 8.618 0.858 -1.606 1.00 10.00 C ATOM 224 CD1 LEU A 15 8.555 -0.666 -1.725 1.00 10.00 C ATOM 225 CD2 LEU A 15 10.021 1.276 -1.163 1.00 10.00 C ATOM 0 H LEU A 15 9.023 3.139 -4.542 1.00 10.00 H new ATOM 0 HA LEU A 15 10.290 0.735 -3.470 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.237 2.573 -2.866 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.334 1.141 -3.322 1.00 10.00 H new ATOM 0 HG LEU A 15 7.888 1.196 -0.870 1.00 10.00 H new ATOM 0 HD11 LEU A 15 8.779 -1.116 -0.758 1.00 10.00 H new ATOM 0 HD12 LEU A 15 7.556 -0.965 -2.041 1.00 10.00 H new ATOM 0 HD13 LEU A 15 9.285 -1.004 -2.461 1.00 10.00 H new ATOM 0 HD21 LEU A 15 10.246 0.827 -0.196 1.00 10.00 H new ATOM 0 HD22 LEU A 15 10.751 0.938 -1.899 1.00 10.00 H new ATOM 0 HD23 LEU A 15 10.067 2.362 -1.078 1.00 10.00 H new ATOM 237 N GLN A 16 7.706 0.153 -5.412 1.00 10.00 N ATOM 238 CA GLN A 16 7.168 -0.884 -6.339 1.00 10.00 C ATOM 239 C GLN A 16 8.260 -1.341 -7.310 1.00 10.00 C ATOM 240 O GLN A 16 8.303 -2.486 -7.714 1.00 10.00 O ATOM 241 CB GLN A 16 6.030 -0.193 -7.092 1.00 10.00 C ATOM 242 CG GLN A 16 4.688 -0.596 -6.476 1.00 10.00 C ATOM 243 CD GLN A 16 3.681 -0.888 -7.590 1.00 10.00 C ATOM 244 OE1 GLN A 16 3.817 -0.393 -8.692 1.00 10.00 O ATOM 245 NE2 GLN A 16 2.669 -1.675 -7.349 1.00 10.00 N ATOM 0 H GLN A 16 7.077 0.933 -5.221 1.00 10.00 H new ATOM 0 HA GLN A 16 6.823 -1.772 -5.810 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.153 0.889 -7.044 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.056 -0.471 -8.146 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.815 -1.477 -5.846 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.316 0.203 -5.835 1.00 10.00 H new ATOM 0 HE21 GLN A 16 2.555 -2.090 -6.424 1.00 10.00 H new ATOM 0 HE22 GLN A 16 1.992 -1.875 -8.085 1.00 10.00 H new ATOM 254 N GLY A 17 9.147 -0.458 -7.680 1.00 10.00 N ATOM 255 CA GLY A 17 10.238 -0.848 -8.617 1.00 10.00 C ATOM 256 C GLY A 17 11.145 -1.872 -7.934 1.00 10.00 C ATOM 257 O GLY A 17 11.384 -2.948 -8.448 1.00 10.00 O ATOM 0 H GLY A 17 9.163 0.515 -7.374 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.817 -1.269 -9.530 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.815 0.030 -8.908 1.00 10.00 H new ATOM 261 N TYR A 18 11.639 -1.552 -6.769 1.00 10.00 N ATOM 262 CA TYR A 18 12.516 -2.505 -6.044 1.00 10.00 C ATOM 263 C TYR A 18 11.684 -3.702 -5.572 1.00 10.00 C ATOM 264 O TYR A 18 12.151 -4.825 -5.546 1.00 10.00 O ATOM 265 CB TYR A 18 13.050 -1.696 -4.868 1.00 10.00 C ATOM 266 CG TYR A 18 12.960 -2.522 -3.622 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.703 -3.698 -3.520 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.132 -2.116 -2.578 1.00 10.00 C ATOM 269 CE1 TYR A 18 13.620 -4.477 -2.359 1.00 10.00 C ATOM 270 CE2 TYR A 18 12.043 -2.890 -1.415 1.00 10.00 C ATOM 271 CZ TYR A 18 12.789 -4.072 -1.304 1.00 10.00 C ATOM 272 OH TYR A 18 12.700 -4.837 -0.159 1.00 10.00 O ATOM 0 H TYR A 18 11.470 -0.668 -6.289 1.00 10.00 H new ATOM 0 HA TYR A 18 13.324 -2.909 -6.654 1.00 10.00 H new ATOM 0 HB2 TYR A 18 14.084 -1.404 -5.051 1.00 10.00 H new ATOM 0 HB3 TYR A 18 12.475 -0.777 -4.752 1.00 10.00 H new ATOM 0 HD1 TYR A 18 14.341 -4.007 -4.335 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.559 -1.205 -2.666 1.00 10.00 H new ATOM 0 HE1 TYR A 18 14.195 -5.388 -2.276 1.00 10.00 H new ATOM 0 HE2 TYR A 18 11.401 -2.577 -0.605 1.00 10.00 H new ATOM 0 HH TYR A 18 13.148 -4.374 0.579 1.00 10.00 H new ATOM 282 N THR A 19 10.452 -3.470 -5.206 1.00 10.00 N ATOM 283 CA THR A 19 9.585 -4.592 -4.745 1.00 10.00 C ATOM 284 C THR A 19 9.347 -5.567 -5.900 1.00 10.00 C ATOM 285 O THR A 19 9.350 -6.769 -5.724 1.00 10.00 O ATOM 286 CB THR A 19 8.273 -3.931 -4.319 1.00 10.00 C ATOM 287 OG1 THR A 19 8.550 -2.658 -3.753 1.00 10.00 O ATOM 288 CG2 THR A 19 7.566 -4.811 -3.286 1.00 10.00 C ATOM 0 H THR A 19 10.009 -2.551 -5.206 1.00 10.00 H new ATOM 0 HA THR A 19 10.033 -5.160 -3.930 1.00 10.00 H new ATOM 0 HB THR A 19 7.627 -3.810 -5.189 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.764 -2.080 -3.847 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.632 -4.338 -2.984 1.00 10.00 H new ATOM 0 HG22 THR A 19 7.354 -5.787 -3.723 1.00 10.00 H new ATOM 0 HG23 THR A 19 8.208 -4.936 -2.414 1.00 10.00 H new ATOM 296 N VAL A 20 9.148 -5.055 -7.085 1.00 10.00 N ATOM 297 CA VAL A 20 8.919 -5.949 -8.253 1.00 10.00 C ATOM 298 C VAL A 20 10.170 -6.791 -8.511 1.00 10.00 C ATOM 299 O VAL A 20 10.096 -7.901 -8.999 1.00 10.00 O ATOM 300 CB VAL A 20 8.649 -5.009 -9.427 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.607 -5.813 -10.729 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.303 -4.310 -9.220 1.00 10.00 C ATOM 0 H VAL A 20 9.134 -4.057 -7.293 1.00 10.00 H new ATOM 0 HA VAL A 20 8.092 -6.641 -8.095 1.00 10.00 H new ATOM 0 HB VAL A 20 9.443 -4.265 -9.485 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.414 -5.141 -11.565 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.564 -6.314 -10.879 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.813 -6.558 -10.671 1.00 10.00 H new ATOM 0 HG21 VAL A 20 7.109 -3.639 -10.057 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.511 -5.056 -9.162 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.330 -3.736 -8.294 1.00 10.00 H new ATOM 312 N GLU A 21 11.322 -6.274 -8.174 1.00 10.00 N ATOM 313 CA GLU A 21 12.576 -7.057 -8.391 1.00 10.00 C ATOM 314 C GLU A 21 12.623 -8.208 -7.391 1.00 10.00 C ATOM 315 O GLU A 21 13.114 -9.282 -7.677 1.00 10.00 O ATOM 316 CB GLU A 21 13.746 -6.100 -8.130 1.00 10.00 C ATOM 317 CG GLU A 21 13.315 -4.656 -8.351 1.00 10.00 C ATOM 318 CD GLU A 21 14.516 -3.825 -8.801 1.00 10.00 C ATOM 319 OE1 GLU A 21 15.345 -3.513 -7.961 1.00 10.00 O ATOM 320 OE2 GLU A 21 14.590 -3.515 -9.979 1.00 10.00 O ATOM 0 H GLU A 21 11.450 -5.350 -7.761 1.00 10.00 H new ATOM 0 HA GLU A 21 12.623 -7.466 -9.400 1.00 10.00 H new ATOM 0 HB2 GLU A 21 14.105 -6.226 -7.109 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.577 -6.343 -8.792 1.00 10.00 H new ATOM 0 HG2 GLU A 21 12.527 -4.612 -9.103 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.900 -4.245 -7.431 1.00 10.00 H new ATOM 327 N VAL A 22 12.113 -7.980 -6.214 1.00 10.00 N ATOM 328 CA VAL A 22 12.119 -9.045 -5.175 1.00 10.00 C ATOM 329 C VAL A 22 11.088 -10.117 -5.526 1.00 10.00 C ATOM 330 O VAL A 22 11.406 -11.282 -5.643 1.00 10.00 O ATOM 331 CB VAL A 22 11.743 -8.338 -3.870 1.00 10.00 C ATOM 332 CG1 VAL A 22 12.334 -9.109 -2.694 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.307 -6.914 -3.867 1.00 10.00 C ATOM 0 H VAL A 22 11.690 -7.098 -5.926 1.00 10.00 H new ATOM 0 HA VAL A 22 13.085 -9.543 -5.096 1.00 10.00 H new ATOM 0 HB VAL A 22 10.657 -8.297 -3.784 1.00 10.00 H new ATOM 0 HG11 VAL A 22 12.069 -8.610 -1.762 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.937 -10.124 -2.688 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.419 -9.145 -2.791 1.00 10.00 H new ATOM 0 HG21 VAL A 22 12.036 -6.417 -2.936 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.393 -6.953 -3.955 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.895 -6.358 -4.709 1.00 10.00 H new ATOM 343 N LEU A 23A 9.854 -9.734 -5.705 1.00 10.00 N ATOM 344 CA LEU A 23A 8.813 -10.738 -6.060 1.00 10.00 C ATOM 345 C LEU A 23A 9.235 -11.492 -7.323 1.00 10.00 C ATOM 346 O LEU A 23A 8.745 -12.565 -7.614 1.00 10.00 O ATOM 347 CB LEU A 23A 7.547 -9.921 -6.318 1.00 10.00 C ATOM 348 CG LEU A 23A 6.367 -10.568 -5.592 1.00 10.00 C ATOM 349 CD1 LEU A 23A 5.169 -9.617 -5.617 1.00 10.00 C ATOM 350 CD2 LEU A 23A 5.994 -11.875 -6.294 1.00 10.00 C ATOM 0 H LEU A 23A 9.523 -8.773 -5.621 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.661 -11.480 -5.276 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.685 -8.897 -5.970 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.346 -9.870 -7.388 1.00 10.00 H new ATOM 0 HG LEU A 23A 6.645 -10.775 -4.559 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 4.328 -10.078 -5.100 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 5.434 -8.684 -5.119 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 4.890 -9.410 -6.650 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 5.153 -12.338 -5.778 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 5.716 -11.667 -7.327 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 6.847 -12.553 -6.278 1.00 10.00 H new ATOM 362 N ARG A 24 10.146 -10.934 -8.073 1.00 10.00 N ATOM 363 CA ARG A 24 10.609 -11.609 -9.319 1.00 10.00 C ATOM 364 C ARG A 24 11.794 -12.530 -9.011 1.00 10.00 C ATOM 365 O ARG A 24 11.818 -13.679 -9.408 1.00 10.00 O ATOM 366 CB ARG A 24 11.039 -10.468 -10.245 1.00 10.00 C ATOM 367 CG ARG A 24 11.957 -11.012 -11.341 1.00 10.00 C ATOM 368 CD ARG A 24 11.408 -10.615 -12.713 1.00 10.00 C ATOM 369 NE ARG A 24 12.613 -10.421 -13.568 1.00 10.00 N ATOM 370 CZ ARG A 24 12.910 -11.298 -14.487 1.00 10.00 C ATOM 371 NH1 ARG A 24 13.487 -12.421 -14.156 1.00 10.00 N ATOM 372 NH2 ARG A 24 12.632 -11.053 -15.738 1.00 10.00 N ATOM 0 H ARG A 24 10.591 -10.037 -7.876 1.00 10.00 H new ATOM 0 HA ARG A 24 9.835 -12.230 -9.769 1.00 10.00 H new ATOM 0 HB2 ARG A 24 10.162 -9.999 -10.691 1.00 10.00 H new ATOM 0 HB3 ARG A 24 11.556 -9.698 -9.673 1.00 10.00 H new ATOM 0 HG2 ARG A 24 12.965 -10.618 -11.214 1.00 10.00 H new ATOM 0 HG3 ARG A 24 12.027 -12.097 -11.266 1.00 10.00 H new ATOM 0 HD2 ARG A 24 10.758 -11.390 -13.117 1.00 10.00 H new ATOM 0 HD3 ARG A 24 10.816 -9.702 -12.652 1.00 10.00 H new ATOM 0 HE ARG A 24 13.206 -9.602 -13.435 1.00 10.00 H new ATOM 0 HH11 ARG A 24 13.706 -12.613 -13.178 1.00 10.00 H new ATOM 0 HH12 ARG A 24 13.719 -13.106 -14.875 1.00 10.00 H new ATOM 0 HH21 ARG A 24 12.182 -10.175 -15.998 1.00 10.00 H new ATOM 0 HH22 ARG A 24 12.865 -11.739 -16.456 1.00 10.00 H new ATOM 386 N GLN A 25 12.779 -12.034 -8.312 1.00 10.00 N ATOM 387 CA GLN A 25 13.962 -12.878 -7.986 1.00 10.00 C ATOM 388 C GLN A 25 13.742 -13.621 -6.665 1.00 10.00 C ATOM 389 O GLN A 25 14.371 -14.624 -6.395 1.00 10.00 O ATOM 390 CB GLN A 25 15.124 -11.894 -7.856 1.00 10.00 C ATOM 391 CG GLN A 25 15.163 -10.980 -9.083 1.00 10.00 C ATOM 392 CD GLN A 25 15.791 -11.730 -10.260 1.00 10.00 C ATOM 393 OE1 GLN A 25 15.639 -12.929 -10.381 1.00 10.00 O ATOM 394 NE2 GLN A 25 16.496 -11.069 -11.137 1.00 10.00 N ATOM 0 H GLN A 25 12.815 -11.080 -7.953 1.00 10.00 H new ATOM 0 HA GLN A 25 14.148 -13.636 -8.747 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.010 -11.299 -6.950 1.00 10.00 H new ATOM 0 HB3 GLN A 25 16.065 -12.437 -7.764 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.154 -10.657 -9.341 1.00 10.00 H new ATOM 0 HG3 GLN A 25 15.739 -10.081 -8.862 1.00 10.00 H new ATOM 0 HE21 GLN A 25 16.623 -10.062 -11.035 1.00 10.00 H new ATOM 0 HE22 GLN A 25 16.920 -11.559 -11.925 1.00 10.00 H new ATOM 403 N GLN A 26 12.855 -13.138 -5.839 1.00 10.00 N ATOM 404 CA GLN A 26 12.600 -13.816 -4.536 1.00 10.00 C ATOM 405 C GLN A 26 13.924 -14.222 -3.887 1.00 10.00 C ATOM 406 O GLN A 26 14.199 -15.393 -3.710 1.00 10.00 O ATOM 407 CB GLN A 26 11.769 -15.051 -4.888 1.00 10.00 C ATOM 408 CG GLN A 26 10.302 -14.795 -4.540 1.00 10.00 C ATOM 409 CD GLN A 26 9.405 -15.421 -5.610 1.00 10.00 C ATOM 410 OE1 GLN A 26 8.840 -16.477 -5.404 1.00 10.00 O ATOM 411 NE2 GLN A 26 9.251 -14.810 -6.753 1.00 10.00 N ATOM 0 H GLN A 26 12.295 -12.303 -6.010 1.00 10.00 H new ATOM 0 HA GLN A 26 12.084 -13.170 -3.826 1.00 10.00 H new ATOM 0 HB2 GLN A 26 11.868 -15.278 -5.949 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.138 -15.919 -4.341 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.070 -15.219 -3.563 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.115 -13.723 -4.475 1.00 10.00 H new ATOM 0 HE21 GLN A 26 9.725 -13.924 -6.925 1.00 10.00 H new ATOM 0 HE22 GLN A 26 8.656 -15.219 -7.474 1.00 10.00 H new ATOM 420 N PRO A 27 14.703 -13.230 -3.555 1.00 10.00 N ATOM 421 CA PRO A 27 16.021 -13.469 -2.919 1.00 10.00 C ATOM 422 C PRO A 27 15.846 -13.993 -1.491 1.00 10.00 C ATOM 423 O PRO A 27 14.872 -13.689 -0.832 1.00 10.00 O ATOM 424 CB PRO A 27 16.670 -12.088 -2.910 1.00 10.00 C ATOM 425 CG PRO A 27 15.524 -11.131 -2.950 1.00 10.00 C ATOM 426 CD PRO A 27 14.434 -11.803 -3.739 1.00 10.00 C ATOM 0 HA PRO A 27 16.617 -14.215 -3.444 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.277 -11.942 -2.017 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.328 -11.954 -3.768 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.183 -10.892 -1.943 1.00 10.00 H new ATOM 0 HG3 PRO A 27 15.819 -10.192 -3.418 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.446 -11.531 -3.369 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.469 -11.521 -4.791 1.00 10.00 H new ATOM 434 N PRO A 28 16.807 -14.763 -1.060 1.00 10.00 N ATOM 435 CA PRO A 28 16.773 -15.336 0.306 1.00 10.00 C ATOM 436 C PRO A 28 16.981 -14.233 1.348 1.00 10.00 C ATOM 437 O PRO A 28 16.587 -14.359 2.490 1.00 10.00 O ATOM 438 CB PRO A 28 17.938 -16.323 0.314 1.00 10.00 C ATOM 439 CG PRO A 28 18.866 -15.819 -0.743 1.00 10.00 C ATOM 440 CD PRO A 28 18.006 -15.172 -1.796 1.00 10.00 C ATOM 0 HA PRO A 28 15.823 -15.811 0.550 1.00 10.00 H new ATOM 0 HB2 PRO A 28 18.426 -16.353 1.288 1.00 10.00 H new ATOM 0 HB3 PRO A 28 17.601 -17.336 0.095 1.00 10.00 H new ATOM 0 HG2 PRO A 28 19.575 -15.103 -0.327 1.00 10.00 H new ATOM 0 HG3 PRO A 28 19.450 -16.636 -1.167 1.00 10.00 H new ATOM 0 HD2 PRO A 28 18.506 -14.318 -2.253 1.00 10.00 H new ATOM 0 HD3 PRO A 28 17.765 -15.868 -2.600 1.00 10.00 H new ATOM 448 N ASP A 29 17.597 -13.150 0.957 1.00 10.00 N ATOM 449 CA ASP A 29 17.830 -12.034 1.917 1.00 10.00 C ATOM 450 C ASP A 29 17.465 -10.696 1.266 1.00 10.00 C ATOM 451 O ASP A 29 17.957 -10.354 0.210 1.00 10.00 O ATOM 452 CB ASP A 29 19.326 -12.087 2.231 1.00 10.00 C ATOM 453 CG ASP A 29 19.586 -13.161 3.288 1.00 10.00 C ATOM 454 OD1 ASP A 29 18.845 -13.204 4.256 1.00 10.00 O ATOM 455 OD2 ASP A 29 20.524 -13.923 3.113 1.00 10.00 O ATOM 0 H ASP A 29 17.949 -12.990 0.013 1.00 10.00 H new ATOM 0 HA ASP A 29 17.222 -12.128 2.817 1.00 10.00 H new ATOM 0 HB2 ASP A 29 19.891 -12.308 1.326 1.00 10.00 H new ATOM 0 HB3 ASP A 29 19.668 -11.117 2.591 1.00 10.00 H new ATOM 460 N LEU A 30 16.601 -9.939 1.887 1.00 10.00 N ATOM 461 CA LEU A 30 16.201 -8.627 1.302 1.00 10.00 C ATOM 462 C LEU A 30 17.257 -7.560 1.611 1.00 10.00 C ATOM 463 O LEU A 30 17.912 -7.055 0.723 1.00 10.00 O ATOM 464 CB LEU A 30 14.875 -8.282 1.983 1.00 10.00 C ATOM 465 CG LEU A 30 14.106 -7.260 1.140 1.00 10.00 C ATOM 466 CD1 LEU A 30 15.080 -6.242 0.544 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.372 -7.982 0.010 1.00 10.00 C ATOM 0 H LEU A 30 16.155 -10.172 2.774 1.00 10.00 H new ATOM 0 HA LEU A 30 16.106 -8.671 0.217 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.277 -9.184 2.112 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.062 -7.879 2.978 1.00 10.00 H new ATOM 0 HG LEU A 30 13.386 -6.742 1.773 1.00 10.00 H new ATOM 0 HD11 LEU A 30 14.528 -5.517 -0.055 1.00 10.00 H new ATOM 0 HD12 LEU A 30 15.603 -5.725 1.348 1.00 10.00 H new ATOM 0 HD13 LEU A 30 15.804 -6.757 -0.087 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.824 -7.256 -0.591 1.00 10.00 H new ATOM 0 HD22 LEU A 30 14.094 -8.502 -0.619 1.00 10.00 H new ATOM 0 HD23 LEU A 30 12.673 -8.704 0.433 1.00 10.00 H new ATOM 479 N VAL A 31 17.416 -7.212 2.862 1.00 10.00 N ATOM 480 CA VAL A 31 18.425 -6.174 3.243 1.00 10.00 C ATOM 481 C VAL A 31 19.493 -6.040 2.159 1.00 10.00 C ATOM 482 O VAL A 31 19.721 -4.975 1.617 1.00 10.00 O ATOM 483 CB VAL A 31 19.061 -6.695 4.529 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.862 -5.573 5.191 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.966 -7.171 5.483 1.00 10.00 C ATOM 0 H VAL A 31 16.888 -7.604 3.642 1.00 10.00 H new ATOM 0 HA VAL A 31 17.967 -5.193 3.369 1.00 10.00 H new ATOM 0 HB VAL A 31 19.725 -7.527 4.295 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.317 -5.944 6.110 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.643 -5.233 4.511 1.00 10.00 H new ATOM 0 HG13 VAL A 31 19.198 -4.741 5.425 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.420 -7.543 6.401 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.301 -6.340 5.718 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.395 -7.970 5.011 1.00 10.00 H new ATOM 495 N ASP A 32 20.147 -7.118 1.844 1.00 10.00 N ATOM 496 CA ASP A 32 21.204 -7.077 0.799 1.00 10.00 C ATOM 497 C ASP A 32 20.586 -6.780 -0.568 1.00 10.00 C ATOM 498 O ASP A 32 21.023 -5.891 -1.274 1.00 10.00 O ATOM 499 CB ASP A 32 21.819 -8.474 0.832 1.00 10.00 C ATOM 500 CG ASP A 32 23.316 -8.382 0.531 1.00 10.00 C ATOM 501 OD1 ASP A 32 23.698 -7.493 -0.212 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.054 -9.205 1.046 1.00 10.00 O ATOM 0 H ASP A 32 19.995 -8.033 2.268 1.00 10.00 H new ATOM 0 HA ASP A 32 21.945 -6.298 0.975 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.662 -8.929 1.810 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.329 -9.116 0.100 1.00 10.00 H new ATOM 507 N PHE A 33 19.571 -7.505 -0.950 1.00 10.00 N ATOM 508 CA PHE A 33 18.935 -7.242 -2.271 1.00 10.00 C ATOM 509 C PHE A 33 18.435 -5.797 -2.326 1.00 10.00 C ATOM 510 O PHE A 33 18.742 -5.057 -3.240 1.00 10.00 O ATOM 511 CB PHE A 33 17.762 -8.216 -2.365 1.00 10.00 C ATOM 512 CG PHE A 33 17.062 -8.014 -3.687 1.00 10.00 C ATOM 513 CD1 PHE A 33 16.236 -6.899 -3.876 1.00 10.00 C ATOM 514 CD2 PHE A 33 17.244 -8.935 -4.726 1.00 10.00 C ATOM 515 CE1 PHE A 33 15.591 -6.704 -5.103 1.00 10.00 C ATOM 516 CE2 PHE A 33 16.600 -8.740 -5.954 1.00 10.00 C ATOM 517 CZ PHE A 33 15.774 -7.626 -6.142 1.00 10.00 C ATOM 0 H PHE A 33 19.157 -8.264 -0.408 1.00 10.00 H new ATOM 0 HA PHE A 33 19.633 -7.378 -3.097 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.117 -9.243 -2.280 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.067 -8.050 -1.542 1.00 10.00 H new ATOM 0 HD1 PHE A 33 16.096 -6.189 -3.074 1.00 10.00 H new ATOM 0 HD2 PHE A 33 17.881 -9.795 -4.580 1.00 10.00 H new ATOM 0 HE1 PHE A 33 14.953 -5.844 -5.248 1.00 10.00 H new ATOM 0 HE2 PHE A 33 16.741 -9.449 -6.756 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.277 -7.477 -7.089 1.00 10.00 H new ATOM 527 N ALA A 34 17.673 -5.389 -1.349 1.00 10.00 N ATOM 528 CA ALA A 34 17.158 -3.991 -1.342 1.00 10.00 C ATOM 529 C ALA A 34 18.327 -3.007 -1.422 1.00 10.00 C ATOM 530 O ALA A 34 18.196 -1.908 -1.926 1.00 10.00 O ATOM 531 CB ALA A 34 16.435 -3.841 -0.004 1.00 10.00 C ATOM 0 H ALA A 34 17.385 -5.962 -0.556 1.00 10.00 H new ATOM 0 HA ALA A 34 16.501 -3.787 -2.187 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.026 -2.834 0.078 1.00 10.00 H new ATOM 0 HB2 ALA A 34 15.625 -4.568 0.055 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.138 -4.014 0.811 1.00 10.00 H new ATOM 537 N VAL A 35 19.471 -3.392 -0.922 1.00 10.00 N ATOM 538 CA VAL A 35 20.646 -2.488 -0.958 1.00 10.00 C ATOM 539 C VAL A 35 21.402 -2.661 -2.279 1.00 10.00 C ATOM 540 O VAL A 35 21.679 -1.706 -2.975 1.00 10.00 O ATOM 541 CB VAL A 35 21.496 -2.936 0.232 1.00 10.00 C ATOM 542 CG1 VAL A 35 22.968 -2.635 -0.032 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.042 -2.187 1.485 1.00 10.00 C ATOM 0 H VAL A 35 19.638 -4.300 -0.489 1.00 10.00 H new ATOM 0 HA VAL A 35 20.379 -1.433 -0.896 1.00 10.00 H new ATOM 0 HB VAL A 35 21.373 -4.009 0.376 1.00 10.00 H new ATOM 0 HG11 VAL A 35 23.564 -2.958 0.821 1.00 10.00 H new ATOM 0 HG12 VAL A 35 23.294 -3.168 -0.925 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.099 -1.563 -0.181 1.00 10.00 H new ATOM 0 HG21 VAL A 35 21.645 -2.503 2.336 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.164 -1.115 1.332 1.00 10.00 H new ATOM 0 HG23 VAL A 35 19.993 -2.409 1.681 1.00 10.00 H new ATOM 553 N GLU A 36 21.737 -3.873 -2.632 1.00 10.00 N ATOM 554 CA GLU A 36 22.473 -4.099 -3.908 1.00 10.00 C ATOM 555 C GLU A 36 21.789 -3.346 -5.055 1.00 10.00 C ATOM 556 O GLU A 36 22.438 -2.797 -5.923 1.00 10.00 O ATOM 557 CB GLU A 36 22.419 -5.618 -4.127 1.00 10.00 C ATOM 558 CG GLU A 36 21.885 -5.933 -5.528 1.00 10.00 C ATOM 559 CD GLU A 36 22.280 -7.359 -5.916 1.00 10.00 C ATOM 560 OE1 GLU A 36 22.018 -8.259 -5.135 1.00 10.00 O ATOM 561 OE2 GLU A 36 22.839 -7.528 -6.987 1.00 10.00 O ATOM 0 H GLU A 36 21.533 -4.714 -2.093 1.00 10.00 H new ATOM 0 HA GLU A 36 23.500 -3.734 -3.872 1.00 10.00 H new ATOM 0 HB2 GLU A 36 23.414 -6.046 -4.005 1.00 10.00 H new ATOM 0 HB3 GLU A 36 21.779 -6.079 -3.374 1.00 10.00 H new ATOM 0 HG2 GLU A 36 20.800 -5.827 -5.548 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.288 -5.223 -6.250 1.00 10.00 H new ATOM 568 N TYR A 37 20.485 -3.317 -5.067 1.00 10.00 N ATOM 569 CA TYR A 37 19.767 -2.600 -6.160 1.00 10.00 C ATOM 570 C TYR A 37 19.858 -1.085 -5.952 1.00 10.00 C ATOM 571 O TYR A 37 20.412 -0.371 -6.763 1.00 10.00 O ATOM 572 CB TYR A 37 18.316 -3.067 -6.058 1.00 10.00 C ATOM 573 CG TYR A 37 17.433 -2.143 -6.864 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.821 -1.752 -8.152 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.228 -1.677 -6.324 1.00 10.00 C ATOM 576 CE1 TYR A 37 17.004 -0.895 -8.899 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.411 -0.820 -7.073 1.00 10.00 C ATOM 578 CZ TYR A 37 15.799 -0.429 -8.360 1.00 10.00 C ATOM 579 OH TYR A 37 14.994 0.415 -9.097 1.00 10.00 O ATOM 0 H TYR A 37 19.886 -3.758 -4.369 1.00 10.00 H new ATOM 0 HA TYR A 37 20.195 -2.812 -7.140 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.225 -4.089 -6.427 1.00 10.00 H new ATOM 0 HB3 TYR A 37 17.997 -3.075 -5.016 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.750 -2.112 -8.569 1.00 10.00 H new ATOM 0 HD2 TYR A 37 15.929 -1.978 -5.331 1.00 10.00 H new ATOM 0 HE1 TYR A 37 17.304 -0.593 -9.892 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.481 -0.461 -6.657 1.00 10.00 H new ATOM 0 HH TYR A 37 14.196 0.643 -8.576 1.00 10.00 H new ATOM 589 N PHE A 38 19.315 -0.591 -4.873 1.00 10.00 N ATOM 590 CA PHE A 38 19.370 0.878 -4.620 1.00 10.00 C ATOM 591 C PHE A 38 20.824 1.345 -4.501 1.00 10.00 C ATOM 592 O PHE A 38 21.226 2.307 -5.123 1.00 10.00 O ATOM 593 CB PHE A 38 18.622 1.082 -3.303 1.00 10.00 C ATOM 594 CG PHE A 38 17.136 0.991 -3.551 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.568 1.652 -4.647 1.00 10.00 C ATOM 596 CD2 PHE A 38 16.325 0.248 -2.685 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.190 1.570 -4.878 1.00 10.00 C ATOM 598 CE2 PHE A 38 14.945 0.165 -2.916 1.00 10.00 C ATOM 599 CZ PHE A 38 14.378 0.826 -4.012 1.00 10.00 C ATOM 0 H PHE A 38 18.837 -1.139 -4.157 1.00 10.00 H new ATOM 0 HA PHE A 38 18.924 1.454 -5.431 1.00 10.00 H new ATOM 0 HB2 PHE A 38 18.928 0.328 -2.578 1.00 10.00 H new ATOM 0 HB3 PHE A 38 18.872 2.054 -2.877 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.194 2.226 -5.315 1.00 10.00 H new ATOM 0 HD2 PHE A 38 16.763 -0.261 -1.839 1.00 10.00 H new ATOM 0 HE1 PHE A 38 14.753 2.080 -5.724 1.00 10.00 H new ATOM 0 HE2 PHE A 38 14.319 -0.409 -2.249 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.315 0.762 -4.190 1.00 10.00 H new ATOM 609 N THR A 39 21.619 0.670 -3.714 1.00 10.00 N ATOM 610 CA THR A 39 23.046 1.085 -3.573 1.00 10.00 C ATOM 611 C THR A 39 23.686 1.208 -4.956 1.00 10.00 C ATOM 612 O THR A 39 24.386 2.158 -5.245 1.00 10.00 O ATOM 613 CB THR A 39 23.715 -0.033 -2.769 1.00 10.00 C ATOM 614 OG1 THR A 39 23.185 -0.054 -1.452 1.00 10.00 O ATOM 615 CG2 THR A 39 25.224 0.213 -2.708 1.00 10.00 C ATOM 0 H THR A 39 21.345 -0.145 -3.166 1.00 10.00 H new ATOM 0 HA THR A 39 23.150 2.051 -3.079 1.00 10.00 H new ATOM 0 HB THR A 39 23.523 -0.991 -3.252 1.00 10.00 H new ATOM 0 HG1 THR A 39 23.920 -0.047 -0.804 1.00 10.00 H new ATOM 0 HG21 THR A 39 25.700 -0.583 -2.135 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.632 0.226 -3.719 1.00 10.00 H new ATOM 0 HG23 THR A 39 25.417 1.171 -2.226 1.00 10.00 H new ATOM 623 N ARG A 40 23.444 0.256 -5.817 1.00 10.00 N ATOM 624 CA ARG A 40 24.031 0.321 -7.186 1.00 10.00 C ATOM 625 C ARG A 40 23.486 1.544 -7.926 1.00 10.00 C ATOM 626 O ARG A 40 24.124 2.088 -8.805 1.00 10.00 O ATOM 627 CB ARG A 40 23.578 -0.968 -7.871 1.00 10.00 C ATOM 628 CG ARG A 40 24.640 -2.052 -7.675 1.00 10.00 C ATOM 629 CD ARG A 40 24.335 -3.236 -8.596 1.00 10.00 C ATOM 630 NE ARG A 40 25.631 -3.552 -9.258 1.00 10.00 N ATOM 631 CZ ARG A 40 25.984 -2.913 -10.340 1.00 10.00 C ATOM 632 NH1 ARG A 40 25.623 -1.671 -10.512 1.00 10.00 N ATOM 633 NH2 ARG A 40 26.698 -3.517 -11.251 1.00 10.00 N ATOM 0 H ARG A 40 22.865 -0.563 -5.631 1.00 10.00 H new ATOM 0 HA ARG A 40 25.117 0.412 -7.172 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.626 -1.298 -7.455 1.00 10.00 H new ATOM 0 HB3 ARG A 40 23.417 -0.790 -8.934 1.00 10.00 H new ATOM 0 HG2 ARG A 40 25.629 -1.651 -7.895 1.00 10.00 H new ATOM 0 HG3 ARG A 40 24.653 -2.380 -6.636 1.00 10.00 H new ATOM 0 HD2 ARG A 40 23.962 -4.090 -8.031 1.00 10.00 H new ATOM 0 HD3 ARG A 40 23.570 -2.980 -9.329 1.00 10.00 H new ATOM 0 HE ARG A 40 26.243 -4.268 -8.866 1.00 10.00 H new ATOM 0 HH11 ARG A 40 25.065 -1.199 -9.801 1.00 10.00 H new ATOM 0 HH12 ARG A 40 25.899 -1.172 -11.358 1.00 10.00 H new ATOM 0 HH21 ARG A 40 26.980 -4.488 -11.117 1.00 10.00 H new ATOM 0 HH22 ARG A 40 26.974 -3.018 -12.097 1.00 10.00 H new ATOM 647 N LEU A 41 22.307 1.980 -7.572 1.00 10.00 N ATOM 648 CA LEU A 41 21.716 3.170 -8.250 1.00 10.00 C ATOM 649 C LEU A 41 22.500 4.429 -7.874 1.00 10.00 C ATOM 650 O LEU A 41 22.682 5.323 -8.678 1.00 10.00 O ATOM 651 CB LEU A 41 20.282 3.252 -7.723 1.00 10.00 C ATOM 652 CG LEU A 41 19.451 4.154 -8.637 1.00 10.00 C ATOM 653 CD1 LEU A 41 19.644 3.728 -10.092 1.00 10.00 C ATOM 654 CD2 LEU A 41 17.972 4.031 -8.263 1.00 10.00 C ATOM 0 H LEU A 41 21.728 1.564 -6.843 1.00 10.00 H new ATOM 0 HA LEU A 41 21.746 3.088 -9.337 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.842 2.256 -7.680 1.00 10.00 H new ATOM 0 HB3 LEU A 41 20.279 3.645 -6.706 1.00 10.00 H new ATOM 0 HG LEU A 41 19.774 5.188 -8.517 1.00 10.00 H new ATOM 0 HD11 LEU A 41 19.051 4.372 -10.741 1.00 10.00 H new ATOM 0 HD12 LEU A 41 20.697 3.814 -10.360 1.00 10.00 H new ATOM 0 HD13 LEU A 41 19.322 2.694 -10.214 1.00 10.00 H new ATOM 0 HD21 LEU A 41 17.378 4.673 -8.913 1.00 10.00 H new ATOM 0 HD22 LEU A 41 17.651 2.996 -8.383 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.832 4.336 -7.226 1.00 10.00 H new ATOM 666 N ARG A 42 22.968 4.506 -6.658 1.00 10.00 N ATOM 667 CA ARG A 42 23.744 5.706 -6.231 1.00 10.00 C ATOM 668 C ARG A 42 24.881 5.973 -7.220 1.00 10.00 C ATOM 669 O ARG A 42 25.253 7.104 -7.463 1.00 10.00 O ATOM 670 CB ARG A 42 24.302 5.347 -4.854 1.00 10.00 C ATOM 671 CG ARG A 42 23.444 5.996 -3.768 1.00 10.00 C ATOM 672 CD ARG A 42 24.243 7.106 -3.079 1.00 10.00 C ATOM 673 NE ARG A 42 24.840 6.462 -1.875 1.00 10.00 N ATOM 674 CZ ARG A 42 26.109 6.616 -1.615 1.00 10.00 C ATOM 675 NH1 ARG A 42 26.973 6.688 -2.591 1.00 10.00 N ATOM 676 NH2 ARG A 42 26.515 6.700 -0.377 1.00 10.00 N ATOM 0 H ARG A 42 22.847 3.790 -5.942 1.00 10.00 H new ATOM 0 HA ARG A 42 23.132 6.607 -6.198 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.312 4.265 -4.725 1.00 10.00 H new ATOM 0 HB3 ARG A 42 25.334 5.688 -4.768 1.00 10.00 H new ATOM 0 HG2 ARG A 42 22.534 6.407 -4.206 1.00 10.00 H new ATOM 0 HG3 ARG A 42 23.137 5.248 -3.037 1.00 10.00 H new ATOM 0 HD2 ARG A 42 25.015 7.503 -3.738 1.00 10.00 H new ATOM 0 HD3 ARG A 42 23.600 7.941 -2.802 1.00 10.00 H new ATOM 0 HE ARG A 42 24.257 5.901 -1.254 1.00 10.00 H new ATOM 0 HH11 ARG A 42 26.656 6.624 -3.558 1.00 10.00 H new ATOM 0 HH12 ARG A 42 27.965 6.808 -2.386 1.00 10.00 H new ATOM 0 HH21 ARG A 42 25.840 6.645 0.386 1.00 10.00 H new ATOM 0 HH22 ARG A 42 27.507 6.820 -0.173 1.00 10.00 H new ATOM 690 N GLU A 43 25.432 4.939 -7.793 1.00 10.00 N ATOM 691 CA GLU A 43 26.543 5.132 -8.769 1.00 10.00 C ATOM 692 C GLU A 43 25.979 5.564 -10.124 1.00 10.00 C ATOM 693 O GLU A 43 26.559 6.372 -10.823 1.00 10.00 O ATOM 694 CB GLU A 43 27.228 3.762 -8.862 1.00 10.00 C ATOM 695 CG GLU A 43 27.246 3.278 -10.316 1.00 10.00 C ATOM 696 CD GLU A 43 27.989 1.944 -10.401 1.00 10.00 C ATOM 697 OE1 GLU A 43 28.591 1.559 -9.413 1.00 10.00 O ATOM 698 OE2 GLU A 43 27.944 1.330 -11.455 1.00 10.00 O ATOM 0 H GLU A 43 25.162 3.969 -7.628 1.00 10.00 H new ATOM 0 HA GLU A 43 27.244 5.909 -8.463 1.00 10.00 H new ATOM 0 HB2 GLU A 43 28.247 3.830 -8.481 1.00 10.00 H new ATOM 0 HB3 GLU A 43 26.701 3.041 -8.237 1.00 10.00 H new ATOM 0 HG2 GLU A 43 26.227 3.163 -10.685 1.00 10.00 H new ATOM 0 HG3 GLU A 43 27.733 4.018 -10.951 1.00 10.00 H new ATOM 705 N ALA A 44 24.850 5.033 -10.496 1.00 10.00 N ATOM 706 CA ALA A 44 24.241 5.410 -11.804 1.00 10.00 C ATOM 707 C ALA A 44 24.346 6.911 -12.023 1.00 10.00 C ATOM 708 O ALA A 44 25.081 7.384 -12.867 1.00 10.00 O ATOM 709 CB ALA A 44 22.768 5.037 -11.689 1.00 10.00 C ATOM 0 H ALA A 44 24.320 4.353 -9.951 1.00 10.00 H new ATOM 0 HA ALA A 44 24.742 4.909 -12.632 1.00 10.00 H new ATOM 0 HB1 ALA A 44 22.256 5.287 -12.618 1.00 10.00 H new ATOM 0 HB2 ALA A 44 22.677 3.967 -11.501 1.00 10.00 H new ATOM 0 HB3 ALA A 44 22.316 5.590 -10.865 1.00 10.00 H new ATOM 715 N ARG A 45 23.585 7.659 -11.274 1.00 10.00 N ATOM 716 CA ARG A 45 23.593 9.134 -11.428 1.00 10.00 C ATOM 717 C ARG A 45 24.993 9.629 -11.801 1.00 10.00 C ATOM 718 O ARG A 45 25.990 9.085 -11.370 1.00 10.00 O ATOM 719 CB ARG A 45 23.173 9.679 -10.062 1.00 10.00 C ATOM 720 CG ARG A 45 21.820 10.382 -10.187 1.00 10.00 C ATOM 721 CD ARG A 45 20.696 9.377 -9.923 1.00 10.00 C ATOM 722 NE ARG A 45 20.498 9.398 -8.447 1.00 10.00 N ATOM 723 CZ ARG A 45 21.207 8.614 -7.681 1.00 10.00 C ATOM 724 NH1 ARG A 45 20.873 7.360 -7.545 1.00 10.00 N ATOM 725 NH2 ARG A 45 22.249 9.085 -7.052 1.00 10.00 N ATOM 0 H ARG A 45 22.953 7.305 -10.556 1.00 10.00 H new ATOM 0 HA ARG A 45 22.924 9.466 -12.222 1.00 10.00 H new ATOM 0 HB2 ARG A 45 23.107 8.866 -9.339 1.00 10.00 H new ATOM 0 HB3 ARG A 45 23.924 10.376 -9.690 1.00 10.00 H new ATOM 0 HG2 ARG A 45 21.760 11.206 -9.476 1.00 10.00 H new ATOM 0 HG3 ARG A 45 21.712 10.811 -11.183 1.00 10.00 H new ATOM 0 HD2 ARG A 45 19.783 9.659 -10.448 1.00 10.00 H new ATOM 0 HD3 ARG A 45 20.968 8.380 -10.270 1.00 10.00 H new ATOM 0 HE ARG A 45 19.808 10.026 -8.034 1.00 10.00 H new ATOM 0 HH11 ARG A 45 20.058 6.993 -8.037 1.00 10.00 H new ATOM 0 HH12 ARG A 45 21.427 6.747 -6.947 1.00 10.00 H new ATOM 0 HH21 ARG A 45 22.509 10.065 -7.159 1.00 10.00 H new ATOM 0 HH22 ARG A 45 22.803 8.473 -6.453 1.00 10.00 H new ATOM 739 N ARG A 46 25.076 10.660 -12.598 1.00 10.00 N ATOM 740 CA ARG A 46 26.411 11.189 -12.997 1.00 10.00 C ATOM 741 C ARG A 46 27.146 10.167 -13.868 1.00 10.00 C ATOM 742 O ARG A 46 26.716 9.025 -13.899 1.00 10.00 O ATOM 743 CB ARG A 46 27.158 11.409 -11.682 1.00 10.00 C ATOM 744 CG ARG A 46 28.261 12.450 -11.887 1.00 10.00 C ATOM 745 CD ARG A 46 28.048 13.618 -10.921 1.00 10.00 C ATOM 746 NE ARG A 46 29.245 14.486 -11.098 1.00 10.00 N ATOM 747 CZ ARG A 46 29.107 15.705 -11.543 1.00 10.00 C ATOM 748 NH1 ARG A 46 28.556 16.618 -10.791 1.00 10.00 N ATOM 749 NH2 ARG A 46 29.521 16.012 -12.743 1.00 10.00 N ATOM 750 OXT ARG A 46 28.126 10.543 -14.489 1.00 10.00 O ATOM 0 H ARG A 46 24.277 11.158 -12.990 1.00 10.00 H new ATOM 0 HA ARG A 46 26.335 12.106 -13.581 1.00 10.00 H new ATOM 0 HB2 ARG A 46 26.465 11.745 -10.910 1.00 10.00 H new ATOM 0 HB3 ARG A 46 27.590 10.470 -11.336 1.00 10.00 H new ATOM 0 HG2 ARG A 46 29.238 11.998 -11.718 1.00 10.00 H new ATOM 0 HG3 ARG A 46 28.250 12.809 -12.916 1.00 10.00 H new ATOM 0 HD2 ARG A 46 27.130 14.159 -11.152 1.00 10.00 H new ATOM 0 HD3 ARG A 46 27.962 13.269 -9.892 1.00 10.00 H new ATOM 0 HE ARG A 46 30.173 14.128 -10.871 1.00 10.00 H new ATOM 0 HH11 ARG A 46 28.232 16.379 -9.854 1.00 10.00 H new ATOM 0 HH12 ARG A 46 28.449 17.570 -11.141 1.00 10.00 H new ATOM 0 HH21 ARG A 46 29.952 15.299 -13.332 1.00 10.00 H new ATOM 0 HH22 ARG A 46 29.413 16.965 -13.091 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 -10.419 -14.464 3.009 1.00 10.00 N ATOM 766 CA HIS B 1 -9.091 -13.831 3.254 1.00 10.00 C ATOM 767 C HIS B 1 -9.202 -12.306 3.156 1.00 10.00 C ATOM 768 O HIS B 1 -10.266 -11.741 3.316 1.00 10.00 O ATOM 769 CB HIS B 1 -8.184 -14.377 2.150 1.00 10.00 C ATOM 770 CG HIS B 1 -7.869 -15.820 2.431 1.00 10.00 C ATOM 771 ND1 HIS B 1 -6.656 -16.220 2.970 1.00 10.00 N ATOM 772 CD2 HIS B 1 -8.597 -16.970 2.252 1.00 10.00 C ATOM 773 CE1 HIS B 1 -6.690 -17.559 3.095 1.00 10.00 C ATOM 774 NE2 HIS B 1 -7.851 -18.067 2.673 1.00 10.00 N ATOM 0 H1 HIS B 1 -10.632 -15.133 3.777 1.00 10.00 H new ATOM 0 H2 HIS B 1 -11.154 -13.728 2.977 1.00 10.00 H new ATOM 0 H3 HIS B 1 -10.399 -14.973 2.102 1.00 10.00 H new ATOM 0 HA HIS B 1 -8.704 -14.055 4.248 1.00 10.00 H new ATOM 0 HB2 HIS B 1 -8.674 -14.282 1.181 1.00 10.00 H new ATOM 0 HB3 HIS B 1 -7.263 -13.795 2.100 1.00 10.00 H new ATOM 0 HD2 HIS B 1 -9.597 -17.016 1.846 1.00 10.00 H new ATOM 0 HE1 HIS B 1 -5.877 -18.151 3.489 1.00 10.00 H new ATOM 0 HE2 HIS B 1 -8.131 -19.048 2.662 1.00 10.00 H new ATOM 784 N MET B 2 -8.113 -11.636 2.896 1.00 10.00 N ATOM 785 CA MET B 2 -8.158 -10.147 2.791 1.00 10.00 C ATOM 786 C MET B 2 -7.120 -9.657 1.778 1.00 10.00 C ATOM 787 O MET B 2 -7.360 -8.734 1.026 1.00 10.00 O ATOM 788 CB MET B 2 -7.825 -9.629 4.196 1.00 10.00 C ATOM 789 CG MET B 2 -7.083 -10.709 4.989 1.00 10.00 C ATOM 790 SD MET B 2 -6.022 -9.930 6.230 1.00 10.00 S ATOM 791 CE MET B 2 -5.144 -11.425 6.745 1.00 10.00 C ATOM 0 H MET B 2 -7.194 -12.054 2.752 1.00 10.00 H new ATOM 0 HA MET B 2 -9.130 -9.791 2.450 1.00 10.00 H new ATOM 0 HB2 MET B 2 -7.211 -8.731 4.126 1.00 10.00 H new ATOM 0 HB3 MET B 2 -8.741 -9.349 4.716 1.00 10.00 H new ATOM 0 HG2 MET B 2 -7.798 -11.374 5.473 1.00 10.00 H new ATOM 0 HG3 MET B 2 -6.483 -11.321 4.316 1.00 10.00 H new ATOM 0 HE1 MET B 2 -4.422 -11.174 7.522 1.00 10.00 H new ATOM 0 HE2 MET B 2 -5.858 -12.151 7.134 1.00 10.00 H new ATOM 0 HE3 MET B 2 -4.621 -11.853 5.890 1.00 10.00 H new ATOM 801 N GLY B 3 -5.967 -10.270 1.751 1.00 10.00 N ATOM 802 CA GLY B 3 -4.915 -9.839 0.786 1.00 10.00 C ATOM 803 C GLY B 3 -4.005 -11.025 0.462 1.00 10.00 C ATOM 804 O GLY B 3 -3.265 -11.499 1.301 1.00 10.00 O ATOM 0 H GLY B 3 -5.708 -11.050 2.355 1.00 10.00 H new ATOM 0 HA2 GLY B 3 -5.376 -9.461 -0.126 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -4.330 -9.023 1.210 1.00 10.00 H new ATOM 808 N HIS B 4 -4.053 -11.511 -0.748 1.00 10.00 N ATOM 809 CA HIS B 4 -3.190 -12.669 -1.119 1.00 10.00 C ATOM 810 C HIS B 4 -2.381 -12.351 -2.381 1.00 10.00 C ATOM 811 O HIS B 4 -1.345 -12.935 -2.628 1.00 10.00 O ATOM 812 CB HIS B 4 -4.162 -13.819 -1.381 1.00 10.00 C ATOM 813 CG HIS B 4 -4.002 -14.865 -0.314 1.00 10.00 C ATOM 814 ND1 HIS B 4 -2.763 -15.208 0.206 1.00 10.00 N ATOM 815 CD2 HIS B 4 -4.914 -15.655 0.342 1.00 10.00 C ATOM 816 CE1 HIS B 4 -2.961 -16.163 1.131 1.00 10.00 C ATOM 817 NE2 HIS B 4 -4.255 -16.474 1.254 1.00 10.00 N ATOM 0 H HIS B 4 -4.651 -11.157 -1.495 1.00 10.00 H new ATOM 0 HA HIS B 4 -2.470 -12.912 -0.337 1.00 10.00 H new ATOM 0 HB2 HIS B 4 -5.187 -13.448 -1.390 1.00 10.00 H new ATOM 0 HB3 HIS B 4 -3.972 -14.254 -2.362 1.00 10.00 H new ATOM 0 HD1 HIS B 4 -1.864 -14.808 -0.064 1.00 10.00 H new ATOM 0 HD2 HIS B 4 -5.981 -15.643 0.175 1.00 10.00 H new ATOM 0 HE1 HIS B 4 -2.170 -16.623 1.705 1.00 10.00 H new ATOM 825 N ILE B 5 -2.847 -11.431 -3.182 1.00 10.00 N ATOM 826 CA ILE B 5 -2.100 -11.083 -4.426 1.00 10.00 C ATOM 827 C ILE B 5 -1.610 -9.633 -4.365 1.00 10.00 C ATOM 828 O ILE B 5 -1.765 -8.875 -5.302 1.00 10.00 O ATOM 829 CB ILE B 5 -3.112 -11.260 -5.557 1.00 10.00 C ATOM 830 CG1 ILE B 5 -2.377 -11.247 -6.900 1.00 10.00 C ATOM 831 CG2 ILE B 5 -4.126 -10.115 -5.520 1.00 10.00 C ATOM 832 CD1 ILE B 5 -2.548 -12.601 -7.590 1.00 10.00 C ATOM 0 H ILE B 5 -3.709 -10.907 -3.030 1.00 10.00 H new ATOM 0 HA ILE B 5 -1.218 -11.708 -4.565 1.00 10.00 H new ATOM 0 HB ILE B 5 -3.634 -12.209 -5.434 1.00 10.00 H new ATOM 0 HG12 ILE B 5 -2.770 -10.452 -7.534 1.00 10.00 H new ATOM 0 HG13 ILE B 5 -1.319 -11.037 -6.745 1.00 10.00 H new ATOM 0 HG21 ILE B 5 -4.848 -10.242 -6.327 1.00 10.00 H new ATOM 0 HG22 ILE B 5 -4.647 -10.121 -4.563 1.00 10.00 H new ATOM 0 HG23 ILE B 5 -3.607 -9.165 -5.644 1.00 10.00 H new ATOM 0 HD11 ILE B 5 -2.024 -12.591 -8.546 1.00 10.00 H new ATOM 0 HD12 ILE B 5 -2.134 -13.386 -6.958 1.00 10.00 H new ATOM 0 HD13 ILE B 5 -3.608 -12.792 -7.759 1.00 10.00 H new ATOM 844 N GLN B 6 -1.017 -9.243 -3.270 1.00 10.00 N ATOM 845 CA GLN B 6 -0.512 -7.845 -3.150 1.00 10.00 C ATOM 846 C GLN B 6 0.952 -7.854 -2.703 1.00 10.00 C ATOM 847 O GLN B 6 1.664 -8.818 -2.910 1.00 10.00 O ATOM 848 CB GLN B 6 -1.401 -7.190 -2.092 1.00 10.00 C ATOM 849 CG GLN B 6 -1.600 -8.153 -0.921 1.00 10.00 C ATOM 850 CD GLN B 6 -2.222 -7.400 0.257 1.00 10.00 C ATOM 851 OE1 GLN B 6 -2.630 -6.263 0.119 1.00 10.00 O ATOM 852 NE2 GLN B 6 -2.313 -7.989 1.417 1.00 10.00 N ATOM 0 H GLN B 6 -0.860 -9.832 -2.452 1.00 10.00 H new ATOM 0 HA GLN B 6 -0.550 -7.305 -4.096 1.00 10.00 H new ATOM 0 HB2 GLN B 6 -0.944 -6.265 -1.741 1.00 10.00 H new ATOM 0 HB3 GLN B 6 -2.365 -6.925 -2.526 1.00 10.00 H new ATOM 0 HG2 GLN B 6 -2.246 -8.979 -1.221 1.00 10.00 H new ATOM 0 HG3 GLN B 6 -0.644 -8.586 -0.626 1.00 10.00 H new ATOM 0 HE21 GLN B 6 -1.971 -8.943 1.533 1.00 10.00 H new ATOM 0 HE22 GLN B 6 -2.726 -7.496 2.208 1.00 10.00 H new ATOM 861 N ILE B 7 1.412 -6.793 -2.097 1.00 10.00 N ATOM 862 CA ILE B 7 2.835 -6.756 -1.646 1.00 10.00 C ATOM 863 C ILE B 7 3.241 -8.105 -1.038 1.00 10.00 C ATOM 864 O ILE B 7 2.429 -8.820 -0.484 1.00 10.00 O ATOM 865 CB ILE B 7 2.919 -5.637 -0.598 1.00 10.00 C ATOM 866 CG1 ILE B 7 2.371 -6.136 0.741 1.00 10.00 C ATOM 867 CG2 ILE B 7 2.103 -4.428 -1.062 1.00 10.00 C ATOM 868 CD1 ILE B 7 1.025 -6.818 0.517 1.00 10.00 C ATOM 0 H ILE B 7 0.868 -5.954 -1.895 1.00 10.00 H new ATOM 0 HA ILE B 7 3.514 -6.568 -2.478 1.00 10.00 H new ATOM 0 HB ILE B 7 3.962 -5.345 -0.476 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.073 -6.834 1.196 1.00 10.00 H new ATOM 0 HG13 ILE B 7 2.257 -5.302 1.433 1.00 10.00 H new ATOM 0 HG21 ILE B 7 2.167 -3.637 -0.314 1.00 10.00 H new ATOM 0 HG22 ILE B 7 2.499 -4.064 -2.010 1.00 10.00 H new ATOM 0 HG23 ILE B 7 1.061 -4.721 -1.193 1.00 10.00 H new ATOM 0 HD11 ILE B 7 0.634 -7.174 1.470 1.00 10.00 H new ATOM 0 HD12 ILE B 7 0.325 -6.106 0.081 1.00 10.00 H new ATOM 0 HD13 ILE B 7 1.153 -7.662 -0.160 1.00 10.00 H new ATOM 880 N PRO B 8 4.498 -8.404 -1.177 1.00 10.00 N ATOM 881 CA PRO B 8 5.057 -9.673 -0.654 1.00 10.00 C ATOM 882 C PRO B 8 5.200 -9.620 0.870 1.00 10.00 C ATOM 883 O PRO B 8 5.298 -8.556 1.448 1.00 10.00 O ATOM 884 CB PRO B 8 6.420 -9.766 -1.320 1.00 10.00 C ATOM 885 CG PRO B 8 6.787 -8.357 -1.638 1.00 10.00 C ATOM 886 CD PRO B 8 5.507 -7.586 -1.836 1.00 10.00 C ATOM 0 HA PRO B 8 4.422 -10.533 -0.865 1.00 10.00 H new ATOM 0 HB2 PRO B 8 7.153 -10.226 -0.657 1.00 10.00 H new ATOM 0 HB3 PRO B 8 6.378 -10.377 -2.222 1.00 10.00 H new ATOM 0 HG2 PRO B 8 7.374 -7.923 -0.829 1.00 10.00 H new ATOM 0 HG3 PRO B 8 7.402 -8.315 -2.537 1.00 10.00 H new ATOM 0 HD2 PRO B 8 5.567 -6.592 -1.393 1.00 10.00 H new ATOM 0 HD3 PRO B 8 5.282 -7.450 -2.894 1.00 10.00 H new ATOM 894 N PRO B 9 5.213 -10.780 1.466 1.00 10.00 N ATOM 895 CA PRO B 9 5.351 -10.880 2.939 1.00 10.00 C ATOM 896 C PRO B 9 6.794 -10.579 3.360 1.00 10.00 C ATOM 897 O PRO B 9 7.735 -10.936 2.680 1.00 10.00 O ATOM 898 CB PRO B 9 4.994 -12.334 3.235 1.00 10.00 C ATOM 899 CG PRO B 9 5.284 -13.072 1.965 1.00 10.00 C ATOM 900 CD PRO B 9 5.097 -12.097 0.830 1.00 10.00 C ATOM 0 HA PRO B 9 4.720 -10.173 3.478 1.00 10.00 H new ATOM 0 HB2 PRO B 9 5.586 -12.725 4.062 1.00 10.00 H new ATOM 0 HB3 PRO B 9 3.946 -12.433 3.518 1.00 10.00 H new ATOM 0 HG2 PRO B 9 6.301 -13.464 1.972 1.00 10.00 H new ATOM 0 HG3 PRO B 9 4.614 -13.925 1.854 1.00 10.00 H new ATOM 0 HD2 PRO B 9 5.854 -12.235 0.058 1.00 10.00 H new ATOM 0 HD3 PRO B 9 4.126 -12.224 0.351 1.00 10.00 H new ATOM 908 N GLY B 10 6.973 -9.926 4.476 1.00 10.00 N ATOM 909 CA GLY B 10 8.353 -9.604 4.937 1.00 10.00 C ATOM 910 C GLY B 10 8.806 -8.282 4.315 1.00 10.00 C ATOM 911 O GLY B 10 9.604 -7.560 4.876 1.00 10.00 O ATOM 0 H GLY B 10 6.224 -9.602 5.088 1.00 10.00 H new ATOM 0 HA2 GLY B 10 8.377 -9.533 6.024 1.00 10.00 H new ATOM 0 HA3 GLY B 10 9.038 -10.404 4.655 1.00 10.00 H new ATOM 915 N LEU B 11 8.299 -7.958 3.156 1.00 10.00 N ATOM 916 CA LEU B 11 8.699 -6.683 2.498 1.00 10.00 C ATOM 917 C LEU B 11 8.012 -5.499 3.184 1.00 10.00 C ATOM 918 O LEU B 11 8.601 -4.456 3.379 1.00 10.00 O ATOM 919 CB LEU B 11 8.224 -6.825 1.048 1.00 10.00 C ATOM 920 CG LEU B 11 8.717 -5.638 0.212 1.00 10.00 C ATOM 921 CD1 LEU B 11 7.719 -4.484 0.320 1.00 10.00 C ATOM 922 CD2 LEU B 11 10.087 -5.176 0.717 1.00 10.00 C ATOM 0 H LEU B 11 7.625 -8.522 2.637 1.00 10.00 H new ATOM 0 HA LEU B 11 9.772 -6.500 2.557 1.00 10.00 H new ATOM 0 HB2 LEU B 11 8.597 -7.758 0.625 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.136 -6.874 1.017 1.00 10.00 H new ATOM 0 HG LEU B 11 8.804 -5.949 -0.829 1.00 10.00 H new ATOM 0 HD11 LEU B 11 8.071 -3.641 -0.275 1.00 10.00 H new ATOM 0 HD12 LEU B 11 6.746 -4.808 -0.050 1.00 10.00 H new ATOM 0 HD13 LEU B 11 7.627 -4.179 1.362 1.00 10.00 H new ATOM 0 HD21 LEU B 11 10.430 -4.333 0.118 1.00 10.00 H new ATOM 0 HD22 LEU B 11 10.006 -4.871 1.760 1.00 10.00 H new ATOM 0 HD23 LEU B 11 10.801 -5.995 0.633 1.00 10.00 H new ATOM 934 N THR B 12 6.768 -5.656 3.550 1.00 10.00 N ATOM 935 CA THR B 12 6.039 -4.540 4.223 1.00 10.00 C ATOM 936 C THR B 12 6.810 -4.058 5.454 1.00 10.00 C ATOM 937 O THR B 12 7.460 -3.032 5.428 1.00 10.00 O ATOM 938 CB THR B 12 4.694 -5.143 4.635 1.00 10.00 C ATOM 939 OG1 THR B 12 3.835 -5.206 3.504 1.00 10.00 O ATOM 940 CG2 THR B 12 4.050 -4.273 5.716 1.00 10.00 C ATOM 0 H THR B 12 6.225 -6.508 3.412 1.00 10.00 H new ATOM 0 HA THR B 12 5.920 -3.675 3.571 1.00 10.00 H new ATOM 0 HB THR B 12 4.854 -6.148 5.027 1.00 10.00 H new ATOM 0 HG1 THR B 12 2.975 -5.594 3.768 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.092 -4.704 6.008 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.707 -4.227 6.585 1.00 10.00 H new ATOM 0 HG23 THR B 12 3.891 -3.267 5.327 1.00 10.00 H new ATOM 948 N GLU B 13 6.730 -4.787 6.532 1.00 10.00 N ATOM 949 CA GLU B 13 7.446 -4.378 7.778 1.00 10.00 C ATOM 950 C GLU B 13 8.773 -3.693 7.437 1.00 10.00 C ATOM 951 O GLU B 13 9.029 -2.578 7.846 1.00 10.00 O ATOM 952 CB GLU B 13 7.695 -5.681 8.536 1.00 10.00 C ATOM 953 CG GLU B 13 6.563 -5.911 9.539 1.00 10.00 C ATOM 954 CD GLU B 13 6.826 -5.092 10.803 1.00 10.00 C ATOM 955 OE1 GLU B 13 6.942 -3.883 10.689 1.00 10.00 O ATOM 956 OE2 GLU B 13 6.908 -5.688 11.865 1.00 10.00 O ATOM 0 H GLU B 13 6.197 -5.654 6.606 1.00 10.00 H new ATOM 0 HA GLU B 13 6.869 -3.665 8.366 1.00 10.00 H new ATOM 0 HB2 GLU B 13 7.752 -6.516 7.837 1.00 10.00 H new ATOM 0 HB3 GLU B 13 8.652 -5.635 9.056 1.00 10.00 H new ATOM 0 HG2 GLU B 13 5.609 -5.623 9.098 1.00 10.00 H new ATOM 0 HG3 GLU B 13 6.493 -6.970 9.787 1.00 10.00 H new ATOM 963 N LEU B 14 9.619 -4.348 6.693 1.00 10.00 N ATOM 964 CA LEU B 14 10.927 -3.729 6.330 1.00 10.00 C ATOM 965 C LEU B 14 10.699 -2.415 5.578 1.00 10.00 C ATOM 966 O LEU B 14 11.435 -1.461 5.740 1.00 10.00 O ATOM 967 CB LEU B 14 11.614 -4.753 5.427 1.00 10.00 C ATOM 968 CG LEU B 14 12.838 -4.114 4.770 1.00 10.00 C ATOM 969 CD1 LEU B 14 14.049 -5.029 4.950 1.00 10.00 C ATOM 970 CD2 LEU B 14 12.568 -3.913 3.278 1.00 10.00 C ATOM 0 H LEU B 14 9.463 -5.284 6.320 1.00 10.00 H new ATOM 0 HA LEU B 14 11.529 -3.492 7.207 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.914 -5.624 6.010 1.00 10.00 H new ATOM 0 HB3 LEU B 14 10.920 -5.104 4.663 1.00 10.00 H new ATOM 0 HG LEU B 14 13.039 -3.150 5.236 1.00 10.00 H new ATOM 0 HD11 LEU B 14 14.922 -4.574 4.482 1.00 10.00 H new ATOM 0 HD12 LEU B 14 14.241 -5.173 6.013 1.00 10.00 H new ATOM 0 HD13 LEU B 14 13.849 -5.994 4.484 1.00 10.00 H new ATOM 0 HD21 LEU B 14 13.440 -3.457 2.809 1.00 10.00 H new ATOM 0 HD22 LEU B 14 12.367 -4.877 2.811 1.00 10.00 H new ATOM 0 HD23 LEU B 14 11.704 -3.261 3.149 1.00 10.00 H new ATOM 982 N LEU B 15 9.686 -2.356 4.757 1.00 10.00 N ATOM 983 CA LEU B 15 9.415 -1.102 3.997 1.00 10.00 C ATOM 984 C LEU B 15 8.927 -0.005 4.944 1.00 10.00 C ATOM 985 O LEU B 15 9.628 0.951 5.215 1.00 10.00 O ATOM 986 CB LEU B 15 8.317 -1.470 2.998 1.00 10.00 C ATOM 987 CG LEU B 15 8.625 -0.835 1.643 1.00 10.00 C ATOM 988 CD1 LEU B 15 8.572 0.688 1.770 1.00 10.00 C ATOM 989 CD2 LEU B 15 10.023 -1.260 1.188 1.00 10.00 C ATOM 0 H LEU B 15 9.035 -3.121 4.580 1.00 10.00 H new ATOM 0 HA LEU B 15 10.308 -0.722 3.500 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.251 -2.553 2.897 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.349 -1.124 3.362 1.00 10.00 H new ATOM 0 HG LEU B 15 7.888 -1.164 0.911 1.00 10.00 H new ATOM 0 HD11 LEU B 15 8.792 1.142 0.804 1.00 10.00 H new ATOM 0 HD12 LEU B 15 7.577 0.992 2.096 1.00 10.00 H new ATOM 0 HD13 LEU B 15 9.309 1.018 2.502 1.00 10.00 H new ATOM 0 HD21 LEU B 15 10.244 -0.808 0.221 1.00 10.00 H new ATOM 0 HD22 LEU B 15 10.760 -0.930 1.920 1.00 10.00 H new ATOM 0 HD23 LEU B 15 10.062 -2.346 1.098 1.00 10.00 H new ATOM 1001 N GLN B 16 7.730 -0.132 5.449 1.00 10.00 N ATOM 1002 CA GLN B 16 7.197 0.906 6.377 1.00 10.00 C ATOM 1003 C GLN B 16 8.293 1.360 7.344 1.00 10.00 C ATOM 1004 O GLN B 16 8.336 2.503 7.755 1.00 10.00 O ATOM 1005 CB GLN B 16 6.063 0.216 7.135 1.00 10.00 C ATOM 1006 CG GLN B 16 4.721 0.628 6.526 1.00 10.00 C ATOM 1007 CD GLN B 16 3.731 0.953 7.646 1.00 10.00 C ATOM 1008 OE1 GLN B 16 3.889 0.502 8.763 1.00 10.00 O ATOM 1009 NE2 GLN B 16 2.709 1.725 7.394 1.00 10.00 N ATOM 0 H GLN B 16 7.098 -0.910 5.259 1.00 10.00 H new ATOM 0 HA GLN B 16 6.851 1.795 5.849 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.182 -0.866 7.083 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.096 0.490 8.189 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.854 1.496 5.880 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.330 -0.176 5.903 1.00 10.00 H new ATOM 0 HE21 GLN B 16 2.575 2.104 6.457 1.00 10.00 H new ATOM 0 HE22 GLN B 16 2.044 1.949 8.134 1.00 10.00 H new ATOM 1018 N GLY B 17 9.182 0.477 7.708 1.00 10.00 N ATOM 1019 CA GLY B 17 10.276 0.864 8.642 1.00 10.00 C ATOM 1020 C GLY B 17 11.185 1.883 7.953 1.00 10.00 C ATOM 1021 O GLY B 17 11.431 2.960 8.463 1.00 10.00 O ATOM 0 H GLY B 17 9.198 -0.495 7.399 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.858 1.289 9.555 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.850 -0.015 8.934 1.00 10.00 H new ATOM 1025 N TYR B 18 11.675 1.558 6.787 1.00 10.00 N ATOM 1026 CA TYR B 18 12.554 2.507 6.059 1.00 10.00 C ATOM 1027 C TYR B 18 11.726 3.707 5.587 1.00 10.00 C ATOM 1028 O TYR B 18 12.197 4.827 5.554 1.00 10.00 O ATOM 1029 CB TYR B 18 13.081 1.694 4.881 1.00 10.00 C ATOM 1030 CG TYR B 18 12.988 2.518 3.633 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.733 3.691 3.525 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.157 2.108 2.593 1.00 10.00 C ATOM 1033 CE1 TYR B 18 13.649 4.466 2.361 1.00 10.00 C ATOM 1034 CE2 TYR B 18 12.067 2.877 1.426 1.00 10.00 C ATOM 1035 CZ TYR B 18 12.816 4.058 1.309 1.00 10.00 C ATOM 1036 OH TYR B 18 12.726 4.820 0.162 1.00 10.00 O ATOM 0 H TYR B 18 11.502 0.674 6.309 1.00 10.00 H new ATOM 0 HA TYR B 18 13.365 2.908 6.667 1.00 10.00 H new ATOM 0 HB2 TYR B 18 14.115 1.400 5.060 1.00 10.00 H new ATOM 0 HB3 TYR B 18 12.503 0.777 4.769 1.00 10.00 H new ATOM 0 HD1 TYR B 18 14.374 4.002 4.337 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.583 1.198 2.686 1.00 10.00 H new ATOM 0 HE1 TYR B 18 14.224 5.376 2.274 1.00 10.00 H new ATOM 0 HE2 TYR B 18 11.423 2.562 0.618 1.00 10.00 H new ATOM 0 HH TYR B 18 13.159 4.347 -0.579 1.00 10.00 H new ATOM 1046 N THR B 19 10.490 3.480 5.229 1.00 10.00 N ATOM 1047 CA THR B 19 9.628 4.605 4.770 1.00 10.00 C ATOM 1048 C THR B 19 9.396 5.582 5.923 1.00 10.00 C ATOM 1049 O THR B 19 9.408 6.784 5.745 1.00 10.00 O ATOM 1050 CB THR B 19 8.312 3.950 4.347 1.00 10.00 C ATOM 1051 OG1 THR B 19 8.583 2.681 3.769 1.00 10.00 O ATOM 1052 CG2 THR B 19 7.602 4.837 3.326 1.00 10.00 C ATOM 0 H THR B 19 10.041 2.564 5.235 1.00 10.00 H new ATOM 0 HA THR B 19 10.078 5.170 3.954 1.00 10.00 H new ATOM 0 HB THR B 19 7.671 3.824 5.220 1.00 10.00 H new ATOM 0 HG1 THR B 19 7.802 2.099 3.877 1.00 10.00 H new ATOM 0 HG21 THR B 19 6.665 4.368 3.026 1.00 10.00 H new ATOM 0 HG22 THR B 19 7.395 5.810 3.771 1.00 10.00 H new ATOM 0 HG23 THR B 19 8.239 4.966 2.451 1.00 10.00 H new ATOM 1060 N VAL B 20 9.195 5.072 7.108 1.00 10.00 N ATOM 1061 CA VAL B 20 8.972 5.969 8.277 1.00 10.00 C ATOM 1062 C VAL B 20 10.228 6.804 8.532 1.00 10.00 C ATOM 1063 O VAL B 20 10.160 7.913 9.024 1.00 10.00 O ATOM 1064 CB VAL B 20 8.700 5.031 9.453 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.667 5.836 10.753 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.349 4.341 9.246 1.00 10.00 C ATOM 0 H VAL B 20 9.176 4.074 7.317 1.00 10.00 H new ATOM 0 HA VAL B 20 8.148 6.665 8.119 1.00 10.00 H new ATOM 0 HB VAL B 20 9.489 4.282 9.512 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.473 5.166 11.591 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.627 6.331 10.899 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.877 6.585 10.697 1.00 10.00 H new ATOM 0 HG21 VAL B 20 7.151 3.671 10.082 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.562 5.093 9.189 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.371 3.768 8.319 1.00 10.00 H new ATOM 1076 N GLU B 21 11.376 6.285 8.189 1.00 10.00 N ATOM 1077 CA GLU B 21 12.633 7.063 8.404 1.00 10.00 C ATOM 1078 C GLU B 21 12.686 8.212 7.402 1.00 10.00 C ATOM 1079 O GLU B 21 13.187 9.282 7.684 1.00 10.00 O ATOM 1080 CB GLU B 21 13.798 6.099 8.143 1.00 10.00 C ATOM 1081 CG GLU B 21 13.360 4.658 8.368 1.00 10.00 C ATOM 1082 CD GLU B 21 14.558 3.822 8.824 1.00 10.00 C ATOM 1083 OE1 GLU B 21 15.390 3.511 7.987 1.00 10.00 O ATOM 1084 OE2 GLU B 21 14.622 3.507 10.001 1.00 10.00 O ATOM 0 H GLU B 21 11.499 5.362 7.772 1.00 10.00 H new ATOM 0 HA GLU B 21 12.682 7.474 9.412 1.00 10.00 H new ATOM 0 HB2 GLU B 21 14.156 6.221 7.121 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.631 6.339 8.803 1.00 10.00 H new ATOM 0 HG2 GLU B 21 12.571 4.620 9.119 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.945 4.246 7.448 1.00 10.00 H new ATOM 1091 N VAL B 22 12.166 7.987 6.227 1.00 10.00 N ATOM 1092 CA VAL B 22 12.174 9.050 5.187 1.00 10.00 C ATOM 1093 C VAL B 22 11.149 10.128 5.537 1.00 10.00 C ATOM 1094 O VAL B 22 11.472 11.291 5.654 1.00 10.00 O ATOM 1095 CB VAL B 22 11.794 8.344 3.884 1.00 10.00 C ATOM 1096 CG1 VAL B 22 12.387 9.111 2.707 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.353 6.918 3.883 1.00 10.00 C ATOM 0 H VAL B 22 11.734 7.108 5.943 1.00 10.00 H new ATOM 0 HA VAL B 22 13.143 9.543 5.107 1.00 10.00 H new ATOM 0 HB VAL B 22 10.708 8.308 3.798 1.00 10.00 H new ATOM 0 HG11 VAL B 22 12.119 8.612 1.776 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.994 10.128 2.700 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.472 9.142 2.803 1.00 10.00 H new ATOM 0 HG21 VAL B 22 12.079 6.420 2.953 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.439 6.953 3.970 1.00 10.00 H new ATOM 0 HG23 VAL B 22 11.939 6.364 4.726 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.913 9.750 5.716 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.876 10.758 6.071 1.00 10.00 C ATOM 1109 C LEU B 23B 9.305 11.514 7.332 1.00 10.00 C ATOM 1110 O LEU B 23B 8.826 12.593 7.618 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.607 9.948 6.332 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.427 10.601 5.610 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 5.229 9.652 5.629 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 6.057 11.905 6.320 1.00 10.00 C ATOM 0 H LEU B 23B 9.578 8.790 5.632 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.724 11.499 5.286 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.739 8.924 5.983 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.409 9.897 7.403 1.00 10.00 H new ATOM 0 HG LEU B 23B 6.704 10.814 4.577 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 4.388 10.117 5.115 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 5.493 8.722 5.125 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 4.950 9.439 6.661 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 5.216 12.372 5.807 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 5.779 11.691 7.352 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 6.912 12.582 6.307 1.00 10.00 H new ATOM 1126 N ARG B 24 10.209 10.950 8.086 1.00 10.00 N ATOM 1127 CA ARG B 24 10.678 11.626 9.330 1.00 10.00 C ATOM 1128 C ARG B 24 11.864 12.545 9.019 1.00 10.00 C ATOM 1129 O ARG B 24 11.890 13.695 9.408 1.00 10.00 O ATOM 1130 CB ARG B 24 11.106 10.487 10.256 1.00 10.00 C ATOM 1131 CG ARG B 24 12.033 11.029 11.347 1.00 10.00 C ATOM 1132 CD ARG B 24 11.486 10.636 12.721 1.00 10.00 C ATOM 1133 NE ARG B 24 12.692 10.434 13.571 1.00 10.00 N ATOM 1134 CZ ARG B 24 12.993 11.306 14.495 1.00 10.00 C ATOM 1135 NH1 ARG B 24 13.589 12.421 14.171 1.00 10.00 N ATOM 1136 NH2 ARG B 24 12.699 11.062 15.743 1.00 10.00 N ATOM 0 H ARG B 24 10.644 10.048 7.894 1.00 10.00 H new ATOM 0 HA ARG B 24 9.906 12.250 9.780 1.00 10.00 H new ATOM 0 HB2 ARG B 24 10.229 10.024 10.708 1.00 10.00 H new ATOM 0 HB3 ARG B 24 11.616 9.712 9.684 1.00 10.00 H new ATOM 0 HG2 ARG B 24 13.039 10.630 11.216 1.00 10.00 H new ATOM 0 HG3 ARG B 24 12.108 12.114 11.270 1.00 10.00 H new ATOM 0 HD2 ARG B 24 10.842 11.416 13.128 1.00 10.00 H new ATOM 0 HD3 ARG B 24 10.887 9.727 12.663 1.00 10.00 H new ATOM 0 HE ARG B 24 13.283 9.614 13.431 1.00 10.00 H new ATOM 0 HH11 ARG B 24 13.820 12.611 13.196 1.00 10.00 H new ATOM 0 HH12 ARG B 24 13.824 13.102 14.893 1.00 10.00 H new ATOM 0 HH21 ARG B 24 12.234 10.190 15.996 1.00 10.00 H new ATOM 0 HH22 ARG B 24 12.934 11.743 16.465 1.00 10.00 H new ATOM 1150 N GLN B 25 12.849 12.043 8.324 1.00 10.00 N ATOM 1151 CA GLN B 25 14.034 12.883 7.995 1.00 10.00 C ATOM 1152 C GLN B 25 13.812 13.629 6.675 1.00 10.00 C ATOM 1153 O GLN B 25 14.440 14.633 6.406 1.00 10.00 O ATOM 1154 CB GLN B 25 15.194 11.896 7.865 1.00 10.00 C ATOM 1155 CG GLN B 25 15.237 10.990 9.098 1.00 10.00 C ATOM 1156 CD GLN B 25 15.888 11.739 10.262 1.00 10.00 C ATOM 1157 OE1 GLN B 25 15.754 12.942 10.375 1.00 10.00 O ATOM 1158 NE2 GLN B 25 16.593 11.075 11.138 1.00 10.00 N ATOM 0 H GLN B 25 12.883 11.087 7.970 1.00 10.00 H new ATOM 0 HA GLN B 25 14.224 13.641 8.755 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.074 11.295 6.964 1.00 10.00 H new ATOM 0 HB3 GLN B 25 16.135 12.436 7.765 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.228 10.681 9.370 1.00 10.00 H new ATOM 0 HG3 GLN B 25 15.799 10.083 8.876 1.00 10.00 H new ATOM 0 HE21 GLN B 25 16.705 10.066 11.043 1.00 10.00 H new ATOM 0 HE22 GLN B 25 17.031 11.566 11.917 1.00 10.00 H new ATOM 1167 N GLN B 26 12.927 13.142 5.848 1.00 10.00 N ATOM 1168 CA GLN B 26 12.670 13.822 4.546 1.00 10.00 C ATOM 1169 C GLN B 26 13.995 14.220 3.891 1.00 10.00 C ATOM 1170 O GLN B 26 14.275 15.389 3.712 1.00 10.00 O ATOM 1171 CB GLN B 26 11.847 15.062 4.897 1.00 10.00 C ATOM 1172 CG GLN B 26 10.378 14.815 4.544 1.00 10.00 C ATOM 1173 CD GLN B 26 9.483 15.437 5.618 1.00 10.00 C ATOM 1174 OE1 GLN B 26 8.901 16.484 5.410 1.00 10.00 O ATOM 1175 NE2 GLN B 26 9.346 14.831 6.766 1.00 10.00 N ATOM 0 H GLN B 26 12.371 12.304 6.017 1.00 10.00 H new ATOM 0 HA GLN B 26 12.147 13.178 3.839 1.00 10.00 H new ATOM 0 HB2 GLN B 26 11.944 15.288 5.959 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.223 15.928 4.352 1.00 10.00 H new ATOM 0 HG2 GLN B 26 10.149 15.248 3.570 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.186 13.745 4.471 1.00 10.00 H new ATOM 0 HE21 GLN B 26 9.834 13.953 6.940 1.00 10.00 H new ATOM 0 HE22 GLN B 26 8.751 15.236 7.489 1.00 10.00 H new ATOM 1184 N PRO B 27 14.770 13.223 3.559 1.00 10.00 N ATOM 1185 CA PRO B 27 16.088 13.454 2.920 1.00 10.00 C ATOM 1186 C PRO B 27 15.912 13.977 1.492 1.00 10.00 C ATOM 1187 O PRO B 27 14.938 13.672 0.833 1.00 10.00 O ATOM 1188 CB PRO B 27 16.731 12.070 2.913 1.00 10.00 C ATOM 1189 CG PRO B 27 15.579 11.119 2.955 1.00 10.00 C ATOM 1190 CD PRO B 27 14.494 11.798 3.746 1.00 10.00 C ATOM 0 HA PRO B 27 16.689 14.198 3.443 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.337 11.919 2.020 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.389 11.934 3.771 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.235 10.882 1.948 1.00 10.00 H new ATOM 0 HG3 PRO B 27 15.869 10.178 3.423 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.503 11.530 3.379 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.530 11.518 4.799 1.00 10.00 H new ATOM 1198 N PRO B 28 16.875 14.745 1.059 1.00 10.00 N ATOM 1199 CA PRO B 28 16.839 15.315 -0.308 1.00 10.00 C ATOM 1200 C PRO B 28 17.047 14.209 -1.346 1.00 10.00 C ATOM 1201 O PRO B 28 16.652 14.333 -2.489 1.00 10.00 O ATOM 1202 CB PRO B 28 18.004 16.301 -0.316 1.00 10.00 C ATOM 1203 CG PRO B 28 18.933 15.799 0.739 1.00 10.00 C ATOM 1204 CD PRO B 28 18.074 15.153 1.794 1.00 10.00 C ATOM 0 HA PRO B 28 15.889 15.789 -0.554 1.00 10.00 H new ATOM 0 HB2 PRO B 28 18.491 16.331 -1.291 1.00 10.00 H new ATOM 0 HB3 PRO B 28 17.667 17.314 -0.097 1.00 10.00 H new ATOM 0 HG2 PRO B 28 19.641 15.082 0.323 1.00 10.00 H new ATOM 0 HG3 PRO B 28 19.518 16.616 1.162 1.00 10.00 H new ATOM 0 HD2 PRO B 28 18.574 14.299 2.251 1.00 10.00 H new ATOM 0 HD3 PRO B 28 17.834 15.849 2.598 1.00 10.00 H new ATOM 1212 N ASP B 29 17.664 13.127 -0.954 1.00 10.00 N ATOM 1213 CA ASP B 29 17.897 12.009 -1.913 1.00 10.00 C ATOM 1214 C ASP B 29 17.525 10.674 -1.262 1.00 10.00 C ATOM 1215 O ASP B 29 18.019 10.328 -0.206 1.00 10.00 O ATOM 1216 CB ASP B 29 19.394 12.060 -2.225 1.00 10.00 C ATOM 1217 CG ASP B 29 19.657 13.127 -3.289 1.00 10.00 C ATOM 1218 OD1 ASP B 29 18.898 13.184 -4.242 1.00 10.00 O ATOM 1219 OD2 ASP B 29 20.612 13.868 -3.131 1.00 10.00 O ATOM 0 H ASP B 29 18.017 12.969 -0.010 1.00 10.00 H new ATOM 0 HA ASP B 29 17.292 12.102 -2.815 1.00 10.00 H new ATOM 0 HB2 ASP B 29 19.957 12.287 -1.320 1.00 10.00 H new ATOM 0 HB3 ASP B 29 19.736 11.087 -2.578 1.00 10.00 H new ATOM 1224 N LEU B 30 16.656 9.923 -1.880 1.00 10.00 N ATOM 1225 CA LEU B 30 16.249 8.612 -1.295 1.00 10.00 C ATOM 1226 C LEU B 30 17.299 7.542 -1.601 1.00 10.00 C ATOM 1227 O LEU B 30 17.952 7.036 -0.712 1.00 10.00 O ATOM 1228 CB LEU B 30 14.920 8.272 -1.975 1.00 10.00 C ATOM 1229 CG LEU B 30 14.147 7.255 -1.131 1.00 10.00 C ATOM 1230 CD1 LEU B 30 15.115 6.230 -0.537 1.00 10.00 C ATOM 1231 CD2 LEU B 30 13.419 7.980 0.000 1.00 10.00 C ATOM 0 H LEU B 30 16.209 10.160 -2.766 1.00 10.00 H new ATOM 0 HA LEU B 30 16.154 8.657 -0.210 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.326 9.177 -2.104 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.104 7.867 -2.970 1.00 10.00 H new ATOM 0 HG LEU B 30 13.423 6.742 -1.763 1.00 10.00 H new ATOM 0 HD11 LEU B 30 14.559 5.509 0.062 1.00 10.00 H new ATOM 0 HD12 LEU B 30 15.633 5.709 -1.342 1.00 10.00 H new ATOM 0 HD13 LEU B 30 15.844 6.740 0.093 1.00 10.00 H new ATOM 0 HD21 LEU B 30 12.869 7.256 0.601 1.00 10.00 H new ATOM 0 HD22 LEU B 30 14.145 8.496 0.628 1.00 10.00 H new ATOM 0 HD23 LEU B 30 12.723 8.706 -0.421 1.00 10.00 H new ATOM 1243 N VAL B 31 17.456 7.193 -2.852 1.00 10.00 N ATOM 1244 CA VAL B 31 18.463 6.149 -3.229 1.00 10.00 C ATOM 1245 C VAL B 31 19.530 6.012 -2.145 1.00 10.00 C ATOM 1246 O VAL B 31 19.751 4.950 -1.600 1.00 10.00 O ATOM 1247 CB VAL B 31 19.102 6.667 -4.516 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.896 5.539 -5.178 1.00 10.00 C ATOM 1249 CG2 VAL B 31 18.008 7.148 -5.471 1.00 10.00 C ATOM 0 H VAL B 31 16.930 7.586 -3.633 1.00 10.00 H new ATOM 0 HA VAL B 31 18.002 5.169 -3.352 1.00 10.00 H new ATOM 0 HB VAL B 31 19.770 7.496 -4.283 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.353 5.906 -6.097 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.675 5.195 -4.498 1.00 10.00 H new ATOM 0 HG13 VAL B 31 19.226 4.711 -5.412 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.464 7.518 -6.390 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.340 6.320 -5.705 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.440 7.950 -4.999 1.00 10.00 H new ATOM 1259 N ASP B 32 20.192 7.088 -1.834 1.00 10.00 N ATOM 1260 CA ASP B 32 21.248 7.045 -0.790 1.00 10.00 C ATOM 1261 C ASP B 32 20.630 6.750 0.577 1.00 10.00 C ATOM 1262 O ASP B 32 21.063 5.861 1.283 1.00 10.00 O ATOM 1263 CB ASP B 32 21.869 8.439 -0.824 1.00 10.00 C ATOM 1264 CG ASP B 32 23.362 8.345 -0.501 1.00 10.00 C ATOM 1265 OD1 ASP B 32 23.732 7.450 0.241 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.108 9.168 -1.002 1.00 10.00 O ATOM 0 H ASP B 32 20.045 8.002 -2.262 1.00 10.00 H new ATOM 0 HA ASP B 32 21.987 6.263 -0.966 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.727 8.887 -1.807 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.371 9.087 -0.103 1.00 10.00 H new ATOM 1271 N PHE B 33 19.618 7.481 0.958 1.00 10.00 N ATOM 1272 CA PHE B 33 18.980 7.222 2.278 1.00 10.00 C ATOM 1273 C PHE B 33 18.475 5.780 2.336 1.00 10.00 C ATOM 1274 O PHE B 33 18.779 5.040 3.251 1.00 10.00 O ATOM 1275 CB PHE B 33 17.811 8.201 2.371 1.00 10.00 C ATOM 1276 CG PHE B 33 17.110 8.003 3.693 1.00 10.00 C ATOM 1277 CD1 PHE B 33 16.278 6.893 3.884 1.00 10.00 C ATOM 1278 CD2 PHE B 33 17.297 8.924 4.731 1.00 10.00 C ATOM 1279 CE1 PHE B 33 15.633 6.704 5.111 1.00 10.00 C ATOM 1280 CE2 PHE B 33 16.651 8.734 5.959 1.00 10.00 C ATOM 1281 CZ PHE B 33 15.819 7.623 6.149 1.00 10.00 C ATOM 0 H PHE B 33 19.208 8.241 0.416 1.00 10.00 H new ATOM 0 HA PHE B 33 19.679 7.356 3.104 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.171 9.226 2.285 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.116 8.037 1.548 1.00 10.00 H new ATOM 0 HD1 PHE B 33 16.134 6.182 3.084 1.00 10.00 H new ATOM 0 HD2 PHE B 33 17.939 9.780 4.585 1.00 10.00 H new ATOM 0 HE1 PHE B 33 14.991 5.848 5.257 1.00 10.00 H new ATOM 0 HE2 PHE B 33 16.794 9.444 6.760 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.322 7.476 7.096 1.00 10.00 H new ATOM 1291 N ALA B 34 17.709 5.373 1.361 1.00 10.00 N ATOM 1292 CA ALA B 34 17.190 3.977 1.355 1.00 10.00 C ATOM 1293 C ALA B 34 18.354 2.989 1.435 1.00 10.00 C ATOM 1294 O ALA B 34 18.220 1.892 1.943 1.00 10.00 O ATOM 1295 CB ALA B 34 16.463 3.830 0.018 1.00 10.00 C ATOM 0 H ALA B 34 17.420 5.947 0.569 1.00 10.00 H new ATOM 0 HA ALA B 34 16.534 3.775 2.202 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.050 2.824 -0.063 1.00 10.00 H new ATOM 0 HB2 ALA B 34 15.655 4.559 -0.039 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.165 4.001 -0.798 1.00 10.00 H new ATOM 1301 N VAL B 35 19.498 3.369 0.932 1.00 10.00 N ATOM 1302 CA VAL B 35 20.670 2.460 0.968 1.00 10.00 C ATOM 1303 C VAL B 35 21.429 2.632 2.288 1.00 10.00 C ATOM 1304 O VAL B 35 21.704 1.677 2.984 1.00 10.00 O ATOM 1305 CB VAL B 35 21.519 2.904 -0.224 1.00 10.00 C ATOM 1306 CG1 VAL B 35 22.990 2.592 0.034 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.055 2.163 -1.478 1.00 10.00 C ATOM 0 H VAL B 35 19.668 4.276 0.496 1.00 10.00 H new ATOM 0 HA VAL B 35 20.399 1.406 0.908 1.00 10.00 H new ATOM 0 HB VAL B 35 21.403 3.979 -0.365 1.00 10.00 H new ATOM 0 HG11 VAL B 35 23.585 2.912 -0.821 1.00 10.00 H new ATOM 0 HG12 VAL B 35 23.323 3.121 0.927 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.114 1.519 0.181 1.00 10.00 H new ATOM 0 HG21 VAL B 35 21.658 2.477 -2.330 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.169 1.089 -1.329 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.007 2.394 -1.670 1.00 10.00 H new ATOM 1317 N GLU B 36 21.769 3.843 2.639 1.00 10.00 N ATOM 1318 CA GLU B 36 22.508 4.069 3.914 1.00 10.00 C ATOM 1319 C GLU B 36 21.824 3.317 5.063 1.00 10.00 C ATOM 1320 O GLU B 36 22.474 2.765 5.927 1.00 10.00 O ATOM 1321 CB GLU B 36 22.459 5.587 4.131 1.00 10.00 C ATOM 1322 CG GLU B 36 21.929 5.905 5.533 1.00 10.00 C ATOM 1323 CD GLU B 36 22.332 7.330 5.920 1.00 10.00 C ATOM 1324 OE1 GLU B 36 22.052 8.233 5.149 1.00 10.00 O ATOM 1325 OE2 GLU B 36 22.913 7.493 6.980 1.00 10.00 O ATOM 0 H GLU B 36 21.567 4.684 2.099 1.00 10.00 H new ATOM 0 HA GLU B 36 23.534 3.703 3.877 1.00 10.00 H new ATOM 0 HB2 GLU B 36 23.455 6.012 4.006 1.00 10.00 H new ATOM 0 HB3 GLU B 36 21.819 6.049 3.379 1.00 10.00 H new ATOM 0 HG2 GLU B 36 20.844 5.804 5.555 1.00 10.00 H new ATOM 0 HG3 GLU B 36 22.330 5.194 6.255 1.00 10.00 H new ATOM 1332 N TYR B 37 20.520 3.295 5.079 1.00 10.00 N ATOM 1333 CA TYR B 37 19.804 2.581 6.176 1.00 10.00 C ATOM 1334 C TYR B 37 19.888 1.066 5.968 1.00 10.00 C ATOM 1335 O TYR B 37 20.435 0.348 6.782 1.00 10.00 O ATOM 1336 CB TYR B 37 18.354 3.054 6.079 1.00 10.00 C ATOM 1337 CG TYR B 37 17.470 2.135 6.888 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.860 1.745 8.175 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.263 1.669 6.351 1.00 10.00 C ATOM 1340 CE1 TYR B 37 17.043 0.891 8.926 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.446 0.816 7.102 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.836 0.426 8.390 1.00 10.00 C ATOM 1343 OH TYR B 37 15.031 -0.416 9.129 1.00 10.00 O ATOM 0 H TYR B 37 19.920 3.738 4.383 1.00 10.00 H new ATOM 0 HA TYR B 37 20.237 2.791 7.154 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.268 4.076 6.448 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.032 3.063 5.038 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.791 2.103 8.589 1.00 10.00 H new ATOM 0 HD2 TYR B 37 15.963 1.968 5.358 1.00 10.00 H new ATOM 0 HE1 TYR B 37 17.344 0.591 9.919 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.515 0.458 6.689 1.00 10.00 H new ATOM 0 HH TYR B 37 14.231 -0.643 8.610 1.00 10.00 H new ATOM 1353 N PHE B 38 19.348 0.574 4.887 1.00 10.00 N ATOM 1354 CA PHE B 38 19.395 -0.895 4.636 1.00 10.00 C ATOM 1355 C PHE B 38 20.847 -1.369 4.515 1.00 10.00 C ATOM 1356 O PHE B 38 21.246 -2.334 5.136 1.00 10.00 O ATOM 1357 CB PHE B 38 18.646 -1.097 3.319 1.00 10.00 C ATOM 1358 CG PHE B 38 17.160 -1.003 3.569 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.592 -1.665 4.666 1.00 10.00 C ATOM 1360 CD2 PHE B 38 16.349 -0.257 2.705 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.215 -1.578 4.898 1.00 10.00 C ATOM 1362 CE2 PHE B 38 14.971 -0.170 2.938 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.404 -0.832 4.035 1.00 10.00 C ATOM 0 H PHE B 38 18.877 1.124 4.168 1.00 10.00 H new ATOM 0 HA PHE B 38 18.947 -1.467 5.448 1.00 10.00 H new ATOM 0 HB2 PHE B 38 18.953 -0.343 2.594 1.00 10.00 H new ATOM 0 HB3 PHE B 38 18.894 -2.069 2.892 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.217 -2.242 5.332 1.00 10.00 H new ATOM 0 HD2 PHE B 38 16.786 0.251 1.859 1.00 10.00 H new ATOM 0 HE1 PHE B 38 14.777 -2.087 5.744 1.00 10.00 H new ATOM 0 HE2 PHE B 38 14.346 0.407 2.273 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.341 -0.767 4.215 1.00 10.00 H new ATOM 1373 N THR B 39 21.646 -0.698 3.728 1.00 10.00 N ATOM 1374 CA THR B 39 23.070 -1.120 3.585 1.00 10.00 C ATOM 1375 C THR B 39 23.712 -1.240 4.968 1.00 10.00 C ATOM 1376 O THR B 39 24.413 -2.189 5.259 1.00 10.00 O ATOM 1377 CB THR B 39 23.744 -0.010 2.774 1.00 10.00 C ATOM 1378 OG1 THR B 39 23.219 0.001 1.454 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.252 -0.258 2.722 1.00 10.00 C ATOM 0 H THR B 39 21.376 0.119 3.181 1.00 10.00 H new ATOM 0 HA THR B 39 23.168 -2.089 3.095 1.00 10.00 H new ATOM 0 HB THR B 39 23.551 0.952 3.248 1.00 10.00 H new ATOM 0 HG1 THR B 39 22.366 0.484 1.445 1.00 10.00 H new ATOM 0 HG21 THR B 39 25.731 0.533 2.144 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.655 -0.263 3.735 1.00 10.00 H new ATOM 0 HG23 THR B 39 25.446 -1.221 2.250 1.00 10.00 H new ATOM 1387 N ARG B 40 23.471 -0.286 5.825 1.00 10.00 N ATOM 1388 CA ARG B 40 24.060 -0.348 7.193 1.00 10.00 C ATOM 1389 C ARG B 40 23.510 -1.566 7.938 1.00 10.00 C ATOM 1390 O ARG B 40 24.147 -2.107 8.822 1.00 10.00 O ATOM 1391 CB ARG B 40 23.613 0.946 7.877 1.00 10.00 C ATOM 1392 CG ARG B 40 24.684 2.021 7.684 1.00 10.00 C ATOM 1393 CD ARG B 40 24.386 3.208 8.604 1.00 10.00 C ATOM 1394 NE ARG B 40 25.683 3.517 9.265 1.00 10.00 N ATOM 1395 CZ ARG B 40 26.032 2.879 10.349 1.00 10.00 C ATOM 1396 NH1 ARG B 40 25.672 1.636 10.520 1.00 10.00 N ATOM 1397 NH2 ARG B 40 26.739 3.484 11.263 1.00 10.00 N ATOM 0 H ARG B 40 22.892 0.533 5.638 1.00 10.00 H new ATOM 0 HA ARG B 40 25.146 -0.442 7.176 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.665 1.283 7.458 1.00 10.00 H new ATOM 0 HB3 ARG B 40 23.447 0.770 8.940 1.00 10.00 H new ATOM 0 HG2 ARG B 40 25.669 1.612 7.907 1.00 10.00 H new ATOM 0 HG3 ARG B 40 24.703 2.348 6.645 1.00 10.00 H new ATOM 0 HD2 ARG B 40 24.018 4.064 8.038 1.00 10.00 H new ATOM 0 HD3 ARG B 40 23.619 2.957 9.337 1.00 10.00 H new ATOM 0 HE ARG B 40 26.300 4.228 8.871 1.00 10.00 H new ATOM 0 HH11 ARG B 40 25.118 1.163 9.806 1.00 10.00 H new ATOM 0 HH12 ARG B 40 25.945 1.138 11.367 1.00 10.00 H new ATOM 0 HH21 ARG B 40 27.019 4.456 11.131 1.00 10.00 H new ATOM 0 HH22 ARG B 40 27.012 2.985 12.110 1.00 10.00 H new ATOM 1411 N LEU B 41 22.333 -2.004 7.584 1.00 10.00 N ATOM 1412 CA LEU B 41 21.738 -3.190 8.265 1.00 10.00 C ATOM 1413 C LEU B 41 22.515 -4.454 7.888 1.00 10.00 C ATOM 1414 O LEU B 41 22.694 -5.347 8.692 1.00 10.00 O ATOM 1415 CB LEU B 41 20.301 -3.263 7.745 1.00 10.00 C ATOM 1416 CG LEU B 41 19.471 -4.169 8.657 1.00 10.00 C ATOM 1417 CD1 LEU B 41 19.668 -3.749 10.116 1.00 10.00 C ATOM 1418 CD2 LEU B 41 17.992 -4.040 8.287 1.00 10.00 C ATOM 0 H LEU B 41 21.756 -1.591 6.851 1.00 10.00 H new ATOM 0 HA LEU B 41 21.772 -3.109 9.351 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.864 -2.265 7.712 1.00 10.00 H new ATOM 0 HB3 LEU B 41 20.291 -3.649 6.726 1.00 10.00 H new ATOM 0 HG LEU B 41 19.792 -5.203 8.532 1.00 10.00 H new ATOM 0 HD11 LEU B 41 19.076 -4.395 10.764 1.00 10.00 H new ATOM 0 HD12 LEU B 41 20.722 -3.837 10.381 1.00 10.00 H new ATOM 0 HD13 LEU B 41 19.347 -2.715 10.244 1.00 10.00 H new ATOM 0 HD21 LEU B 41 17.397 -4.684 8.935 1.00 10.00 H new ATOM 0 HD22 LEU B 41 17.674 -3.005 8.414 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.849 -4.339 7.248 1.00 10.00 H new ATOM 1430 N ARG B 42 22.981 -4.533 6.672 1.00 10.00 N ATOM 1431 CA ARG B 42 23.750 -5.736 6.247 1.00 10.00 C ATOM 1432 C ARG B 42 24.889 -6.007 7.234 1.00 10.00 C ATOM 1433 O ARG B 42 25.265 -7.138 7.470 1.00 10.00 O ATOM 1434 CB ARG B 42 24.309 -5.385 4.868 1.00 10.00 C ATOM 1435 CG ARG B 42 23.447 -6.039 3.787 1.00 10.00 C ATOM 1436 CD ARG B 42 24.241 -7.154 3.107 1.00 10.00 C ATOM 1437 NE ARG B 42 24.837 -6.518 1.900 1.00 10.00 N ATOM 1438 CZ ARG B 42 26.105 -6.674 1.636 1.00 10.00 C ATOM 1439 NH1 ARG B 42 26.972 -6.734 2.611 1.00 10.00 N ATOM 1440 NH2 ARG B 42 26.507 -6.767 0.400 1.00 10.00 N ATOM 0 H ARG B 42 22.863 -3.817 5.955 1.00 10.00 H new ATOM 0 HA ARG B 42 23.131 -6.633 6.218 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.321 -4.303 4.733 1.00 10.00 H new ATOM 0 HB3 ARG B 42 25.340 -5.729 4.783 1.00 10.00 H new ATOM 0 HG2 ARG B 42 22.536 -6.444 4.229 1.00 10.00 H new ATOM 0 HG3 ARG B 42 23.141 -5.295 3.051 1.00 10.00 H new ATOM 0 HD2 ARG B 42 25.013 -7.549 3.768 1.00 10.00 H new ATOM 0 HD3 ARG B 42 23.596 -7.990 2.836 1.00 10.00 H new ATOM 0 HE ARG B 42 24.253 -5.959 1.278 1.00 10.00 H new ATOM 0 HH11 ARG B 42 26.658 -6.659 3.578 1.00 10.00 H new ATOM 0 HH12 ARG B 42 27.964 -6.856 2.405 1.00 10.00 H new ATOM 0 HH21 ARG B 42 25.830 -6.718 -0.361 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.499 -6.889 0.194 1.00 10.00 H new ATOM 1454 N GLU B 43 25.441 -4.974 7.815 1.00 10.00 N ATOM 1455 CA GLU B 43 26.553 -5.172 8.787 1.00 10.00 C ATOM 1456 C GLU B 43 25.992 -5.605 10.144 1.00 10.00 C ATOM 1457 O GLU B 43 26.570 -6.416 10.838 1.00 10.00 O ATOM 1458 CB GLU B 43 27.242 -3.803 8.881 1.00 10.00 C ATOM 1459 CG GLU B 43 27.244 -3.310 10.331 1.00 10.00 C ATOM 1460 CD GLU B 43 28.020 -1.994 10.424 1.00 10.00 C ATOM 1461 OE1 GLU B 43 28.637 -1.623 9.438 1.00 10.00 O ATOM 1462 OE2 GLU B 43 27.981 -1.381 11.477 1.00 10.00 O ATOM 0 H GLU B 43 25.169 -4.004 7.658 1.00 10.00 H new ATOM 0 HA GLU B 43 27.250 -5.951 8.477 1.00 10.00 H new ATOM 0 HB2 GLU B 43 28.265 -3.877 8.513 1.00 10.00 H new ATOM 0 HB3 GLU B 43 26.726 -3.084 8.245 1.00 10.00 H new ATOM 0 HG2 GLU B 43 26.221 -3.166 10.678 1.00 10.00 H new ATOM 0 HG3 GLU B 43 27.699 -4.059 10.980 1.00 10.00 H new ATOM 1469 N ALA B 44 24.868 -5.068 10.521 1.00 10.00 N ATOM 1470 CA ALA B 44 24.261 -5.446 11.832 1.00 10.00 C ATOM 1471 C ALA B 44 24.358 -6.949 12.047 1.00 10.00 C ATOM 1472 O ALA B 44 25.092 -7.426 12.890 1.00 10.00 O ATOM 1473 CB ALA B 44 22.790 -5.063 11.721 1.00 10.00 C ATOM 0 H ALA B 44 24.340 -4.383 9.980 1.00 10.00 H new ATOM 0 HA ALA B 44 24.768 -4.951 12.661 1.00 10.00 H new ATOM 0 HB1 ALA B 44 22.278 -5.312 12.650 1.00 10.00 H new ATOM 0 HB2 ALA B 44 22.706 -3.992 11.536 1.00 10.00 H new ATOM 0 HB3 ALA B 44 22.333 -5.610 10.897 1.00 10.00 H new ATOM 1479 N ARG B 45 23.593 -7.690 11.298 1.00 10.00 N ATOM 1480 CA ARG B 45 23.593 -9.165 11.450 1.00 10.00 C ATOM 1481 C ARG B 45 24.991 -9.671 11.819 1.00 10.00 C ATOM 1482 O ARG B 45 25.991 -9.126 11.395 1.00 10.00 O ATOM 1483 CB ARG B 45 23.170 -9.705 10.084 1.00 10.00 C ATOM 1484 CG ARG B 45 21.814 -10.402 10.205 1.00 10.00 C ATOM 1485 CD ARG B 45 20.695 -9.393 9.938 1.00 10.00 C ATOM 1486 NE ARG B 45 20.497 -9.422 8.464 1.00 10.00 N ATOM 1487 CZ ARG B 45 21.203 -8.640 7.694 1.00 10.00 C ATOM 1488 NH1 ARG B 45 20.873 -7.384 7.562 1.00 10.00 N ATOM 1489 NH2 ARG B 45 22.240 -9.113 7.059 1.00 10.00 N ATOM 0 H ARG B 45 22.963 -7.331 10.581 1.00 10.00 H new ATOM 0 HA ARG B 45 22.923 -9.493 12.245 1.00 10.00 H new ATOM 0 HB2 ARG B 45 23.108 -8.890 9.363 1.00 10.00 H new ATOM 0 HB3 ARG B 45 23.918 -10.405 9.711 1.00 10.00 H new ATOM 0 HG2 ARG B 45 21.752 -11.226 9.494 1.00 10.00 H new ATOM 0 HG3 ARG B 45 21.701 -10.831 11.201 1.00 10.00 H new ATOM 0 HD2 ARG B 45 19.781 -9.668 10.465 1.00 10.00 H new ATOM 0 HD3 ARG B 45 20.972 -8.396 10.280 1.00 10.00 H new ATOM 0 HE ARG B 45 19.809 -10.054 8.055 1.00 10.00 H new ATOM 0 HH11 ARG B 45 20.064 -7.014 8.061 1.00 10.00 H new ATOM 0 HH12 ARG B 45 21.425 -6.772 6.960 1.00 10.00 H new ATOM 0 HH21 ARG B 45 22.499 -10.094 7.164 1.00 10.00 H new ATOM 0 HH22 ARG B 45 22.792 -8.502 6.457 1.00 10.00 H new ATOM 1503 N ARG B 46 25.069 -10.708 12.607 1.00 10.00 N ATOM 1504 CA ARG B 46 26.403 -11.245 13.002 1.00 10.00 C ATOM 1505 C ARG B 46 27.143 -10.229 13.875 1.00 10.00 C ATOM 1506 O ARG B 46 26.725 -9.083 13.900 1.00 10.00 O ATOM 1507 CB ARG B 46 27.148 -11.464 11.684 1.00 10.00 C ATOM 1508 CG ARG B 46 28.254 -12.502 11.891 1.00 10.00 C ATOM 1509 CD ARG B 46 28.043 -13.672 10.927 1.00 10.00 C ATOM 1510 NE ARG B 46 29.233 -14.546 11.121 1.00 10.00 N ATOM 1511 CZ ARG B 46 29.083 -15.764 11.567 1.00 10.00 C ATOM 1512 NH1 ARG B 46 28.546 -16.677 10.804 1.00 10.00 N ATOM 1513 NH2 ARG B 46 29.471 -16.069 12.775 1.00 10.00 N ATOM 1514 OXT ARG B 46 28.116 -10.613 14.504 1.00 10.00 O ATOM 0 H ARG B 46 24.268 -11.207 12.994 1.00 10.00 H new ATOM 0 HA ARG B 46 26.324 -12.164 13.582 1.00 10.00 H new ATOM 0 HB2 ARG B 46 26.455 -11.803 10.914 1.00 10.00 H new ATOM 0 HB3 ARG B 46 27.577 -10.524 11.335 1.00 10.00 H new ATOM 0 HG2 ARG B 46 29.230 -12.048 11.720 1.00 10.00 H new ATOM 0 HG3 ARG B 46 28.244 -12.859 12.921 1.00 10.00 H new ATOM 0 HD2 ARG B 46 27.120 -14.206 11.150 1.00 10.00 H new ATOM 0 HD3 ARG B 46 27.970 -13.326 9.896 1.00 10.00 H new ATOM 0 HE ARG B 46 30.165 -14.193 10.905 1.00 10.00 H new ATOM 0 HH11 ARG B 46 28.244 -16.439 9.859 1.00 10.00 H new ATOM 0 HH12 ARG B 46 28.429 -17.628 11.152 1.00 10.00 H new ATOM 0 HH21 ARG B 46 29.891 -15.356 13.371 1.00 10.00 H new ATOM 0 HH22 ARG B 46 29.354 -17.020 13.123 1.00 10.00 H new TER 1528 ARG B 46