USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 1 HIS N :NH3+ -174:sc= -0.0982 (180deg=-0.194) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -1.1! C(o=-1.1!,f=-1.6!) USER MOD Single : A 6 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.82) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0355 K(o=-0.035,f=-1) USER MOD Single : A 18 TYR OH : rot -58:sc= -10.9! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -3.93! C(o=-5!,f=-3.9!) USER MOD Single : A 26 GLN : amide:sc= -0.417 K(o=-0.42,f=-3.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -160:sc= -2.81! USER MOD Single : B 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : B 1 HIS N :NH3+ -174:sc= -0.0869 (180deg=-0.181) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc= -1.11! C(o=-1.1!,f=-1.6!) USER MOD Single : B 6 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.44) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.0318 K(o=-0.032,f=-1) USER MOD Single : B 18 TYR OH : rot -60:sc= -10.8! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN :FLIP amide:sc= -3.97! C(o=-4.9!,f=-4!) USER MOD Single : B 26 GLN : amide:sc= -0.377 K(o=-0.38,f=-3.4!) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot -160:sc= -3! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -3.404 3.207 2.505 1.00 10.00 N ATOM 2 CA HIS A 1 -4.737 3.504 3.105 1.00 10.00 C ATOM 3 C HIS A 1 -5.267 4.840 2.579 1.00 10.00 C ATOM 4 O HIS A 1 -6.429 5.160 2.732 1.00 10.00 O ATOM 5 CB HIS A 1 -4.485 3.582 4.611 1.00 10.00 C ATOM 6 CG HIS A 1 -5.063 2.365 5.280 1.00 10.00 C ATOM 7 ND1 HIS A 1 -4.646 1.081 4.968 1.00 10.00 N ATOM 8 CD2 HIS A 1 -6.028 2.222 6.247 1.00 10.00 C ATOM 9 CE1 HIS A 1 -5.352 0.228 5.733 1.00 10.00 C ATOM 10 NE2 HIS A 1 -6.208 0.872 6.531 1.00 10.00 N ATOM 0 H1 HIS A 1 -3.100 2.254 2.789 1.00 10.00 H new ATOM 0 H2 HIS A 1 -3.472 3.255 1.468 1.00 10.00 H new ATOM 0 H3 HIS A 1 -2.710 3.905 2.839 1.00 10.00 H new ATOM 0 HA HIS A 1 -5.481 2.747 2.855 1.00 10.00 H new ATOM 0 HB2 HIS A 1 -3.415 3.645 4.809 1.00 10.00 H new ATOM 0 HB3 HIS A 1 -4.938 4.485 5.020 1.00 10.00 H new ATOM 0 HD2 HIS A 1 -6.565 3.034 6.715 1.00 10.00 H new ATOM 0 HE1 HIS A 1 -5.240 -0.846 5.705 1.00 10.00 H new ATOM 0 HE2 HIS A 1 -6.855 0.462 7.204 1.00 10.00 H new ATOM 20 N MET A 2 -4.424 5.621 1.961 1.00 10.00 N ATOM 21 CA MET A 2 -4.878 6.938 1.426 1.00 10.00 C ATOM 22 C MET A 2 -5.701 7.683 2.480 1.00 10.00 C ATOM 23 O MET A 2 -6.879 7.440 2.648 1.00 10.00 O ATOM 24 CB MET A 2 -5.746 6.595 0.215 1.00 10.00 C ATOM 25 CG MET A 2 -5.009 6.986 -1.066 1.00 10.00 C ATOM 26 SD MET A 2 -6.149 6.896 -2.468 1.00 10.00 S ATOM 27 CE MET A 2 -4.964 6.262 -3.682 1.00 10.00 C ATOM 0 H MET A 2 -3.440 5.405 1.803 1.00 10.00 H new ATOM 0 HA MET A 2 -4.042 7.585 1.160 1.00 10.00 H new ATOM 0 HB2 MET A 2 -5.972 5.529 0.206 1.00 10.00 H new ATOM 0 HB3 MET A 2 -6.698 7.122 0.275 1.00 10.00 H new ATOM 0 HG2 MET A 2 -4.608 7.995 -0.974 1.00 10.00 H new ATOM 0 HG3 MET A 2 -4.162 6.320 -1.229 1.00 10.00 H new ATOM 0 HE1 MET A 2 -5.463 6.128 -4.642 1.00 10.00 H new ATOM 0 HE2 MET A 2 -4.144 6.971 -3.795 1.00 10.00 H new ATOM 0 HE3 MET A 2 -4.571 5.304 -3.341 1.00 10.00 H new ATOM 37 N GLY A 3 -5.090 8.590 3.193 1.00 10.00 N ATOM 38 CA GLY A 3 -5.836 9.349 4.235 1.00 10.00 C ATOM 39 C GLY A 3 -5.004 9.411 5.516 1.00 10.00 C ATOM 40 O GLY A 3 -5.374 10.054 6.479 1.00 10.00 O ATOM 0 H GLY A 3 -4.105 8.838 3.098 1.00 10.00 H new ATOM 0 HA2 GLY A 3 -6.053 10.357 3.881 1.00 10.00 H new ATOM 0 HA3 GLY A 3 -6.794 8.868 4.434 1.00 10.00 H new ATOM 44 N HIS A 4 -3.879 8.747 5.537 1.00 10.00 N ATOM 45 CA HIS A 4 -3.022 8.769 6.757 1.00 10.00 C ATOM 46 C HIS A 4 -1.550 8.605 6.368 1.00 10.00 C ATOM 47 O HIS A 4 -0.750 8.094 7.128 1.00 10.00 O ATOM 48 CB HIS A 4 -3.491 7.576 7.593 1.00 10.00 C ATOM 49 CG HIS A 4 -2.592 7.416 8.789 1.00 10.00 C ATOM 50 ND1 HIS A 4 -2.129 8.500 9.518 1.00 10.00 N ATOM 51 CD2 HIS A 4 -2.063 6.303 9.396 1.00 10.00 C ATOM 52 CE1 HIS A 4 -1.358 8.022 10.512 1.00 10.00 C ATOM 53 NE2 HIS A 4 -1.284 6.688 10.483 1.00 10.00 N ATOM 0 H HIS A 4 -3.517 8.191 4.762 1.00 10.00 H new ATOM 0 HA HIS A 4 -3.105 9.708 7.305 1.00 10.00 H new ATOM 0 HB2 HIS A 4 -4.521 7.728 7.917 1.00 10.00 H new ATOM 0 HB3 HIS A 4 -3.477 6.668 6.990 1.00 10.00 H new ATOM 0 HD2 HIS A 4 -2.227 5.284 9.078 1.00 10.00 H new ATOM 0 HE1 HIS A 4 -0.860 8.641 11.244 1.00 10.00 H new ATOM 0 HE2 HIS A 4 -0.767 6.082 11.121 1.00 10.00 H new ATOM 61 N ILE A 5 -1.186 9.035 5.191 1.00 10.00 N ATOM 62 CA ILE A 5 0.234 8.903 4.754 1.00 10.00 C ATOM 63 C ILE A 5 0.900 10.282 4.696 1.00 10.00 C ATOM 64 O ILE A 5 0.278 11.293 4.954 1.00 10.00 O ATOM 65 CB ILE A 5 0.166 8.281 3.357 1.00 10.00 C ATOM 66 CG1 ILE A 5 -0.892 7.174 3.342 1.00 10.00 C ATOM 67 CG2 ILE A 5 1.528 7.685 2.998 1.00 10.00 C ATOM 68 CD1 ILE A 5 -0.585 6.160 4.443 1.00 10.00 C ATOM 0 H ILE A 5 -1.810 9.472 4.513 1.00 10.00 H new ATOM 0 HA ILE A 5 0.821 8.294 5.441 1.00 10.00 H new ATOM 0 HB ILE A 5 -0.099 9.049 2.630 1.00 10.00 H new ATOM 0 HG12 ILE A 5 -1.883 7.602 3.493 1.00 10.00 H new ATOM 0 HG13 ILE A 5 -0.903 6.680 2.371 1.00 10.00 H new ATOM 0 HG21 ILE A 5 1.480 7.242 2.003 1.00 10.00 H new ATOM 0 HG22 ILE A 5 2.283 8.471 3.009 1.00 10.00 H new ATOM 0 HG23 ILE A 5 1.792 6.917 3.725 1.00 10.00 H new ATOM 0 HD11 ILE A 5 -1.338 5.372 4.432 1.00 10.00 H new ATOM 0 HD12 ILE A 5 0.399 5.724 4.272 1.00 10.00 H new ATOM 0 HD13 ILE A 5 -0.597 6.660 5.412 1.00 10.00 H new ATOM 80 N GLN A 6 2.160 10.330 4.358 1.00 10.00 N ATOM 81 CA GLN A 6 2.861 11.645 4.284 1.00 10.00 C ATOM 82 C GLN A 6 3.169 12.000 2.828 1.00 10.00 C ATOM 83 O GLN A 6 2.513 11.536 1.915 1.00 10.00 O ATOM 84 CB GLN A 6 4.154 11.453 5.077 1.00 10.00 C ATOM 85 CG GLN A 6 4.100 12.292 6.356 1.00 10.00 C ATOM 86 CD GLN A 6 4.120 11.367 7.575 1.00 10.00 C ATOM 87 OE1 GLN A 6 3.166 10.658 7.830 1.00 10.00 O ATOM 88 NE2 GLN A 6 5.175 11.344 8.344 1.00 10.00 N ATOM 0 H GLN A 6 2.734 9.518 4.130 1.00 10.00 H new ATOM 0 HA GLN A 6 2.256 12.458 4.686 1.00 10.00 H new ATOM 0 HB2 GLN A 6 4.287 10.400 5.326 1.00 10.00 H new ATOM 0 HB3 GLN A 6 5.011 11.748 4.472 1.00 10.00 H new ATOM 0 HG2 GLN A 6 4.948 12.976 6.391 1.00 10.00 H new ATOM 0 HG3 GLN A 6 3.197 12.903 6.365 1.00 10.00 H new ATOM 0 HE21 GLN A 6 5.975 11.939 8.130 1.00 10.00 H new ATOM 0 HE22 GLN A 6 5.199 10.731 9.159 1.00 10.00 H new ATOM 97 N ILE A 7 4.159 12.821 2.600 1.00 10.00 N ATOM 98 CA ILE A 7 4.503 13.203 1.200 1.00 10.00 C ATOM 99 C ILE A 7 5.797 12.510 0.763 1.00 10.00 C ATOM 100 O ILE A 7 6.842 13.125 0.704 1.00 10.00 O ATOM 101 CB ILE A 7 4.691 14.718 1.237 1.00 10.00 C ATOM 102 CG1 ILE A 7 3.442 15.372 1.833 1.00 10.00 C ATOM 103 CG2 ILE A 7 4.909 15.241 -0.184 1.00 10.00 C ATOM 104 CD1 ILE A 7 2.211 14.950 1.030 1.00 10.00 C ATOM 0 H ILE A 7 4.744 13.243 3.322 1.00 10.00 H new ATOM 0 HA ILE A 7 3.731 12.906 0.490 1.00 10.00 H new ATOM 0 HB ILE A 7 5.558 14.961 1.851 1.00 10.00 H new ATOM 0 HG12 ILE A 7 3.327 15.077 2.876 1.00 10.00 H new ATOM 0 HG13 ILE A 7 3.545 16.457 1.818 1.00 10.00 H new ATOM 0 HG21 ILE A 7 5.043 16.322 -0.157 1.00 10.00 H new ATOM 0 HG22 ILE A 7 5.798 14.776 -0.611 1.00 10.00 H new ATOM 0 HG23 ILE A 7 4.042 14.998 -0.798 1.00 10.00 H new ATOM 0 HD11 ILE A 7 1.322 15.416 1.455 1.00 10.00 H new ATOM 0 HD12 ILE A 7 2.327 15.267 -0.007 1.00 10.00 H new ATOM 0 HD13 ILE A 7 2.106 13.866 1.068 1.00 10.00 H new ATOM 116 N PRO A 8 5.674 11.245 0.467 1.00 10.00 N ATOM 117 CA PRO A 8 6.844 10.444 0.025 1.00 10.00 C ATOM 118 C PRO A 8 7.286 10.867 -1.380 1.00 10.00 C ATOM 119 O PRO A 8 6.545 10.728 -2.333 1.00 10.00 O ATOM 120 CB PRO A 8 6.320 9.016 0.028 1.00 10.00 C ATOM 121 CG PRO A 8 4.846 9.153 -0.137 1.00 10.00 C ATOM 122 CD PRO A 8 4.448 10.448 0.516 1.00 10.00 C ATOM 0 HA PRO A 8 7.718 10.572 0.664 1.00 10.00 H new ATOM 0 HB2 PRO A 8 6.757 8.432 -0.783 1.00 10.00 H new ATOM 0 HB3 PRO A 8 6.568 8.505 0.958 1.00 10.00 H new ATOM 0 HG2 PRO A 8 4.575 9.154 -1.193 1.00 10.00 H new ATOM 0 HG3 PRO A 8 4.327 8.313 0.324 1.00 10.00 H new ATOM 0 HD2 PRO A 8 3.632 10.933 -0.019 1.00 10.00 H new ATOM 0 HD3 PRO A 8 4.110 10.294 1.541 1.00 10.00 H new ATOM 130 N PRO A 9 8.483 11.385 -1.456 1.00 10.00 N ATOM 131 CA PRO A 9 9.031 11.852 -2.753 1.00 10.00 C ATOM 132 C PRO A 9 9.498 10.681 -3.619 1.00 10.00 C ATOM 133 O PRO A 9 10.381 9.931 -3.250 1.00 10.00 O ATOM 134 CB PRO A 9 10.213 12.726 -2.346 1.00 10.00 C ATOM 135 CG PRO A 9 10.633 12.217 -1.001 1.00 10.00 C ATOM 136 CD PRO A 9 9.426 11.587 -0.352 1.00 10.00 C ATOM 0 HA PRO A 9 8.290 12.381 -3.352 1.00 10.00 H new ATOM 0 HB2 PRO A 9 11.026 12.649 -3.068 1.00 10.00 H new ATOM 0 HB3 PRO A 9 9.928 13.777 -2.298 1.00 10.00 H new ATOM 0 HG2 PRO A 9 11.437 11.488 -1.102 1.00 10.00 H new ATOM 0 HG3 PRO A 9 11.016 13.032 -0.386 1.00 10.00 H new ATOM 0 HD2 PRO A 9 9.681 10.643 0.130 1.00 10.00 H new ATOM 0 HD3 PRO A 9 9.005 12.235 0.417 1.00 10.00 H new ATOM 144 N GLY A 10 8.911 10.530 -4.776 1.00 10.00 N ATOM 145 CA GLY A 10 9.313 9.420 -5.685 1.00 10.00 C ATOM 146 C GLY A 10 9.498 8.135 -4.881 1.00 10.00 C ATOM 147 O GLY A 10 10.133 7.200 -5.329 1.00 10.00 O ATOM 0 H GLY A 10 8.167 11.131 -5.131 1.00 10.00 H new ATOM 0 HA2 GLY A 10 8.553 9.273 -6.453 1.00 10.00 H new ATOM 0 HA3 GLY A 10 10.240 9.675 -6.198 1.00 10.00 H new ATOM 151 N LEU A 11 8.950 8.073 -3.700 1.00 10.00 N ATOM 152 CA LEU A 11 9.103 6.837 -2.881 1.00 10.00 C ATOM 153 C LEU A 11 8.256 5.708 -3.470 1.00 10.00 C ATOM 154 O LEU A 11 8.721 4.601 -3.658 1.00 10.00 O ATOM 155 CB LEU A 11 8.593 7.214 -1.492 1.00 10.00 C ATOM 156 CG LEU A 11 8.731 6.016 -0.554 1.00 10.00 C ATOM 157 CD1 LEU A 11 9.977 6.189 0.318 1.00 10.00 C ATOM 158 CD2 LEU A 11 7.492 5.926 0.338 1.00 10.00 C ATOM 0 H LEU A 11 8.406 8.819 -3.268 1.00 10.00 H new ATOM 0 HA LEU A 11 10.134 6.485 -2.855 1.00 10.00 H new ATOM 0 HB2 LEU A 11 9.159 8.061 -1.103 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.550 7.526 -1.549 1.00 10.00 H new ATOM 0 HG LEU A 11 8.825 5.103 -1.141 1.00 10.00 H new ATOM 0 HD11 LEU A 11 10.075 5.334 0.987 1.00 10.00 H new ATOM 0 HD12 LEU A 11 10.860 6.255 -0.318 1.00 10.00 H new ATOM 0 HD13 LEU A 11 9.885 7.102 0.907 1.00 10.00 H new ATOM 0 HD21 LEU A 11 7.588 5.072 1.008 1.00 10.00 H new ATOM 0 HD22 LEU A 11 7.399 6.840 0.925 1.00 10.00 H new ATOM 0 HD23 LEU A 11 6.605 5.802 -0.283 1.00 10.00 H new ATOM 170 N THR A 12 7.014 5.980 -3.761 1.00 10.00 N ATOM 171 CA THR A 12 6.135 4.923 -4.337 1.00 10.00 C ATOM 172 C THR A 12 6.771 4.344 -5.604 1.00 10.00 C ATOM 173 O THR A 12 6.526 3.213 -5.969 1.00 10.00 O ATOM 174 CB THR A 12 4.821 5.638 -4.664 1.00 10.00 C ATOM 175 OG1 THR A 12 4.000 5.662 -3.505 1.00 10.00 O ATOM 176 CG2 THR A 12 4.094 4.899 -5.790 1.00 10.00 C ATOM 0 H THR A 12 6.570 6.888 -3.625 1.00 10.00 H new ATOM 0 HA THR A 12 5.981 4.089 -3.653 1.00 10.00 H new ATOM 0 HB THR A 12 5.034 6.658 -4.985 1.00 10.00 H new ATOM 0 HG1 THR A 12 3.158 6.120 -3.710 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.160 5.412 -6.018 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.724 4.880 -6.679 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.879 3.878 -5.476 1.00 10.00 H new ATOM 184 N GLU A 13 7.583 5.111 -6.277 1.00 10.00 N ATOM 185 CA GLU A 13 8.230 4.602 -7.521 1.00 10.00 C ATOM 186 C GLU A 13 9.321 3.585 -7.176 1.00 10.00 C ATOM 187 O GLU A 13 9.223 2.418 -7.501 1.00 10.00 O ATOM 188 CB GLU A 13 8.841 5.835 -8.185 1.00 10.00 C ATOM 189 CG GLU A 13 7.884 6.362 -9.257 1.00 10.00 C ATOM 190 CD GLU A 13 8.269 7.794 -9.630 1.00 10.00 C ATOM 191 OE1 GLU A 13 9.454 8.086 -9.639 1.00 10.00 O ATOM 192 OE2 GLU A 13 7.372 8.576 -9.900 1.00 10.00 O ATOM 0 H GLU A 13 7.827 6.068 -6.021 1.00 10.00 H new ATOM 0 HA GLU A 13 7.520 4.096 -8.175 1.00 10.00 H new ATOM 0 HB2 GLU A 13 9.030 6.607 -7.439 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.802 5.582 -8.633 1.00 10.00 H new ATOM 0 HG2 GLU A 13 7.923 5.723 -10.139 1.00 10.00 H new ATOM 0 HG3 GLU A 13 6.859 6.335 -8.888 1.00 10.00 H new ATOM 199 N LEU A 14 10.361 4.020 -6.522 1.00 10.00 N ATOM 200 CA LEU A 14 11.461 3.082 -6.158 1.00 10.00 C ATOM 201 C LEU A 14 10.902 1.877 -5.396 1.00 10.00 C ATOM 202 O LEU A 14 11.337 0.756 -5.583 1.00 10.00 O ATOM 203 CB LEU A 14 12.393 3.901 -5.267 1.00 10.00 C ATOM 204 CG LEU A 14 13.665 4.258 -6.040 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.296 4.818 -7.417 1.00 10.00 C ATOM 206 CD2 LEU A 14 14.452 5.312 -5.261 1.00 10.00 C ATOM 0 H LEU A 14 10.498 4.986 -6.223 1.00 10.00 H new ATOM 0 HA LEU A 14 11.976 2.686 -7.033 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.890 4.810 -4.936 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.647 3.334 -4.372 1.00 10.00 H new ATOM 0 HG LEU A 14 14.273 3.362 -6.166 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.205 5.070 -7.963 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.734 4.070 -7.975 1.00 10.00 H new ATOM 0 HD13 LEU A 14 12.686 5.713 -7.294 1.00 10.00 H new ATOM 0 HD21 LEU A 14 15.359 5.568 -5.809 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.839 6.205 -5.136 1.00 10.00 H new ATOM 0 HD23 LEU A 14 14.720 4.916 -4.282 1.00 10.00 H new ATOM 218 N LEU A 15 9.943 2.095 -4.539 1.00 10.00 N ATOM 219 CA LEU A 15 9.361 0.957 -3.769 1.00 10.00 C ATOM 220 C LEU A 15 8.622 0.006 -4.713 1.00 10.00 C ATOM 221 O LEU A 15 8.872 -1.183 -4.728 1.00 10.00 O ATOM 222 CB LEU A 15 8.389 1.600 -2.779 1.00 10.00 C ATOM 223 CG LEU A 15 8.883 1.357 -1.353 1.00 10.00 C ATOM 224 CD1 LEU A 15 10.273 1.973 -1.182 1.00 10.00 C ATOM 225 CD2 LEU A 15 7.914 2.002 -0.360 1.00 10.00 C ATOM 0 H LEU A 15 9.537 3.009 -4.338 1.00 10.00 H new ATOM 0 HA LEU A 15 10.124 0.368 -3.260 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.311 2.670 -2.971 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.391 1.180 -2.907 1.00 10.00 H new ATOM 0 HG LEU A 15 8.935 0.285 -1.165 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.625 1.800 -0.165 1.00 10.00 H new ATOM 0 HD12 LEU A 15 10.964 1.513 -1.889 1.00 10.00 H new ATOM 0 HD13 LEU A 15 10.221 3.045 -1.370 1.00 10.00 H new ATOM 0 HD21 LEU A 15 8.266 1.829 0.657 1.00 10.00 H new ATOM 0 HD22 LEU A 15 7.861 3.074 -0.548 1.00 10.00 H new ATOM 0 HD23 LEU A 15 6.924 1.563 -0.481 1.00 10.00 H new ATOM 237 N GLN A 16 7.719 0.516 -5.506 1.00 10.00 N ATOM 238 CA GLN A 16 6.976 -0.370 -6.449 1.00 10.00 C ATOM 239 C GLN A 16 7.948 -1.346 -7.111 1.00 10.00 C ATOM 240 O GLN A 16 7.714 -2.538 -7.155 1.00 10.00 O ATOM 241 CB GLN A 16 6.368 0.567 -7.492 1.00 10.00 C ATOM 242 CG GLN A 16 4.879 0.254 -7.649 1.00 10.00 C ATOM 243 CD GLN A 16 4.357 0.889 -8.939 1.00 10.00 C ATOM 244 OE1 GLN A 16 5.021 0.863 -9.955 1.00 10.00 O ATOM 245 NE2 GLN A 16 3.185 1.464 -8.940 1.00 10.00 N ATOM 0 H GLN A 16 7.464 1.503 -5.542 1.00 10.00 H new ATOM 0 HA GLN A 16 6.211 -0.961 -5.946 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.503 1.605 -7.187 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.879 0.446 -8.447 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.724 -0.825 -7.674 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.324 0.636 -6.792 1.00 10.00 H new ATOM 0 HE21 GLN A 16 2.627 1.486 -8.086 1.00 10.00 H new ATOM 0 HE22 GLN A 16 2.827 1.891 -9.794 1.00 10.00 H new ATOM 254 N GLY A 17 9.041 -0.849 -7.620 1.00 10.00 N ATOM 255 CA GLY A 17 10.031 -1.750 -8.271 1.00 10.00 C ATOM 256 C GLY A 17 10.389 -2.877 -7.305 1.00 10.00 C ATOM 257 O GLY A 17 10.188 -4.040 -7.593 1.00 10.00 O ATOM 0 H GLY A 17 9.291 0.140 -7.613 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.617 -2.161 -9.192 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.926 -1.191 -8.545 1.00 10.00 H new ATOM 261 N TYR A 18 10.911 -2.542 -6.156 1.00 10.00 N ATOM 262 CA TYR A 18 11.275 -3.595 -5.170 1.00 10.00 C ATOM 263 C TYR A 18 10.178 -4.660 -5.115 1.00 10.00 C ATOM 264 O TYR A 18 10.441 -5.842 -5.212 1.00 10.00 O ATOM 265 CB TYR A 18 11.382 -2.867 -3.830 1.00 10.00 C ATOM 266 CG TYR A 18 12.542 -3.432 -3.048 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.756 -3.690 -3.693 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.402 -3.701 -1.681 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.833 -4.218 -2.972 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.479 -4.227 -0.959 1.00 10.00 C ATOM 271 CZ TYR A 18 14.694 -4.486 -1.605 1.00 10.00 C ATOM 272 OH TYR A 18 15.753 -5.010 -0.897 1.00 10.00 O ATOM 0 H TYR A 18 11.100 -1.585 -5.859 1.00 10.00 H new ATOM 0 HA TYR A 18 12.204 -4.103 -5.430 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.524 -1.799 -3.994 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.457 -2.982 -3.265 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.862 -3.482 -4.747 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.464 -3.503 -1.184 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.770 -4.418 -3.470 1.00 10.00 H new ATOM 0 HE2 TYR A 18 13.373 -4.433 0.096 1.00 10.00 H new ATOM 0 HH TYR A 18 16.026 -5.861 -1.299 1.00 10.00 H new ATOM 282 N THR A 19 8.950 -4.249 -4.967 1.00 10.00 N ATOM 283 CA THR A 19 7.837 -5.237 -4.913 1.00 10.00 C ATOM 284 C THR A 19 7.819 -6.065 -6.199 1.00 10.00 C ATOM 285 O THR A 19 7.394 -7.202 -6.215 1.00 10.00 O ATOM 286 CB THR A 19 6.565 -4.392 -4.786 1.00 10.00 C ATOM 287 OG1 THR A 19 6.269 -4.192 -3.411 1.00 10.00 O ATOM 288 CG2 THR A 19 5.392 -5.108 -5.460 1.00 10.00 C ATOM 0 H THR A 19 8.669 -3.272 -4.881 1.00 10.00 H new ATOM 0 HA THR A 19 7.936 -5.939 -4.085 1.00 10.00 H new ATOM 0 HB THR A 19 6.723 -3.430 -5.273 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.457 -3.650 -3.327 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.492 -4.501 -5.365 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.617 -5.261 -6.516 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.231 -6.073 -4.980 1.00 10.00 H new ATOM 296 N VAL A 20 8.277 -5.507 -7.280 1.00 10.00 N ATOM 297 CA VAL A 20 8.279 -6.275 -8.554 1.00 10.00 C ATOM 298 C VAL A 20 9.555 -7.112 -8.664 1.00 10.00 C ATOM 299 O VAL A 20 9.620 -8.065 -9.412 1.00 10.00 O ATOM 300 CB VAL A 20 8.225 -5.221 -9.658 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.206 -5.914 -11.022 1.00 10.00 C ATOM 302 CG2 VAL A 20 6.955 -4.382 -9.494 1.00 10.00 C ATOM 0 H VAL A 20 8.648 -4.559 -7.339 1.00 10.00 H new ATOM 0 HA VAL A 20 7.440 -6.968 -8.619 1.00 10.00 H new ATOM 0 HB VAL A 20 9.101 -4.575 -9.591 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.167 -5.163 -11.811 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.108 -6.515 -11.137 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.329 -6.558 -11.091 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.913 -3.628 -10.280 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.080 -5.029 -9.564 1.00 10.00 H new ATOM 0 HG23 VAL A 20 6.966 -3.891 -8.521 1.00 10.00 H new ATOM 312 N GLU A 21 10.568 -6.773 -7.918 1.00 10.00 N ATOM 313 CA GLU A 21 11.829 -7.569 -7.982 1.00 10.00 C ATOM 314 C GLU A 21 11.818 -8.612 -6.870 1.00 10.00 C ATOM 315 O GLU A 21 12.100 -9.774 -7.082 1.00 10.00 O ATOM 316 CB GLU A 21 12.974 -6.577 -7.761 1.00 10.00 C ATOM 317 CG GLU A 21 12.468 -5.157 -7.975 1.00 10.00 C ATOM 318 CD GLU A 21 13.634 -4.246 -8.359 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.158 -4.414 -9.448 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.985 -3.394 -7.558 1.00 10.00 O ATOM 0 H GLU A 21 10.580 -5.985 -7.270 1.00 10.00 H new ATOM 0 HA GLU A 21 11.937 -8.086 -8.935 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.372 -6.684 -6.752 1.00 10.00 H new ATOM 0 HB3 GLU A 21 13.791 -6.790 -8.450 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.711 -5.145 -8.759 1.00 10.00 H new ATOM 0 HG3 GLU A 21 11.991 -4.790 -7.066 1.00 10.00 H new ATOM 327 N VAL A 22 11.486 -8.194 -5.683 1.00 10.00 N ATOM 328 CA VAL A 22 11.443 -9.141 -4.540 1.00 10.00 C ATOM 329 C VAL A 22 10.409 -10.237 -4.809 1.00 10.00 C ATOM 330 O VAL A 22 10.623 -11.393 -4.502 1.00 10.00 O ATOM 331 CB VAL A 22 11.027 -8.288 -3.343 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.016 -9.149 -2.085 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.024 -7.140 -3.161 1.00 10.00 C ATOM 0 H VAL A 22 11.241 -7.230 -5.455 1.00 10.00 H new ATOM 0 HA VAL A 22 12.398 -9.640 -4.372 1.00 10.00 H new ATOM 0 HB VAL A 22 10.031 -7.882 -3.517 1.00 10.00 H new ATOM 0 HG11 VAL A 22 10.719 -8.541 -1.230 1.00 10.00 H new ATOM 0 HG12 VAL A 22 10.308 -9.968 -2.211 1.00 10.00 H new ATOM 0 HG13 VAL A 22 12.013 -9.555 -1.913 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.727 -6.532 -2.307 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.020 -7.547 -2.987 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.036 -6.523 -4.059 1.00 10.00 H new ATOM 343 N LEU A 23A 9.289 -9.884 -5.381 1.00 10.00 N ATOM 344 CA LEU A 23A 8.248 -10.911 -5.667 1.00 10.00 C ATOM 345 C LEU A 23A 8.517 -11.576 -7.020 1.00 10.00 C ATOM 346 O LEU A 23A 8.176 -12.722 -7.237 1.00 10.00 O ATOM 347 CB LEU A 23A 6.925 -10.142 -5.699 1.00 10.00 C ATOM 348 CG LEU A 23A 6.537 -9.722 -4.278 1.00 10.00 C ATOM 349 CD1 LEU A 23A 6.718 -10.904 -3.325 1.00 10.00 C ATOM 350 CD2 LEU A 23A 7.429 -8.565 -3.825 1.00 10.00 C ATOM 0 H LEU A 23A 9.051 -8.933 -5.661 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.238 -11.705 -4.920 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.020 -9.262 -6.335 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 6.142 -10.765 -6.131 1.00 10.00 H new ATOM 0 HG LEU A 23A 5.494 -9.404 -4.269 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 6.441 -10.603 -2.315 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 6.082 -11.730 -3.644 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 7.760 -11.224 -3.336 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 7.152 -8.267 -2.814 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 8.472 -8.883 -3.837 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 7.300 -7.720 -4.501 1.00 10.00 H new ATOM 362 N ARG A 24 9.125 -10.868 -7.933 1.00 10.00 N ATOM 363 CA ARG A 24 9.414 -11.465 -9.269 1.00 10.00 C ATOM 364 C ARG A 24 10.889 -11.867 -9.362 1.00 10.00 C ATOM 365 O ARG A 24 11.474 -11.874 -10.427 1.00 10.00 O ATOM 366 CB ARG A 24 9.092 -10.358 -10.272 1.00 10.00 C ATOM 367 CG ARG A 24 8.449 -10.963 -11.521 1.00 10.00 C ATOM 368 CD ARG A 24 9.404 -11.981 -12.149 1.00 10.00 C ATOM 369 NE ARG A 24 8.560 -12.764 -13.093 1.00 10.00 N ATOM 370 CZ ARG A 24 8.084 -12.196 -14.167 1.00 10.00 C ATOM 371 NH1 ARG A 24 8.845 -11.411 -14.880 1.00 10.00 N ATOM 372 NH2 ARG A 24 6.850 -12.415 -14.528 1.00 10.00 N ATOM 0 H ARG A 24 9.434 -9.903 -7.812 1.00 10.00 H new ATOM 0 HA ARG A 24 8.830 -12.366 -9.456 1.00 10.00 H new ATOM 0 HB2 ARG A 24 8.418 -9.630 -9.821 1.00 10.00 H new ATOM 0 HB3 ARG A 24 10.003 -9.824 -10.543 1.00 10.00 H new ATOM 0 HG2 ARG A 24 7.507 -11.446 -11.260 1.00 10.00 H new ATOM 0 HG3 ARG A 24 8.216 -10.177 -12.239 1.00 10.00 H new ATOM 0 HD2 ARG A 24 10.224 -11.485 -12.669 1.00 10.00 H new ATOM 0 HD3 ARG A 24 9.850 -12.624 -11.391 1.00 10.00 H new ATOM 0 HE ARG A 24 8.354 -13.744 -12.900 1.00 10.00 H new ATOM 0 HH11 ARG A 24 9.810 -11.242 -14.597 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.474 -10.966 -15.720 1.00 10.00 H new ATOM 0 HH21 ARG A 24 6.257 -13.030 -13.971 1.00 10.00 H new ATOM 0 HH22 ARG A 24 6.478 -11.971 -15.367 1.00 10.00 H new ATOM 386 N GLN A 25 11.495 -12.203 -8.257 1.00 10.00 N ATOM 387 CA GLN A 25 12.932 -12.608 -8.289 1.00 10.00 C ATOM 388 C GLN A 25 13.410 -12.991 -6.882 1.00 10.00 C ATOM 389 O GLN A 25 14.574 -12.874 -6.562 1.00 10.00 O ATOM 390 CB GLN A 25 13.675 -11.374 -8.831 1.00 10.00 C ATOM 391 CG GLN A 25 14.409 -10.633 -7.705 1.00 10.00 C ATOM 392 CD GLN A 25 15.880 -11.054 -7.689 1.00 10.00 C ATOM 393 OE1 GLN A 25 16.224 -12.201 -8.209 1.00 10.00 O flip ATOM 394 NE2 GLN A 25 16.725 -10.333 -7.196 1.00 10.00 N flip ATOM 0 H GLN A 25 11.060 -12.215 -7.334 1.00 10.00 H new ATOM 0 HA GLN A 25 13.111 -13.484 -8.913 1.00 10.00 H new ATOM 0 HB2 GLN A 25 14.390 -11.682 -9.594 1.00 10.00 H new ATOM 0 HB3 GLN A 25 12.966 -10.700 -9.312 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.330 -9.556 -7.853 1.00 10.00 H new ATOM 0 HG3 GLN A 25 13.945 -10.858 -6.745 1.00 10.00 H new ATOM 0 HE21 GLN A 25 16.457 -9.437 -6.790 1.00 10.00 H new ATOM 0 HE22 GLN A 25 17.703 -10.624 -7.189 1.00 10.00 H new ATOM 403 N GLN A 26 12.512 -13.452 -6.046 1.00 10.00 N ATOM 404 CA GLN A 26 12.892 -13.853 -4.652 1.00 10.00 C ATOM 405 C GLN A 26 14.413 -13.948 -4.501 1.00 10.00 C ATOM 406 O GLN A 26 14.993 -15.002 -4.678 1.00 10.00 O ATOM 407 CB GLN A 26 12.249 -15.227 -4.451 1.00 10.00 C ATOM 408 CG GLN A 26 10.916 -15.066 -3.716 1.00 10.00 C ATOM 409 CD GLN A 26 11.052 -15.593 -2.287 1.00 10.00 C ATOM 410 OE1 GLN A 26 12.120 -16.002 -1.876 1.00 10.00 O ATOM 411 NE2 GLN A 26 10.005 -15.603 -1.507 1.00 10.00 N ATOM 0 H GLN A 26 11.524 -13.569 -6.270 1.00 10.00 H new ATOM 0 HA GLN A 26 12.555 -13.124 -3.915 1.00 10.00 H new ATOM 0 HB2 GLN A 26 12.089 -15.709 -5.415 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.916 -15.872 -3.879 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.622 -14.017 -3.701 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.131 -15.610 -4.242 1.00 10.00 H new ATOM 0 HE21 GLN A 26 9.109 -15.260 -1.852 1.00 10.00 H new ATOM 0 HE22 GLN A 26 10.083 -15.954 -0.553 1.00 10.00 H new ATOM 420 N PRO A 27 15.008 -12.830 -4.183 1.00 10.00 N ATOM 421 CA PRO A 27 16.479 -12.768 -4.008 1.00 10.00 C ATOM 422 C PRO A 27 16.908 -13.528 -2.751 1.00 10.00 C ATOM 423 O PRO A 27 16.089 -13.871 -1.921 1.00 10.00 O ATOM 424 CB PRO A 27 16.761 -11.274 -3.865 1.00 10.00 C ATOM 425 CG PRO A 27 15.477 -10.692 -3.369 1.00 10.00 C ATOM 426 CD PRO A 27 14.374 -11.531 -3.957 1.00 10.00 C ATOM 0 HA PRO A 27 17.025 -13.224 -4.834 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.576 -11.090 -3.165 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.054 -10.833 -4.818 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.439 -10.708 -2.280 1.00 10.00 H new ATOM 0 HG3 PRO A 27 15.379 -9.651 -3.676 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.527 -11.612 -3.276 1.00 10.00 H new ATOM 0 HD3 PRO A 27 13.997 -11.103 -4.886 1.00 10.00 H new ATOM 434 N PRO A 28 18.187 -13.765 -2.656 1.00 10.00 N ATOM 435 CA PRO A 28 18.746 -14.492 -1.492 1.00 10.00 C ATOM 436 C PRO A 28 18.658 -13.632 -0.228 1.00 10.00 C ATOM 437 O PRO A 28 18.492 -14.133 0.866 1.00 10.00 O ATOM 438 CB PRO A 28 20.201 -14.736 -1.888 1.00 10.00 C ATOM 439 CG PRO A 28 20.508 -13.666 -2.882 1.00 10.00 C ATOM 440 CD PRO A 28 19.225 -13.383 -3.616 1.00 10.00 C ATOM 0 HA PRO A 28 18.211 -15.414 -1.265 1.00 10.00 H new ATOM 0 HB2 PRO A 28 20.862 -14.675 -1.024 1.00 10.00 H new ATOM 0 HB3 PRO A 28 20.333 -15.728 -2.321 1.00 10.00 H new ATOM 0 HG2 PRO A 28 20.876 -12.769 -2.385 1.00 10.00 H new ATOM 0 HG3 PRO A 28 21.287 -13.990 -3.573 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.146 -12.332 -3.895 1.00 10.00 H new ATOM 0 HD3 PRO A 28 19.153 -13.963 -4.536 1.00 10.00 H new ATOM 448 N ASP A 29 18.771 -12.339 -0.370 1.00 10.00 N ATOM 449 CA ASP A 29 18.695 -11.447 0.824 1.00 10.00 C ATOM 450 C ASP A 29 17.974 -10.145 0.467 1.00 10.00 C ATOM 451 O ASP A 29 18.284 -9.502 -0.517 1.00 10.00 O ATOM 452 CB ASP A 29 20.149 -11.167 1.201 1.00 10.00 C ATOM 453 CG ASP A 29 20.592 -12.144 2.291 1.00 10.00 C ATOM 454 OD1 ASP A 29 20.205 -13.299 2.218 1.00 10.00 O ATOM 455 OD2 ASP A 29 21.312 -11.722 3.181 1.00 10.00 O ATOM 0 H ASP A 29 18.913 -11.862 -1.260 1.00 10.00 H new ATOM 0 HA ASP A 29 18.141 -11.902 1.645 1.00 10.00 H new ATOM 0 HB2 ASP A 29 20.789 -11.269 0.325 1.00 10.00 H new ATOM 0 HB3 ASP A 29 20.253 -10.141 1.554 1.00 10.00 H new ATOM 460 N LEU A 30 17.016 -9.749 1.260 1.00 10.00 N ATOM 461 CA LEU A 30 16.277 -8.487 0.965 1.00 10.00 C ATOM 462 C LEU A 30 17.124 -7.276 1.362 1.00 10.00 C ATOM 463 O LEU A 30 17.610 -6.548 0.521 1.00 10.00 O ATOM 464 CB LEU A 30 15.010 -8.565 1.820 1.00 10.00 C ATOM 465 CG LEU A 30 13.802 -8.129 0.991 1.00 10.00 C ATOM 466 CD1 LEU A 30 13.996 -6.684 0.534 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.672 -9.037 -0.234 1.00 10.00 C ATOM 0 H LEU A 30 16.713 -10.244 2.099 1.00 10.00 H new ATOM 0 HA LEU A 30 16.046 -8.377 -0.095 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.866 -9.583 2.182 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.111 -7.926 2.697 1.00 10.00 H new ATOM 0 HG LEU A 30 12.898 -8.202 1.596 1.00 10.00 H new ATOM 0 HD11 LEU A 30 13.136 -6.371 -0.057 1.00 10.00 H new ATOM 0 HD12 LEU A 30 14.092 -6.037 1.406 1.00 10.00 H new ATOM 0 HD13 LEU A 30 14.899 -6.612 -0.073 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.811 -8.728 -0.826 1.00 10.00 H new ATOM 0 HD22 LEU A 30 14.575 -8.962 -0.840 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.537 -10.069 0.091 1.00 10.00 H new ATOM 479 N VAL A 31 17.312 -7.060 2.636 1.00 10.00 N ATOM 480 CA VAL A 31 18.141 -5.899 3.078 1.00 10.00 C ATOM 481 C VAL A 31 19.310 -5.717 2.119 1.00 10.00 C ATOM 482 O VAL A 31 19.420 -4.727 1.424 1.00 10.00 O ATOM 483 CB VAL A 31 18.658 -6.289 4.459 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.335 -5.083 5.111 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.487 -6.748 5.327 1.00 10.00 C ATOM 0 H VAL A 31 16.930 -7.634 3.388 1.00 10.00 H new ATOM 0 HA VAL A 31 17.578 -4.966 3.099 1.00 10.00 H new ATOM 0 HB VAL A 31 19.380 -7.100 4.362 1.00 10.00 H new ATOM 0 HG11 VAL A 31 19.704 -5.362 6.098 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.169 -4.755 4.491 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.615 -4.271 5.210 1.00 10.00 H new ATOM 0 HG21 VAL A 31 17.854 -7.027 6.315 1.00 10.00 H new ATOM 0 HG22 VAL A 31 16.766 -5.936 5.424 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.005 -7.608 4.862 1.00 10.00 H new ATOM 495 N ASP A 32 20.178 -6.684 2.072 1.00 10.00 N ATOM 496 CA ASP A 32 21.340 -6.602 1.156 1.00 10.00 C ATOM 497 C ASP A 32 20.852 -6.288 -0.259 1.00 10.00 C ATOM 498 O ASP A 32 21.398 -5.444 -0.941 1.00 10.00 O ATOM 499 CB ASP A 32 21.970 -7.990 1.228 1.00 10.00 C ATOM 500 CG ASP A 32 23.491 -7.870 1.115 1.00 10.00 C ATOM 501 OD1 ASP A 32 23.946 -6.939 0.471 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.175 -8.712 1.675 1.00 10.00 O ATOM 0 H ASP A 32 20.130 -7.534 2.634 1.00 10.00 H new ATOM 0 HA ASP A 32 22.051 -5.820 1.424 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.702 -8.474 2.167 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.584 -8.618 0.425 1.00 10.00 H new ATOM 507 N PHE A 33 19.812 -6.947 -0.700 1.00 10.00 N ATOM 508 CA PHE A 33 19.282 -6.663 -2.063 1.00 10.00 C ATOM 509 C PHE A 33 18.952 -5.175 -2.167 1.00 10.00 C ATOM 510 O PHE A 33 19.499 -4.462 -2.985 1.00 10.00 O ATOM 511 CB PHE A 33 18.016 -7.513 -2.190 1.00 10.00 C ATOM 512 CG PHE A 33 17.191 -7.039 -3.365 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.788 -6.297 -4.392 1.00 10.00 C ATOM 514 CD2 PHE A 33 15.828 -7.348 -3.428 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.020 -5.866 -5.481 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.060 -6.915 -4.516 1.00 10.00 C ATOM 517 CZ PHE A 33 15.656 -6.174 -5.543 1.00 10.00 C ATOM 0 H PHE A 33 19.310 -7.665 -0.177 1.00 10.00 H new ATOM 0 HA PHE A 33 19.994 -6.899 -2.854 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.284 -8.561 -2.322 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.430 -7.447 -1.273 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.840 -6.057 -4.344 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.368 -7.921 -2.637 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.481 -5.295 -6.274 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.008 -7.153 -4.563 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.064 -5.840 -6.382 1.00 10.00 H new ATOM 527 N ALA A 34 18.073 -4.701 -1.330 1.00 10.00 N ATOM 528 CA ALA A 34 17.721 -3.255 -1.366 1.00 10.00 C ATOM 529 C ALA A 34 19.004 -2.428 -1.436 1.00 10.00 C ATOM 530 O ALA A 34 19.037 -1.354 -2.002 1.00 10.00 O ATOM 531 CB ALA A 34 16.985 -2.990 -0.051 1.00 10.00 C ATOM 0 H ALA A 34 17.584 -5.251 -0.624 1.00 10.00 H new ATOM 0 HA ALA A 34 17.109 -2.991 -2.228 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.692 -1.941 -0.003 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.096 -3.618 0.001 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.642 -3.222 0.787 1.00 10.00 H new ATOM 537 N VAL A 35 20.063 -2.927 -0.864 1.00 10.00 N ATOM 538 CA VAL A 35 21.347 -2.191 -0.888 1.00 10.00 C ATOM 539 C VAL A 35 22.061 -2.429 -2.222 1.00 10.00 C ATOM 540 O VAL A 35 22.292 -1.513 -2.983 1.00 10.00 O ATOM 541 CB VAL A 35 22.136 -2.794 0.271 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.629 -2.619 0.021 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.744 -2.091 1.569 1.00 10.00 C ATOM 0 H VAL A 35 20.089 -3.823 -0.377 1.00 10.00 H new ATOM 0 HA VAL A 35 21.228 -1.112 -0.790 1.00 10.00 H new ATOM 0 HB VAL A 35 21.910 -3.857 0.352 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.190 -3.050 0.850 1.00 10.00 H new ATOM 0 HG12 VAL A 35 23.904 -3.124 -0.905 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.862 -1.557 -0.061 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.306 -2.520 2.399 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.969 -1.027 1.489 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.677 -2.224 1.747 1.00 10.00 H new ATOM 553 N GLU A 36 22.406 -3.653 -2.507 1.00 10.00 N ATOM 554 CA GLU A 36 23.103 -3.954 -3.789 1.00 10.00 C ATOM 555 C GLU A 36 22.395 -3.260 -4.958 1.00 10.00 C ATOM 556 O GLU A 36 23.025 -2.750 -5.863 1.00 10.00 O ATOM 557 CB GLU A 36 23.030 -5.480 -3.923 1.00 10.00 C ATOM 558 CG GLU A 36 22.365 -5.863 -5.249 1.00 10.00 C ATOM 559 CD GLU A 36 22.298 -7.387 -5.365 1.00 10.00 C ATOM 560 OE1 GLU A 36 23.203 -8.039 -4.873 1.00 10.00 O ATOM 561 OE2 GLU A 36 21.343 -7.876 -5.945 1.00 10.00 O ATOM 0 H GLU A 36 22.235 -4.460 -1.907 1.00 10.00 H new ATOM 0 HA GLU A 36 24.132 -3.596 -3.800 1.00 10.00 H new ATOM 0 HB2 GLU A 36 24.033 -5.905 -3.874 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.465 -5.899 -3.090 1.00 10.00 H new ATOM 0 HG2 GLU A 36 21.362 -5.439 -5.301 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.930 -5.449 -6.084 1.00 10.00 H new ATOM 568 N TYR A 37 21.090 -3.243 -4.948 1.00 10.00 N ATOM 569 CA TYR A 37 20.347 -2.587 -6.063 1.00 10.00 C ATOM 570 C TYR A 37 20.383 -1.064 -5.912 1.00 10.00 C ATOM 571 O TYR A 37 20.902 -0.360 -6.756 1.00 10.00 O ATOM 572 CB TYR A 37 18.914 -3.105 -5.939 1.00 10.00 C ATOM 573 CG TYR A 37 18.032 -2.389 -6.935 1.00 10.00 C ATOM 574 CD1 TYR A 37 18.154 -2.663 -8.303 1.00 10.00 C ATOM 575 CD2 TYR A 37 17.093 -1.450 -6.490 1.00 10.00 C ATOM 576 CE1 TYR A 37 17.337 -1.998 -9.225 1.00 10.00 C ATOM 577 CE2 TYR A 37 16.275 -0.787 -7.412 1.00 10.00 C ATOM 578 CZ TYR A 37 16.397 -1.060 -8.781 1.00 10.00 C ATOM 579 OH TYR A 37 15.592 -0.405 -9.689 1.00 10.00 O ATOM 0 H TYR A 37 20.507 -3.653 -4.219 1.00 10.00 H new ATOM 0 HA TYR A 37 20.783 -2.814 -7.036 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.887 -4.180 -6.120 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.544 -2.943 -4.927 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.878 -3.387 -8.646 1.00 10.00 H new ATOM 0 HD2 TYR A 37 17.000 -1.237 -5.435 1.00 10.00 H new ATOM 0 HE1 TYR A 37 17.432 -2.209 -10.280 1.00 10.00 H new ATOM 0 HE2 TYR A 37 15.549 -0.065 -7.068 1.00 10.00 H new ATOM 0 HH TYR A 37 14.996 0.211 -9.213 1.00 10.00 H new ATOM 589 N PHE A 38 19.833 -0.548 -4.848 1.00 10.00 N ATOM 590 CA PHE A 38 19.835 0.931 -4.655 1.00 10.00 C ATOM 591 C PHE A 38 21.272 1.469 -4.663 1.00 10.00 C ATOM 592 O PHE A 38 21.560 2.469 -5.289 1.00 10.00 O ATOM 593 CB PHE A 38 19.173 1.158 -3.293 1.00 10.00 C ATOM 594 CG PHE A 38 17.707 0.796 -3.371 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.981 1.032 -4.548 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.069 0.223 -2.262 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.623 0.695 -4.613 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.712 -0.114 -2.329 1.00 10.00 C ATOM 599 CZ PHE A 38 14.989 0.122 -3.504 1.00 10.00 C ATOM 0 H PHE A 38 19.383 -1.084 -4.105 1.00 10.00 H new ATOM 0 HA PHE A 38 19.304 1.451 -5.452 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.667 0.553 -2.533 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.285 2.200 -2.993 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.469 1.474 -5.404 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.625 0.041 -1.354 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.065 0.877 -5.519 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.223 -0.556 -1.474 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.942 -0.138 -3.555 1.00 10.00 H new ATOM 609 N THR A 39 22.176 0.816 -3.982 1.00 10.00 N ATOM 610 CA THR A 39 23.588 1.303 -3.972 1.00 10.00 C ATOM 611 C THR A 39 24.115 1.382 -5.406 1.00 10.00 C ATOM 612 O THR A 39 24.680 2.375 -5.819 1.00 10.00 O ATOM 613 CB THR A 39 24.378 0.263 -3.171 1.00 10.00 C ATOM 614 OG1 THR A 39 24.176 0.475 -1.782 1.00 10.00 O ATOM 615 CG2 THR A 39 25.867 0.393 -3.492 1.00 10.00 C ATOM 0 H THR A 39 22.001 -0.027 -3.436 1.00 10.00 H new ATOM 0 HA THR A 39 23.677 2.297 -3.533 1.00 10.00 H new ATOM 0 HB THR A 39 24.032 -0.735 -3.440 1.00 10.00 H new ATOM 0 HG1 THR A 39 24.897 0.044 -1.277 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.428 -0.347 -2.922 1.00 10.00 H new ATOM 0 HG22 THR A 39 26.025 0.226 -4.557 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.211 1.393 -3.226 1.00 10.00 H new ATOM 623 N ARG A 40 23.931 0.339 -6.168 1.00 10.00 N ATOM 624 CA ARG A 40 24.419 0.348 -7.576 1.00 10.00 C ATOM 625 C ARG A 40 23.633 1.371 -8.400 1.00 10.00 C ATOM 626 O ARG A 40 24.181 2.050 -9.246 1.00 10.00 O ATOM 627 CB ARG A 40 24.162 -1.070 -8.090 1.00 10.00 C ATOM 628 CG ARG A 40 24.331 -1.102 -9.609 1.00 10.00 C ATOM 629 CD ARG A 40 24.994 -2.419 -10.021 1.00 10.00 C ATOM 630 NE ARG A 40 25.675 -2.121 -11.312 1.00 10.00 N ATOM 631 CZ ARG A 40 25.925 -3.085 -12.154 1.00 10.00 C ATOM 632 NH1 ARG A 40 24.942 -3.771 -12.670 1.00 10.00 N ATOM 633 NH2 ARG A 40 27.159 -3.362 -12.481 1.00 10.00 N ATOM 0 H ARG A 40 23.464 -0.519 -5.876 1.00 10.00 H new ATOM 0 HA ARG A 40 25.471 0.624 -7.650 1.00 10.00 H new ATOM 0 HB2 ARG A 40 24.855 -1.769 -7.622 1.00 10.00 H new ATOM 0 HB3 ARG A 40 23.156 -1.389 -7.819 1.00 10.00 H new ATOM 0 HG2 ARG A 40 23.361 -1.003 -10.096 1.00 10.00 H new ATOM 0 HG3 ARG A 40 24.939 -0.258 -9.936 1.00 10.00 H new ATOM 0 HD2 ARG A 40 25.706 -2.755 -9.267 1.00 10.00 H new ATOM 0 HD3 ARG A 40 24.256 -3.213 -10.138 1.00 10.00 H new ATOM 0 HE ARG A 40 25.946 -1.164 -11.537 1.00 10.00 H new ATOM 0 HH11 ARG A 40 23.979 -3.553 -12.415 1.00 10.00 H new ATOM 0 HH12 ARG A 40 25.137 -4.525 -13.329 1.00 10.00 H new ATOM 0 HH21 ARG A 40 27.926 -2.824 -12.078 1.00 10.00 H new ATOM 0 HH22 ARG A 40 27.355 -4.116 -13.139 1.00 10.00 H new ATOM 647 N LEU A 41 22.355 1.490 -8.160 1.00 10.00 N ATOM 648 CA LEU A 41 21.541 2.472 -8.932 1.00 10.00 C ATOM 649 C LEU A 41 22.203 3.854 -8.880 1.00 10.00 C ATOM 650 O LEU A 41 22.278 4.558 -9.867 1.00 10.00 O ATOM 651 CB LEU A 41 20.178 2.500 -8.230 1.00 10.00 C ATOM 652 CG LEU A 41 19.044 2.737 -9.242 1.00 10.00 C ATOM 653 CD1 LEU A 41 18.080 3.784 -8.685 1.00 10.00 C ATOM 654 CD2 LEU A 41 19.610 3.239 -10.576 1.00 10.00 C ATOM 0 H LEU A 41 21.840 0.951 -7.464 1.00 10.00 H new ATOM 0 HA LEU A 41 21.448 2.200 -9.983 1.00 10.00 H new ATOM 0 HB2 LEU A 41 20.014 1.557 -7.708 1.00 10.00 H new ATOM 0 HB3 LEU A 41 20.169 3.287 -7.476 1.00 10.00 H new ATOM 0 HG LEU A 41 18.522 1.795 -9.409 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.275 3.954 -9.400 1.00 10.00 H new ATOM 0 HD12 LEU A 41 17.660 3.428 -7.744 1.00 10.00 H new ATOM 0 HD13 LEU A 41 18.616 4.717 -8.513 1.00 10.00 H new ATOM 0 HD21 LEU A 41 18.794 3.401 -11.280 1.00 10.00 H new ATOM 0 HD22 LEU A 41 20.142 4.176 -10.416 1.00 10.00 H new ATOM 0 HD23 LEU A 41 20.297 2.497 -10.982 1.00 10.00 H new ATOM 666 N ARG A 42 22.687 4.245 -7.733 1.00 10.00 N ATOM 667 CA ARG A 42 23.345 5.578 -7.616 1.00 10.00 C ATOM 668 C ARG A 42 24.460 5.715 -8.656 1.00 10.00 C ATOM 669 O ARG A 42 24.884 6.805 -8.985 1.00 10.00 O ATOM 670 CB ARG A 42 23.924 5.609 -6.201 1.00 10.00 C ATOM 671 CG ARG A 42 22.806 5.366 -5.186 1.00 10.00 C ATOM 672 CD ARG A 42 22.265 6.710 -4.690 1.00 10.00 C ATOM 673 NE ARG A 42 21.455 7.241 -5.822 1.00 10.00 N ATOM 674 CZ ARG A 42 21.046 8.481 -5.809 1.00 10.00 C ATOM 675 NH1 ARG A 42 21.705 9.379 -5.129 1.00 10.00 N ATOM 676 NH2 ARG A 42 19.978 8.821 -6.477 1.00 10.00 N ATOM 0 H ARG A 42 22.655 3.699 -6.872 1.00 10.00 H new ATOM 0 HA ARG A 42 22.649 6.398 -7.791 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.697 4.847 -6.096 1.00 10.00 H new ATOM 0 HB3 ARG A 42 24.398 6.572 -6.012 1.00 10.00 H new ATOM 0 HG2 ARG A 42 22.005 4.786 -5.644 1.00 10.00 H new ATOM 0 HG3 ARG A 42 23.183 4.782 -4.347 1.00 10.00 H new ATOM 0 HD2 ARG A 42 21.657 6.584 -3.794 1.00 10.00 H new ATOM 0 HD3 ARG A 42 23.076 7.391 -4.432 1.00 10.00 H new ATOM 0 HE ARG A 42 21.220 6.635 -6.608 1.00 10.00 H new ATOM 0 HH11 ARG A 42 22.540 9.112 -4.607 1.00 10.00 H new ATOM 0 HH12 ARG A 42 21.385 10.347 -5.119 1.00 10.00 H new ATOM 0 HH21 ARG A 42 19.464 8.119 -7.008 1.00 10.00 H new ATOM 0 HH22 ARG A 42 19.657 9.789 -6.468 1.00 10.00 H new ATOM 690 N GLU A 43 24.940 4.618 -9.173 1.00 10.00 N ATOM 691 CA GLU A 43 26.028 4.684 -10.187 1.00 10.00 C ATOM 692 C GLU A 43 25.502 4.221 -11.551 1.00 10.00 C ATOM 693 O GLU A 43 26.201 4.268 -12.544 1.00 10.00 O ATOM 694 CB GLU A 43 27.107 3.736 -9.645 1.00 10.00 C ATOM 695 CG GLU A 43 27.807 3.008 -10.796 1.00 10.00 C ATOM 696 CD GLU A 43 28.816 3.948 -11.461 1.00 10.00 C ATOM 697 OE1 GLU A 43 29.914 4.067 -10.943 1.00 10.00 O ATOM 698 OE2 GLU A 43 28.474 4.532 -12.476 1.00 10.00 O ATOM 0 H GLU A 43 24.625 3.677 -8.936 1.00 10.00 H new ATOM 0 HA GLU A 43 26.416 5.691 -10.338 1.00 10.00 H new ATOM 0 HB2 GLU A 43 27.838 4.300 -9.066 1.00 10.00 H new ATOM 0 HB3 GLU A 43 26.656 3.010 -8.969 1.00 10.00 H new ATOM 0 HG2 GLU A 43 28.315 2.119 -10.422 1.00 10.00 H new ATOM 0 HG3 GLU A 43 27.072 2.671 -11.527 1.00 10.00 H new ATOM 705 N ALA A 44 24.273 3.777 -11.608 1.00 10.00 N ATOM 706 CA ALA A 44 23.705 3.314 -12.910 1.00 10.00 C ATOM 707 C ALA A 44 24.180 4.206 -14.048 1.00 10.00 C ATOM 708 O ALA A 44 24.989 3.816 -14.867 1.00 10.00 O ATOM 709 CB ALA A 44 22.194 3.466 -12.775 1.00 10.00 C ATOM 0 H ALA A 44 23.639 3.715 -10.811 1.00 10.00 H new ATOM 0 HA ALA A 44 24.012 2.291 -13.128 1.00 10.00 H new ATOM 0 HB1 ALA A 44 21.712 3.143 -13.698 1.00 10.00 H new ATOM 0 HB2 ALA A 44 21.839 2.853 -11.947 1.00 10.00 H new ATOM 0 HB3 ALA A 44 21.949 4.511 -12.584 1.00 10.00 H new ATOM 715 N ARG A 45 23.654 5.397 -14.109 1.00 10.00 N ATOM 716 CA ARG A 45 24.035 6.332 -15.198 1.00 10.00 C ATOM 717 C ARG A 45 25.502 6.130 -15.589 1.00 10.00 C ATOM 718 O ARG A 45 26.383 6.128 -14.753 1.00 10.00 O ATOM 719 CB ARG A 45 23.815 7.728 -14.617 1.00 10.00 C ATOM 720 CG ARG A 45 24.598 8.756 -15.437 1.00 10.00 C ATOM 721 CD ARG A 45 24.211 8.637 -16.912 1.00 10.00 C ATOM 722 NE ARG A 45 25.355 9.230 -17.657 1.00 10.00 N ATOM 723 CZ ARG A 45 25.257 9.448 -18.940 1.00 10.00 C ATOM 724 NH1 ARG A 45 24.094 9.713 -19.471 1.00 10.00 N ATOM 725 NH2 ARG A 45 26.321 9.401 -19.694 1.00 10.00 N ATOM 0 H ARG A 45 22.972 5.763 -13.445 1.00 10.00 H new ATOM 0 HA ARG A 45 23.448 6.172 -16.102 1.00 10.00 H new ATOM 0 HB2 ARG A 45 22.753 7.973 -14.626 1.00 10.00 H new ATOM 0 HB3 ARG A 45 24.139 7.755 -13.577 1.00 10.00 H new ATOM 0 HG2 ARG A 45 24.387 9.762 -15.075 1.00 10.00 H new ATOM 0 HG3 ARG A 45 25.669 8.592 -15.317 1.00 10.00 H new ATOM 0 HD2 ARG A 45 24.051 7.597 -17.196 1.00 10.00 H new ATOM 0 HD3 ARG A 45 23.284 9.171 -17.122 1.00 10.00 H new ATOM 0 HE ARG A 45 26.216 9.466 -17.164 1.00 10.00 H new ATOM 0 HH11 ARG A 45 23.261 9.750 -18.883 1.00 10.00 H new ATOM 0 HH12 ARG A 45 24.018 9.883 -20.474 1.00 10.00 H new ATOM 0 HH21 ARG A 45 27.230 9.194 -19.281 1.00 10.00 H new ATOM 0 HH22 ARG A 45 26.243 9.571 -20.697 1.00 10.00 H new ATOM 739 N ARG A 46 25.771 5.956 -16.855 1.00 10.00 N ATOM 740 CA ARG A 46 27.181 5.749 -17.294 1.00 10.00 C ATOM 741 C ARG A 46 27.236 5.550 -18.811 1.00 10.00 C ATOM 742 O ARG A 46 28.289 5.784 -19.382 1.00 10.00 O ATOM 743 CB ARG A 46 27.633 4.484 -16.562 1.00 10.00 C ATOM 744 CG ARG A 46 28.859 3.887 -17.256 1.00 10.00 C ATOM 745 CD ARG A 46 29.090 2.464 -16.745 1.00 10.00 C ATOM 746 NE ARG A 46 30.550 2.224 -16.911 1.00 10.00 N ATOM 747 CZ ARG A 46 31.034 1.020 -16.772 1.00 10.00 C ATOM 748 NH1 ARG A 46 31.034 0.196 -17.783 1.00 10.00 N ATOM 749 NH2 ARG A 46 31.516 0.639 -15.622 1.00 10.00 N ATOM 750 OXT ARG A 46 26.224 5.169 -19.376 1.00 10.00 O ATOM 0 H ARG A 46 25.077 5.948 -17.603 1.00 10.00 H new ATOM 0 HA ARG A 46 27.821 6.602 -17.067 1.00 10.00 H new ATOM 0 HB2 ARG A 46 27.871 4.720 -15.525 1.00 10.00 H new ATOM 0 HB3 ARG A 46 26.823 3.755 -16.545 1.00 10.00 H new ATOM 0 HG2 ARG A 46 28.711 3.878 -18.336 1.00 10.00 H new ATOM 0 HG3 ARG A 46 29.737 4.502 -17.060 1.00 10.00 H new ATOM 0 HD2 ARG A 46 28.791 2.367 -15.701 1.00 10.00 H new ATOM 0 HD3 ARG A 46 28.505 1.741 -17.313 1.00 10.00 H new ATOM 0 HE ARG A 46 31.172 3.001 -17.133 1.00 10.00 H new ATOM 0 HH11 ARG A 46 30.656 0.493 -18.683 1.00 10.00 H new ATOM 0 HH12 ARG A 46 31.412 -0.745 -17.674 1.00 10.00 H new ATOM 0 HH21 ARG A 46 31.515 1.282 -14.830 1.00 10.00 H new ATOM 0 HH22 ARG A 46 31.894 -0.302 -15.514 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 -3.444 -3.051 -2.474 1.00 10.00 N ATOM 766 CA HIS B 1 -4.779 -3.337 -3.074 1.00 10.00 C ATOM 767 C HIS B 1 -5.313 -4.677 -2.562 1.00 10.00 C ATOM 768 O HIS B 1 -6.476 -4.992 -2.714 1.00 10.00 O ATOM 769 CB HIS B 1 -4.530 -3.401 -4.582 1.00 10.00 C ATOM 770 CG HIS B 1 -5.111 -2.180 -5.239 1.00 10.00 C ATOM 771 ND1 HIS B 1 -4.675 -0.899 -4.937 1.00 10.00 N ATOM 772 CD2 HIS B 1 -6.096 -2.026 -6.183 1.00 10.00 C ATOM 773 CE1 HIS B 1 -5.388 -0.040 -5.688 1.00 10.00 C ATOM 774 NE2 HIS B 1 -6.269 -0.676 -6.465 1.00 10.00 N ATOM 0 H1 HIS B 1 -3.138 -2.096 -2.748 1.00 10.00 H new ATOM 0 H2 HIS B 1 -3.509 -3.110 -1.438 1.00 10.00 H new ATOM 0 H3 HIS B 1 -2.753 -3.748 -2.817 1.00 10.00 H new ATOM 0 HA HIS B 1 -5.519 -2.580 -2.814 1.00 10.00 H new ATOM 0 HB2 HIS B 1 -3.460 -3.460 -4.782 1.00 10.00 H new ATOM 0 HB3 HIS B 1 -4.983 -4.301 -4.998 1.00 10.00 H new ATOM 0 HD2 HIS B 1 -6.652 -2.832 -6.638 1.00 10.00 H new ATOM 0 HE1 HIS B 1 -5.263 1.033 -5.665 1.00 10.00 H new ATOM 0 HE2 HIS B 1 -6.927 -0.260 -7.124 1.00 10.00 H new ATOM 784 N MET B 2 -4.471 -5.469 -1.953 1.00 10.00 N ATOM 785 CA MET B 2 -4.930 -6.787 -1.430 1.00 10.00 C ATOM 786 C MET B 2 -5.762 -7.517 -2.488 1.00 10.00 C ATOM 787 O MET B 2 -6.940 -7.267 -2.649 1.00 10.00 O ATOM 788 CB MET B 2 -5.790 -6.453 -0.210 1.00 10.00 C ATOM 789 CG MET B 2 -5.047 -6.858 1.064 1.00 10.00 C ATOM 790 SD MET B 2 -6.181 -6.789 2.472 1.00 10.00 S ATOM 791 CE MET B 2 -4.999 -6.147 3.683 1.00 10.00 C ATOM 0 H MET B 2 -3.485 -5.259 -1.796 1.00 10.00 H new ATOM 0 HA MET B 2 -4.096 -7.441 -1.175 1.00 10.00 H new ATOM 0 HB2 MET B 2 -6.013 -5.386 -0.190 1.00 10.00 H new ATOM 0 HB3 MET B 2 -6.744 -6.977 -0.270 1.00 10.00 H new ATOM 0 HG2 MET B 2 -4.643 -7.865 0.958 1.00 10.00 H new ATOM 0 HG3 MET B 2 -4.201 -6.191 1.232 1.00 10.00 H new ATOM 0 HE1 MET B 2 -5.495 -6.024 4.646 1.00 10.00 H new ATOM 0 HE2 MET B 2 -4.170 -6.847 3.788 1.00 10.00 H new ATOM 0 HE3 MET B 2 -4.619 -5.183 3.345 1.00 10.00 H new ATOM 801 N GLY B 3 -5.157 -8.419 -3.211 1.00 10.00 N ATOM 802 CA GLY B 3 -5.912 -9.165 -4.259 1.00 10.00 C ATOM 803 C GLY B 3 -5.082 -9.223 -5.542 1.00 10.00 C ATOM 804 O GLY B 3 -5.460 -9.853 -6.510 1.00 10.00 O ATOM 0 H GLY B 3 -4.173 -8.672 -3.122 1.00 10.00 H new ATOM 0 HA2 GLY B 3 -6.136 -10.174 -3.912 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -6.866 -8.675 -4.453 1.00 10.00 H new ATOM 808 N HIS B 4 -3.951 -8.571 -5.559 1.00 10.00 N ATOM 809 CA HIS B 4 -3.097 -8.590 -6.781 1.00 10.00 C ATOM 810 C HIS B 4 -1.622 -8.435 -6.397 1.00 10.00 C ATOM 811 O HIS B 4 -0.825 -7.915 -7.152 1.00 10.00 O ATOM 812 CB HIS B 4 -3.565 -7.392 -7.609 1.00 10.00 C ATOM 813 CG HIS B 4 -2.666 -7.225 -8.804 1.00 10.00 C ATOM 814 ND1 HIS B 4 -2.206 -8.306 -9.539 1.00 10.00 N ATOM 815 CD2 HIS B 4 -2.135 -6.110 -9.403 1.00 10.00 C ATOM 816 CE1 HIS B 4 -1.434 -7.824 -10.531 1.00 10.00 C ATOM 817 NE2 HIS B 4 -1.357 -6.490 -10.494 1.00 10.00 N ATOM 0 H HIS B 4 -3.582 -8.026 -4.780 1.00 10.00 H new ATOM 0 HA HIS B 4 -3.185 -9.526 -7.333 1.00 10.00 H new ATOM 0 HB2 HIS B 4 -4.595 -7.541 -7.934 1.00 10.00 H new ATOM 0 HB3 HIS B 4 -3.550 -6.488 -7.000 1.00 10.00 H new ATOM 0 HD2 HIS B 4 -2.296 -5.093 -9.078 1.00 10.00 H new ATOM 0 HE1 HIS B 4 -0.938 -8.440 -11.267 1.00 10.00 H new ATOM 0 HE2 HIS B 4 -0.840 -5.881 -11.128 1.00 10.00 H new ATOM 825 N ILE B 5 -1.256 -8.882 -5.226 1.00 10.00 N ATOM 826 CA ILE B 5 0.167 -8.760 -4.792 1.00 10.00 C ATOM 827 C ILE B 5 0.824 -10.143 -4.745 1.00 10.00 C ATOM 828 O ILE B 5 0.195 -11.148 -5.009 1.00 10.00 O ATOM 829 CB ILE B 5 0.104 -8.147 -3.392 1.00 10.00 C ATOM 830 CG1 ILE B 5 -0.950 -7.036 -3.366 1.00 10.00 C ATOM 831 CG2 ILE B 5 1.469 -7.559 -3.029 1.00 10.00 C ATOM 832 CD1 ILE B 5 -0.641 -6.013 -4.459 1.00 10.00 C ATOM 0 H ILE B 5 -1.879 -9.326 -4.551 1.00 10.00 H new ATOM 0 HA ILE B 5 0.757 -8.150 -5.476 1.00 10.00 H new ATOM 0 HB ILE B 5 -0.163 -8.920 -2.671 1.00 10.00 H new ATOM 0 HG12 ILE B 5 -1.943 -7.459 -3.519 1.00 10.00 H new ATOM 0 HG13 ILE B 5 -0.957 -6.550 -2.390 1.00 10.00 H new ATOM 0 HG21 ILE B 5 1.423 -7.122 -2.031 1.00 10.00 H new ATOM 0 HG22 ILE B 5 2.221 -8.348 -3.046 1.00 10.00 H new ATOM 0 HG23 ILE B 5 1.736 -6.787 -3.751 1.00 10.00 H new ATOM 0 HD11 ILE B 5 -1.391 -5.223 -4.440 1.00 10.00 H new ATOM 0 HD12 ILE B 5 0.345 -5.582 -4.285 1.00 10.00 H new ATOM 0 HD13 ILE B 5 -0.656 -6.504 -5.432 1.00 10.00 H new ATOM 844 N GLN B 6 2.083 -10.201 -4.407 1.00 10.00 N ATOM 845 CA GLN B 6 2.778 -11.518 -4.342 1.00 10.00 C ATOM 846 C GLN B 6 3.086 -11.883 -2.886 1.00 10.00 C ATOM 847 O GLN B 6 2.434 -11.423 -1.970 1.00 10.00 O ATOM 848 CB GLN B 6 4.071 -11.321 -5.136 1.00 10.00 C ATOM 849 CG GLN B 6 4.014 -12.149 -6.421 1.00 10.00 C ATOM 850 CD GLN B 6 4.027 -11.214 -7.633 1.00 10.00 C ATOM 851 OE1 GLN B 6 3.074 -10.501 -7.875 1.00 10.00 O ATOM 852 NE2 GLN B 6 5.076 -11.188 -8.409 1.00 10.00 N ATOM 0 H GLN B 6 2.661 -9.393 -4.173 1.00 10.00 H new ATOM 0 HA GLN B 6 2.171 -12.328 -4.748 1.00 10.00 H new ATOM 0 HB2 GLN B 6 4.205 -10.266 -5.376 1.00 10.00 H new ATOM 0 HB3 GLN B 6 4.929 -11.622 -4.535 1.00 10.00 H new ATOM 0 HG2 GLN B 6 4.864 -12.830 -6.465 1.00 10.00 H new ATOM 0 HG3 GLN B 6 3.113 -12.762 -6.431 1.00 10.00 H new ATOM 0 HE21 GLN B 6 5.876 -11.787 -8.205 1.00 10.00 H new ATOM 0 HE22 GLN B 6 5.096 -10.569 -9.219 1.00 10.00 H new ATOM 861 N ILE B 7 4.073 -12.710 -2.665 1.00 10.00 N ATOM 862 CA ILE B 7 4.418 -13.105 -1.269 1.00 10.00 C ATOM 863 C ILE B 7 5.716 -12.422 -0.828 1.00 10.00 C ATOM 864 O ILE B 7 6.760 -13.042 -0.781 1.00 10.00 O ATOM 865 CB ILE B 7 4.599 -14.621 -1.320 1.00 10.00 C ATOM 866 CG1 ILE B 7 3.351 -15.262 -1.932 1.00 10.00 C ATOM 867 CG2 ILE B 7 4.808 -15.158 0.096 1.00 10.00 C ATOM 868 CD1 ILE B 7 2.116 -14.844 -1.130 1.00 10.00 C ATOM 0 H ILE B 7 4.655 -13.129 -3.391 1.00 10.00 H new ATOM 0 HA ILE B 7 3.649 -12.810 -0.555 1.00 10.00 H new ATOM 0 HB ILE B 7 5.469 -14.864 -1.931 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.244 -14.954 -2.972 1.00 10.00 H new ATOM 0 HG13 ILE B 7 3.449 -16.348 -1.930 1.00 10.00 H new ATOM 0 HG21 ILE B 7 4.937 -16.240 0.060 1.00 10.00 H new ATOM 0 HG22 ILE B 7 5.697 -14.701 0.531 1.00 10.00 H new ATOM 0 HG23 ILE B 7 3.939 -14.917 0.709 1.00 10.00 H new ATOM 0 HD11 ILE B 7 1.227 -15.301 -1.566 1.00 10.00 H new ATOM 0 HD12 ILE B 7 2.224 -15.174 -0.097 1.00 10.00 H new ATOM 0 HD13 ILE B 7 2.016 -13.759 -1.155 1.00 10.00 H new ATOM 880 N PRO B 8 5.600 -11.161 -0.520 1.00 10.00 N ATOM 881 CA PRO B 8 6.773 -10.369 -0.075 1.00 10.00 C ATOM 882 C PRO B 8 7.220 -10.807 1.324 1.00 10.00 C ATOM 883 O PRO B 8 6.484 -10.673 2.281 1.00 10.00 O ATOM 884 CB PRO B 8 6.255 -8.938 -0.063 1.00 10.00 C ATOM 885 CG PRO B 8 4.783 -9.069 0.105 1.00 10.00 C ATOM 886 CD PRO B 8 4.378 -10.358 -0.556 1.00 10.00 C ATOM 0 HA PRO B 8 7.644 -10.494 -0.719 1.00 10.00 H new ATOM 0 HB2 PRO B 8 6.697 -8.364 0.752 1.00 10.00 H new ATOM 0 HB3 PRO B 8 6.503 -8.420 -0.989 1.00 10.00 H new ATOM 0 HG2 PRO B 8 4.515 -9.076 1.161 1.00 10.00 H new ATOM 0 HG3 PRO B 8 4.266 -8.224 -0.349 1.00 10.00 H new ATOM 0 HD2 PRO B 8 3.563 -10.844 -0.021 1.00 10.00 H new ATOM 0 HD3 PRO B 8 4.036 -10.194 -1.578 1.00 10.00 H new ATOM 894 N PRO B 9 8.414 -11.332 1.390 1.00 10.00 N ATOM 895 CA PRO B 9 8.966 -11.813 2.678 1.00 10.00 C ATOM 896 C PRO B 9 9.443 -10.652 3.551 1.00 10.00 C ATOM 897 O PRO B 9 10.329 -9.905 3.186 1.00 10.00 O ATOM 898 CB PRO B 9 10.140 -12.689 2.259 1.00 10.00 C ATOM 899 CG PRO B 9 10.557 -12.171 0.915 1.00 10.00 C ATOM 900 CD PRO B 9 9.350 -11.530 0.278 1.00 10.00 C ATOM 0 HA PRO B 9 8.225 -12.344 3.276 1.00 10.00 H new ATOM 0 HB2 PRO B 9 10.957 -12.623 2.977 1.00 10.00 H new ATOM 0 HB3 PRO B 9 9.849 -13.738 2.204 1.00 10.00 H new ATOM 0 HG2 PRO B 9 11.365 -11.447 1.018 1.00 10.00 H new ATOM 0 HG3 PRO B 9 10.933 -12.982 0.292 1.00 10.00 H new ATOM 0 HD2 PRO B 9 9.607 -10.584 -0.198 1.00 10.00 H new ATOM 0 HD3 PRO B 9 8.921 -12.169 -0.494 1.00 10.00 H new ATOM 908 N GLY B 10 8.861 -10.505 4.712 1.00 10.00 N ATOM 909 CA GLY B 10 9.271 -9.404 5.627 1.00 10.00 C ATOM 910 C GLY B 10 9.459 -8.112 4.833 1.00 10.00 C ATOM 911 O GLY B 10 10.096 -7.182 5.287 1.00 10.00 O ATOM 0 H GLY B 10 8.115 -11.104 5.066 1.00 10.00 H new ATOM 0 HA2 GLY B 10 8.515 -9.260 6.399 1.00 10.00 H new ATOM 0 HA3 GLY B 10 10.199 -9.668 6.135 1.00 10.00 H new ATOM 915 N LEU B 11 8.909 -8.039 3.653 1.00 10.00 N ATOM 916 CA LEU B 11 9.065 -6.795 2.844 1.00 10.00 C ATOM 917 C LEU B 11 8.226 -5.668 3.449 1.00 10.00 C ATOM 918 O LEU B 11 8.699 -4.567 3.650 1.00 10.00 O ATOM 919 CB LEU B 11 8.547 -7.156 1.455 1.00 10.00 C ATOM 920 CG LEU B 11 8.709 -5.956 0.521 1.00 10.00 C ATOM 921 CD1 LEU B 11 9.949 -6.151 -0.352 1.00 10.00 C ATOM 922 CD2 LEU B 11 7.471 -5.838 -0.370 1.00 10.00 C ATOM 0 H LEU B 11 8.362 -8.780 3.215 1.00 10.00 H new ATOM 0 HA LEU B 11 10.098 -6.448 2.816 1.00 10.00 H new ATOM 0 HB2 LEU B 11 9.095 -8.012 1.062 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.498 -7.447 1.511 1.00 10.00 H new ATOM 0 HG LEU B 11 8.822 -5.047 1.112 1.00 10.00 H new ATOM 0 HD11 LEU B 11 10.064 -5.295 -1.017 1.00 10.00 H new ATOM 0 HD12 LEU B 11 10.831 -6.238 0.283 1.00 10.00 H new ATOM 0 HD13 LEU B 11 9.838 -7.059 -0.945 1.00 10.00 H new ATOM 0 HD21 LEU B 11 7.583 -4.983 -1.037 1.00 10.00 H new ATOM 0 HD22 LEU B 11 7.360 -6.747 -0.961 1.00 10.00 H new ATOM 0 HD23 LEU B 11 6.587 -5.699 0.252 1.00 10.00 H new ATOM 934 N THR B 12 6.982 -5.934 3.737 1.00 10.00 N ATOM 935 CA THR B 12 6.110 -4.879 4.327 1.00 10.00 C ATOM 936 C THR B 12 6.750 -4.315 5.597 1.00 10.00 C ATOM 937 O THR B 12 6.507 -3.188 5.975 1.00 10.00 O ATOM 938 CB THR B 12 4.793 -5.592 4.650 1.00 10.00 C ATOM 939 OG1 THR B 12 3.972 -5.611 3.492 1.00 10.00 O ATOM 940 CG2 THR B 12 4.069 -4.854 5.778 1.00 10.00 C ATOM 0 H THR B 12 6.531 -6.837 3.589 1.00 10.00 H new ATOM 0 HA THR B 12 5.960 -4.037 3.652 1.00 10.00 H new ATOM 0 HB THR B 12 5.003 -6.614 4.966 1.00 10.00 H new ATOM 0 HG1 THR B 12 3.129 -6.068 3.696 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.133 -5.364 6.005 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.699 -4.840 6.667 1.00 10.00 H new ATOM 0 HG23 THR B 12 3.858 -3.831 5.467 1.00 10.00 H new ATOM 948 N GLU B 13 7.564 -5.091 6.258 1.00 10.00 N ATOM 949 CA GLU B 13 8.216 -4.596 7.506 1.00 10.00 C ATOM 950 C GLU B 13 9.312 -3.583 7.166 1.00 10.00 C ATOM 951 O GLU B 13 9.222 -2.420 7.504 1.00 10.00 O ATOM 952 CB GLU B 13 8.823 -5.840 8.156 1.00 10.00 C ATOM 953 CG GLU B 13 7.866 -6.376 9.221 1.00 10.00 C ATOM 954 CD GLU B 13 8.251 -7.814 9.579 1.00 10.00 C ATOM 955 OE1 GLU B 13 9.433 -8.114 9.549 1.00 10.00 O ATOM 956 OE2 GLU B 13 7.356 -8.588 9.874 1.00 10.00 O ATOM 0 H GLU B 13 7.806 -6.045 5.990 1.00 10.00 H new ATOM 0 HA GLU B 13 7.511 -4.092 8.167 1.00 10.00 H new ATOM 0 HB2 GLU B 13 9.009 -6.604 7.401 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.785 -5.596 8.606 1.00 10.00 H new ATOM 0 HG2 GLU B 13 7.905 -5.746 10.110 1.00 10.00 H new ATOM 0 HG3 GLU B 13 6.841 -6.344 8.852 1.00 10.00 H new ATOM 963 N LEU B 14 10.348 -4.016 6.503 1.00 10.00 N ATOM 964 CA LEU B 14 11.450 -3.079 6.144 1.00 10.00 C ATOM 965 C LEU B 14 10.896 -1.867 5.390 1.00 10.00 C ATOM 966 O LEU B 14 11.338 -0.752 5.579 1.00 10.00 O ATOM 967 CB LEU B 14 12.379 -3.895 5.244 1.00 10.00 C ATOM 968 CG LEU B 14 13.649 -4.264 6.015 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.276 -4.850 7.381 1.00 10.00 C ATOM 970 CD2 LEU B 14 14.439 -5.306 5.218 1.00 10.00 C ATOM 0 H LEU B 14 10.480 -4.979 6.194 1.00 10.00 H new ATOM 0 HA LEU B 14 11.966 -2.691 7.022 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.872 -4.798 4.905 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.636 -3.321 4.354 1.00 10.00 H new ATOM 0 HG LEU B 14 14.255 -3.370 6.159 1.00 10.00 H new ATOM 0 HD11 LEU B 14 14.184 -5.111 7.925 1.00 10.00 H new ATOM 0 HD12 LEU B 14 12.710 -4.113 7.951 1.00 10.00 H new ATOM 0 HD13 LEU B 14 12.668 -5.744 7.240 1.00 10.00 H new ATOM 0 HD21 LEU B 14 15.344 -5.572 5.764 1.00 10.00 H new ATOM 0 HD22 LEU B 14 13.827 -6.196 5.076 1.00 10.00 H new ATOM 0 HD23 LEU B 14 14.709 -4.893 4.246 1.00 10.00 H new ATOM 982 N LEU B 15 9.931 -2.075 4.537 1.00 10.00 N ATOM 983 CA LEU B 15 9.354 -0.930 3.776 1.00 10.00 C ATOM 984 C LEU B 15 8.622 0.020 4.727 1.00 10.00 C ATOM 985 O LEU B 15 8.878 1.208 4.748 1.00 10.00 O ATOM 986 CB LEU B 15 8.376 -1.560 2.784 1.00 10.00 C ATOM 987 CG LEU B 15 8.868 -1.309 1.356 1.00 10.00 C ATOM 988 CD1 LEU B 15 10.255 -1.929 1.177 1.00 10.00 C ATOM 989 CD2 LEU B 15 7.893 -1.947 0.363 1.00 10.00 C ATOM 0 H LEU B 15 9.518 -2.985 4.334 1.00 10.00 H new ATOM 0 HA LEU B 15 10.121 -0.343 3.270 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.293 -2.631 2.969 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.381 -1.135 2.918 1.00 10.00 H new ATOM 0 HG LEU B 15 8.924 -0.236 1.174 1.00 10.00 H new ATOM 0 HD11 LEU B 15 10.605 -1.750 0.160 1.00 10.00 H new ATOM 0 HD12 LEU B 15 10.950 -1.477 1.885 1.00 10.00 H new ATOM 0 HD13 LEU B 15 10.200 -3.002 1.358 1.00 10.00 H new ATOM 0 HD21 LEU B 15 8.242 -1.769 -0.654 1.00 10.00 H new ATOM 0 HD22 LEU B 15 7.838 -3.020 0.546 1.00 10.00 H new ATOM 0 HD23 LEU B 15 6.904 -1.506 0.490 1.00 10.00 H new ATOM 1001 N GLN B 16 7.717 -0.489 5.519 1.00 10.00 N ATOM 1002 CA GLN B 16 6.981 0.396 6.466 1.00 10.00 C ATOM 1003 C GLN B 16 7.960 1.363 7.134 1.00 10.00 C ATOM 1004 O GLN B 16 7.736 2.555 7.181 1.00 10.00 O ATOM 1005 CB GLN B 16 6.366 -0.543 7.504 1.00 10.00 C ATOM 1006 CG GLN B 16 4.882 -0.214 7.677 1.00 10.00 C ATOM 1007 CD GLN B 16 4.360 -0.869 8.956 1.00 10.00 C ATOM 1008 OE1 GLN B 16 5.031 -0.871 9.969 1.00 10.00 O ATOM 1009 NE2 GLN B 16 3.181 -1.428 8.953 1.00 10.00 N ATOM 0 H GLN B 16 7.457 -1.475 5.551 1.00 10.00 H new ATOM 0 HA GLN B 16 6.220 0.995 5.966 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.485 -1.579 7.188 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.886 -0.439 8.457 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.741 0.866 7.725 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.317 -0.571 6.816 1.00 10.00 H new ATOM 0 HE21 GLN B 16 2.618 -1.426 8.103 1.00 10.00 H new ATOM 0 HE22 GLN B 16 2.822 -1.867 9.801 1.00 10.00 H new ATOM 1018 N GLY B 17 9.050 0.855 7.643 1.00 10.00 N ATOM 1019 CA GLY B 17 10.047 1.746 8.298 1.00 10.00 C ATOM 1020 C GLY B 17 10.408 2.877 7.338 1.00 10.00 C ATOM 1021 O GLY B 17 10.213 4.038 7.632 1.00 10.00 O ATOM 0 H GLY B 17 9.292 -0.136 7.633 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.638 2.153 9.223 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.939 1.180 8.566 1.00 10.00 H new ATOM 1025 N TYR B 18 10.927 2.545 6.186 1.00 10.00 N ATOM 1026 CA TYR B 18 11.294 3.603 5.203 1.00 10.00 C ATOM 1027 C TYR B 18 10.204 4.676 5.158 1.00 10.00 C ATOM 1028 O TYR B 18 10.475 5.855 5.269 1.00 10.00 O ATOM 1029 CB TYR B 18 11.394 2.880 3.859 1.00 10.00 C ATOM 1030 CG TYR B 18 12.553 3.445 3.078 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.771 3.692 3.722 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.409 3.727 1.714 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.846 4.224 3.002 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.487 4.257 0.994 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.705 4.505 1.638 1.00 10.00 C ATOM 1036 OH TYR B 18 15.764 5.031 0.931 1.00 10.00 O ATOM 0 H TYR B 18 11.112 1.588 5.884 1.00 10.00 H new ATOM 0 HA TYR B 18 12.226 4.105 5.462 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.533 1.811 4.017 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.468 3.001 3.297 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.881 3.472 4.774 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.469 3.536 1.218 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.785 4.418 3.499 1.00 10.00 H new ATOM 0 HE2 TYR B 18 13.379 4.474 -0.058 1.00 10.00 H new ATOM 0 HH TYR B 18 16.030 5.886 1.329 1.00 10.00 H new ATOM 1046 N THR B 19 8.973 4.276 5.003 1.00 10.00 N ATOM 1047 CA THR B 19 7.864 5.271 4.959 1.00 10.00 C ATOM 1048 C THR B 19 7.853 6.090 6.252 1.00 10.00 C ATOM 1049 O THR B 19 7.435 7.230 6.278 1.00 10.00 O ATOM 1050 CB THR B 19 6.589 4.431 4.831 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.286 4.245 3.456 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.420 5.142 5.519 1.00 10.00 C ATOM 0 H THR B 19 8.686 3.302 4.905 1.00 10.00 H new ATOM 0 HA THR B 19 7.963 5.979 4.136 1.00 10.00 H new ATOM 0 HB THR B 19 6.748 3.464 5.309 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.472 3.706 3.370 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.519 4.537 5.422 1.00 10.00 H new ATOM 0 HG22 THR B 19 5.651 5.283 6.575 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.258 6.112 5.050 1.00 10.00 H new ATOM 1060 N VAL B 20 8.309 5.521 7.329 1.00 10.00 N ATOM 1061 CA VAL B 20 8.318 6.279 8.608 1.00 10.00 C ATOM 1062 C VAL B 20 9.597 7.109 8.720 1.00 10.00 C ATOM 1063 O VAL B 20 9.666 8.059 9.471 1.00 10.00 O ATOM 1064 CB VAL B 20 8.263 5.218 9.705 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.238 5.900 11.075 1.00 10.00 C ATOM 1066 CG2 VAL B 20 6.999 4.375 9.532 1.00 10.00 C ATOM 0 H VAL B 20 8.674 4.570 7.380 1.00 10.00 H new ATOM 0 HA VAL B 20 7.482 6.975 8.680 1.00 10.00 H new ATOM 0 HB VAL B 20 9.142 4.577 9.636 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.199 5.143 11.858 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.138 6.503 11.198 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.359 6.541 11.146 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.957 3.617 10.314 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.121 5.017 9.602 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.016 3.889 8.556 1.00 10.00 H new ATOM 1076 N GLU B 21 10.608 6.769 7.970 1.00 10.00 N ATOM 1077 CA GLU B 21 11.873 7.558 8.037 1.00 10.00 C ATOM 1078 C GLU B 21 11.865 8.609 6.931 1.00 10.00 C ATOM 1079 O GLU B 21 12.149 9.768 7.150 1.00 10.00 O ATOM 1080 CB GLU B 21 13.013 6.563 7.805 1.00 10.00 C ATOM 1081 CG GLU B 21 12.502 5.143 8.010 1.00 10.00 C ATOM 1082 CD GLU B 21 13.667 4.224 8.381 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.174 4.357 9.483 1.00 10.00 O ATOM 1084 OE2 GLU B 21 14.033 3.402 7.556 1.00 10.00 O ATOM 0 H GLU B 21 10.615 5.985 7.318 1.00 10.00 H new ATOM 0 HA GLU B 21 11.985 8.067 8.994 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.408 6.676 6.795 1.00 10.00 H new ATOM 0 HB3 GLU B 21 13.833 6.768 8.493 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.749 5.127 8.798 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.019 4.785 7.101 1.00 10.00 H new ATOM 1091 N VAL B 22 11.531 8.200 5.741 1.00 10.00 N ATOM 1092 CA VAL B 22 11.491 9.155 4.604 1.00 10.00 C ATOM 1093 C VAL B 22 10.466 10.257 4.881 1.00 10.00 C ATOM 1094 O VAL B 22 10.690 11.413 4.585 1.00 10.00 O ATOM 1095 CB VAL B 22 11.068 8.312 3.403 1.00 10.00 C ATOM 1096 CG1 VAL B 22 11.054 9.182 2.149 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.059 7.162 3.207 1.00 10.00 C ATOM 0 H VAL B 22 11.283 7.239 5.507 1.00 10.00 H new ATOM 0 HA VAL B 22 12.448 9.649 4.438 1.00 10.00 H new ATOM 0 HB VAL B 22 10.071 7.908 3.581 1.00 10.00 H new ATOM 0 HG11 VAL B 22 10.752 8.580 1.292 1.00 10.00 H new ATOM 0 HG12 VAL B 22 10.349 10.002 2.283 1.00 10.00 H new ATOM 0 HG13 VAL B 22 12.051 9.586 1.975 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.755 6.562 2.349 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.056 7.567 3.032 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.073 6.537 4.100 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.342 9.908 5.449 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.309 10.941 5.743 1.00 10.00 C ATOM 1109 C LEU B 23B 8.578 11.589 7.106 1.00 10.00 C ATOM 1110 O LEU B 23B 8.240 12.733 7.336 1.00 10.00 O ATOM 1111 CB LEU B 23B 6.980 10.184 5.756 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.601 9.779 4.328 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 6.829 10.957 3.379 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 7.468 8.600 3.885 1.00 10.00 C ATOM 0 H LEU B 23B 9.096 8.956 5.721 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.309 11.745 5.007 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.061 9.298 6.386 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 6.198 10.810 6.186 1.00 10.00 H new ATOM 0 HG LEU B 23B 5.550 9.492 4.304 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 6.558 10.665 2.364 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 6.212 11.800 3.691 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 7.879 11.247 3.405 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 7.198 8.312 2.869 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 8.518 8.890 3.913 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 7.306 7.757 4.556 1.00 10.00 H new ATOM 1126 N ARG B 24 9.186 10.868 8.009 1.00 10.00 N ATOM 1127 CA ARG B 24 9.477 11.451 9.352 1.00 10.00 C ATOM 1128 C ARG B 24 10.955 11.844 9.451 1.00 10.00 C ATOM 1129 O ARG B 24 11.538 11.841 10.516 1.00 10.00 O ATOM 1130 CB ARG B 24 9.148 10.337 10.347 1.00 10.00 C ATOM 1131 CG ARG B 24 8.514 10.937 11.603 1.00 10.00 C ATOM 1132 CD ARG B 24 9.475 11.946 12.235 1.00 10.00 C ATOM 1133 NE ARG B 24 8.637 12.728 13.187 1.00 10.00 N ATOM 1134 CZ ARG B 24 8.173 12.159 14.266 1.00 10.00 C ATOM 1135 NH1 ARG B 24 8.939 11.373 14.972 1.00 10.00 N ATOM 1136 NH2 ARG B 24 6.941 12.376 14.639 1.00 10.00 N ATOM 0 H ARG B 24 9.493 9.904 7.877 1.00 10.00 H new ATOM 0 HA ARG B 24 8.897 12.353 9.545 1.00 10.00 H new ATOM 0 HB2 ARG B 24 8.466 9.619 9.891 1.00 10.00 H new ATOM 0 HB3 ARG B 24 10.055 9.792 10.610 1.00 10.00 H new ATOM 0 HG2 ARG B 24 7.574 11.426 11.349 1.00 10.00 H new ATOM 0 HG3 ARG B 24 8.280 10.147 12.317 1.00 10.00 H new ATOM 0 HD2 ARG B 24 10.294 11.443 12.750 1.00 10.00 H new ATOM 0 HD3 ARG B 24 9.923 12.592 11.480 1.00 10.00 H new ATOM 0 HE ARG B 24 8.426 13.707 12.996 1.00 10.00 H new ATOM 0 HH11 ARG B 24 9.902 11.203 14.681 1.00 10.00 H new ATOM 0 HH12 ARG B 24 8.575 10.929 15.815 1.00 10.00 H new ATOM 0 HH21 ARG B 24 6.342 12.990 14.087 1.00 10.00 H new ATOM 0 HH22 ARG B 24 6.578 11.932 15.482 1.00 10.00 H new ATOM 1150 N GLN B 25 11.564 12.183 8.348 1.00 10.00 N ATOM 1151 CA GLN B 25 13.002 12.578 8.383 1.00 10.00 C ATOM 1152 C GLN B 25 13.479 12.972 6.978 1.00 10.00 C ATOM 1153 O GLN B 25 14.642 12.849 6.653 1.00 10.00 O ATOM 1154 CB GLN B 25 13.740 11.337 8.912 1.00 10.00 C ATOM 1155 CG GLN B 25 14.464 10.602 7.777 1.00 10.00 C ATOM 1156 CD GLN B 25 15.940 11.013 7.759 1.00 10.00 C ATOM 1157 OE1 GLN B 25 16.294 12.152 8.291 1.00 10.00 O flip ATOM 1158 NE2 GLN B 25 16.778 10.290 7.258 1.00 10.00 N flip ATOM 0 H GLN B 25 11.130 12.204 7.425 1.00 10.00 H new ATOM 0 HA GLN B 25 13.187 13.446 9.016 1.00 10.00 H new ATOM 0 HB2 GLN B 25 14.460 11.635 9.674 1.00 10.00 H new ATOM 0 HB3 GLN B 25 13.029 10.664 9.391 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.378 9.524 7.915 1.00 10.00 H new ATOM 0 HG3 GLN B 25 13.998 10.840 6.821 1.00 10.00 H new ATOM 0 HE21 GLN B 25 16.501 9.400 6.843 1.00 10.00 H new ATOM 0 HE22 GLN B 25 17.758 10.573 7.253 1.00 10.00 H new ATOM 1167 N GLN B 26 12.582 13.449 6.150 1.00 10.00 N ATOM 1168 CA GLN B 26 12.960 13.859 4.760 1.00 10.00 C ATOM 1169 C GLN B 26 14.482 13.944 4.605 1.00 10.00 C ATOM 1170 O GLN B 26 15.068 14.991 4.787 1.00 10.00 O ATOM 1171 CB GLN B 26 12.328 15.238 4.574 1.00 10.00 C ATOM 1172 CG GLN B 26 10.984 15.093 3.857 1.00 10.00 C ATOM 1173 CD GLN B 26 11.111 15.611 2.424 1.00 10.00 C ATOM 1174 OE1 GLN B 26 12.181 15.997 1.997 1.00 10.00 O ATOM 1175 NE2 GLN B 26 10.055 15.637 1.657 1.00 10.00 N ATOM 0 H GLN B 26 11.596 13.573 6.379 1.00 10.00 H new ATOM 0 HA GLN B 26 12.615 13.139 4.018 1.00 10.00 H new ATOM 0 HB2 GLN B 26 12.185 15.718 5.542 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.993 15.879 3.996 1.00 10.00 H new ATOM 0 HG2 GLN B 26 10.674 14.048 3.851 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.214 15.651 4.390 1.00 10.00 H new ATOM 0 HE21 GLN B 26 9.157 15.313 2.015 1.00 10.00 H new ATOM 0 HE22 GLN B 26 10.128 15.981 0.700 1.00 10.00 H new ATOM 1184 N PRO B 27 15.068 12.825 4.273 1.00 10.00 N ATOM 1185 CA PRO B 27 16.538 12.755 4.091 1.00 10.00 C ATOM 1186 C PRO B 27 16.966 13.523 2.838 1.00 10.00 C ATOM 1187 O PRO B 27 16.145 13.878 2.015 1.00 10.00 O ATOM 1188 CB PRO B 27 16.809 11.260 3.933 1.00 10.00 C ATOM 1189 CG PRO B 27 15.519 10.691 3.439 1.00 10.00 C ATOM 1190 CD PRO B 27 14.424 11.532 4.039 1.00 10.00 C ATOM 0 HA PRO B 27 17.091 13.200 4.918 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.619 11.077 3.227 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.104 10.809 4.880 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.475 10.716 2.350 1.00 10.00 H new ATOM 0 HG3 PRO B 27 15.415 9.648 3.738 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.574 11.625 3.363 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.048 11.098 4.966 1.00 10.00 H new ATOM 1198 N PRO B 28 18.246 13.754 2.739 1.00 10.00 N ATOM 1199 CA PRO B 28 18.805 14.486 1.579 1.00 10.00 C ATOM 1200 C PRO B 28 18.708 13.637 0.307 1.00 10.00 C ATOM 1201 O PRO B 28 18.529 14.148 -0.780 1.00 10.00 O ATOM 1202 CB PRO B 28 20.264 14.717 1.968 1.00 10.00 C ATOM 1203 CG PRO B 28 20.568 13.637 2.953 1.00 10.00 C ATOM 1204 CD PRO B 28 19.286 13.357 3.690 1.00 10.00 C ATOM 0 HA PRO B 28 18.273 15.413 1.364 1.00 10.00 H new ATOM 0 HB2 PRO B 28 20.920 14.657 1.099 1.00 10.00 H new ATOM 0 HB3 PRO B 28 20.405 15.705 2.407 1.00 10.00 H new ATOM 0 HG2 PRO B 28 20.928 12.741 2.447 1.00 10.00 H new ATOM 0 HG3 PRO B 28 21.351 13.951 3.643 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.201 12.304 3.960 1.00 10.00 H new ATOM 0 HD3 PRO B 28 19.223 13.930 4.615 1.00 10.00 H new ATOM 1212 N ASP B 29 18.823 12.343 0.435 1.00 10.00 N ATOM 1213 CA ASP B 29 18.737 11.463 -0.767 1.00 10.00 C ATOM 1214 C ASP B 29 18.011 10.160 -0.421 1.00 10.00 C ATOM 1215 O ASP B 29 18.316 9.510 0.558 1.00 10.00 O ATOM 1216 CB ASP B 29 20.189 11.180 -1.154 1.00 10.00 C ATOM 1217 CG ASP B 29 20.639 12.181 -2.220 1.00 10.00 C ATOM 1218 OD1 ASP B 29 20.273 13.340 -2.109 1.00 10.00 O ATOM 1219 OD2 ASP B 29 21.341 11.771 -3.129 1.00 10.00 O ATOM 0 H ASP B 29 18.973 11.857 1.319 1.00 10.00 H new ATOM 0 HA ASP B 29 18.180 11.929 -1.580 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.831 11.254 -0.276 1.00 10.00 H new ATOM 0 HB3 ASP B 29 20.284 10.162 -1.533 1.00 10.00 H new ATOM 1224 N LEU B 30 17.051 9.775 -1.216 1.00 10.00 N ATOM 1225 CA LEU B 30 16.307 8.513 -0.930 1.00 10.00 C ATOM 1226 C LEU B 30 17.148 7.302 -1.336 1.00 10.00 C ATOM 1227 O LEU B 30 17.634 6.566 -0.500 1.00 10.00 O ATOM 1228 CB LEU B 30 15.040 8.604 -1.780 1.00 10.00 C ATOM 1229 CG LEU B 30 13.833 8.165 -0.952 1.00 10.00 C ATOM 1230 CD1 LEU B 30 14.029 6.719 -0.499 1.00 10.00 C ATOM 1231 CD2 LEU B 30 13.702 9.069 0.276 1.00 10.00 C ATOM 0 H LEU B 30 16.749 10.278 -2.050 1.00 10.00 H new ATOM 0 HA LEU B 30 16.078 8.395 0.129 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.899 9.626 -2.133 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.137 7.973 -2.663 1.00 10.00 H new ATOM 0 HG LEU B 30 12.929 8.239 -1.557 1.00 10.00 H new ATOM 0 HD11 LEU B 30 13.169 6.403 0.092 1.00 10.00 H new ATOM 0 HD12 LEU B 30 14.126 6.074 -1.372 1.00 10.00 H new ATOM 0 HD13 LEU B 30 14.932 6.647 0.107 1.00 10.00 H new ATOM 0 HD21 LEU B 30 12.841 8.757 0.867 1.00 10.00 H new ATOM 0 HD22 LEU B 30 14.605 8.993 0.882 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.566 10.102 -0.045 1.00 10.00 H new ATOM 1243 N VAL B 31 17.333 7.090 -2.613 1.00 10.00 N ATOM 1244 CA VAL B 31 18.156 5.928 -3.062 1.00 10.00 C ATOM 1245 C VAL B 31 19.325 5.736 -2.104 1.00 10.00 C ATOM 1246 O VAL B 31 19.430 4.740 -1.415 1.00 10.00 O ATOM 1247 CB VAL B 31 18.677 6.321 -4.441 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.362 5.119 -5.093 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.505 6.771 -5.313 1.00 10.00 C ATOM 0 H VAL B 31 16.952 7.669 -3.362 1.00 10.00 H new ATOM 0 HA VAL B 31 17.587 4.999 -3.088 1.00 10.00 H new ATOM 0 HB VAL B 31 19.395 7.135 -4.340 1.00 10.00 H new ATOM 0 HG11 VAL B 31 19.733 5.402 -6.078 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.196 4.793 -4.471 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.646 4.304 -5.196 1.00 10.00 H new ATOM 0 HG21 VAL B 31 17.873 7.053 -6.300 1.00 10.00 H new ATOM 0 HG22 VAL B 31 16.790 5.954 -5.412 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.015 7.628 -4.850 1.00 10.00 H new ATOM 1259 N ASP B 32 20.197 6.699 -2.052 1.00 10.00 N ATOM 1260 CA ASP B 32 21.360 6.609 -1.136 1.00 10.00 C ATOM 1261 C ASP B 32 20.871 6.288 0.277 1.00 10.00 C ATOM 1262 O ASP B 32 21.414 5.436 0.952 1.00 10.00 O ATOM 1263 CB ASP B 32 21.992 7.996 -1.201 1.00 10.00 C ATOM 1264 CG ASP B 32 23.512 7.872 -1.095 1.00 10.00 C ATOM 1265 OD1 ASP B 32 23.968 6.932 -0.466 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.196 8.722 -1.643 1.00 10.00 O ATOM 0 H ASP B 32 20.152 7.552 -2.610 1.00 10.00 H new ATOM 0 HA ASP B 32 22.069 5.827 -1.407 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.721 8.487 -2.136 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.610 8.619 -0.392 1.00 10.00 H new ATOM 1271 N PHE B 33 19.836 6.949 0.723 1.00 10.00 N ATOM 1272 CA PHE B 33 19.306 6.659 2.085 1.00 10.00 C ATOM 1273 C PHE B 33 18.972 5.171 2.180 1.00 10.00 C ATOM 1274 O PHE B 33 19.520 4.449 2.988 1.00 10.00 O ATOM 1275 CB PHE B 33 18.044 7.512 2.221 1.00 10.00 C ATOM 1276 CG PHE B 33 17.223 7.034 3.396 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.820 6.283 4.417 1.00 10.00 C ATOM 1278 CD2 PHE B 33 15.860 7.349 3.467 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.055 5.847 5.506 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.095 6.913 4.556 1.00 10.00 C ATOM 1281 CZ PHE B 33 15.693 6.162 5.575 1.00 10.00 C ATOM 0 H PHE B 33 19.338 7.673 0.206 1.00 10.00 H new ATOM 0 HA PHE B 33 20.020 6.889 2.876 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.315 8.559 2.358 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.454 7.453 1.306 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.871 6.040 4.364 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.399 7.929 2.681 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.516 5.268 6.292 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.044 7.156 4.610 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.103 5.826 6.415 1.00 10.00 H new ATOM 1291 N ALA B 34 18.086 4.705 1.343 1.00 10.00 N ATOM 1292 CA ALA B 34 17.731 3.260 1.370 1.00 10.00 C ATOM 1293 C ALA B 34 19.011 2.428 1.425 1.00 10.00 C ATOM 1294 O ALA B 34 19.044 1.348 1.977 1.00 10.00 O ATOM 1295 CB ALA B 34 16.987 3.006 0.057 1.00 10.00 C ATOM 0 H ALA B 34 17.594 5.262 0.644 1.00 10.00 H new ATOM 0 HA ALA B 34 17.124 2.992 2.234 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.692 1.958 0.003 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.099 3.636 0.014 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.640 3.242 -0.783 1.00 10.00 H new ATOM 1301 N VAL B 35 20.069 2.931 0.853 1.00 10.00 N ATOM 1302 CA VAL B 35 21.350 2.191 0.863 1.00 10.00 C ATOM 1303 C VAL B 35 22.069 2.412 2.196 1.00 10.00 C ATOM 1304 O VAL B 35 22.302 1.487 2.948 1.00 10.00 O ATOM 1305 CB VAL B 35 22.136 2.802 -0.293 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.628 2.618 -0.050 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.734 2.114 -1.596 1.00 10.00 C ATOM 0 H VAL B 35 20.096 3.832 0.376 1.00 10.00 H new ATOM 0 HA VAL B 35 21.227 1.114 0.753 1.00 10.00 H new ATOM 0 HB VAL B 35 21.915 3.867 -0.363 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.188 3.055 -0.877 1.00 10.00 H new ATOM 0 HG12 VAL B 35 23.909 3.112 0.880 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.857 1.555 0.021 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.294 2.548 -2.424 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.954 1.049 -1.528 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.667 2.254 -1.767 1.00 10.00 H new ATOM 1317 N GLU B 36 22.419 3.633 2.493 1.00 10.00 N ATOM 1318 CA GLU B 36 23.123 3.918 3.775 1.00 10.00 C ATOM 1319 C GLU B 36 22.415 3.216 4.941 1.00 10.00 C ATOM 1320 O GLU B 36 23.047 2.691 5.836 1.00 10.00 O ATOM 1321 CB GLU B 36 23.056 5.443 3.924 1.00 10.00 C ATOM 1322 CG GLU B 36 22.400 5.816 5.256 1.00 10.00 C ATOM 1323 CD GLU B 36 22.329 7.339 5.382 1.00 10.00 C ATOM 1324 OE1 GLU B 36 23.224 7.997 4.877 1.00 10.00 O ATOM 1325 OE2 GLU B 36 21.382 7.821 5.980 1.00 10.00 O ATOM 0 H GLU B 36 22.248 4.447 1.902 1.00 10.00 H new ATOM 0 HA GLU B 36 24.151 3.555 3.778 1.00 10.00 H new ATOM 0 HB2 GLU B 36 24.060 5.865 3.874 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.488 5.872 3.098 1.00 10.00 H new ATOM 0 HG2 GLU B 36 21.399 5.389 5.312 1.00 10.00 H new ATOM 0 HG3 GLU B 36 22.972 5.398 6.085 1.00 10.00 H new ATOM 1332 N TYR B 37 21.111 3.210 4.940 1.00 10.00 N ATOM 1333 CA TYR B 37 20.370 2.549 6.053 1.00 10.00 C ATOM 1334 C TYR B 37 20.401 1.026 5.890 1.00 10.00 C ATOM 1335 O TYR B 37 20.925 0.314 6.723 1.00 10.00 O ATOM 1336 CB TYR B 37 18.939 3.073 5.941 1.00 10.00 C ATOM 1337 CG TYR B 37 18.059 2.352 6.933 1.00 10.00 C ATOM 1338 CD1 TYR B 37 18.187 2.617 8.303 1.00 10.00 C ATOM 1339 CD2 TYR B 37 17.115 1.420 6.486 1.00 10.00 C ATOM 1340 CE1 TYR B 37 17.371 1.948 9.224 1.00 10.00 C ATOM 1341 CE2 TYR B 37 16.300 0.751 7.407 1.00 10.00 C ATOM 1342 CZ TYR B 37 16.428 1.015 8.776 1.00 10.00 C ATOM 1343 OH TYR B 37 15.625 0.355 9.682 1.00 10.00 O ATOM 0 H TYR B 37 20.527 3.633 4.219 1.00 10.00 H new ATOM 0 HA TYR B 37 20.811 2.768 7.026 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.917 4.146 6.132 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.563 2.922 4.929 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.914 3.337 8.649 1.00 10.00 H new ATOM 0 HD2 TYR B 37 17.015 1.217 5.430 1.00 10.00 H new ATOM 0 HE1 TYR B 37 17.469 2.152 10.280 1.00 10.00 H new ATOM 0 HE2 TYR B 37 15.573 0.031 7.061 1.00 10.00 H new ATOM 0 HH TYR B 37 15.026 -0.256 9.204 1.00 10.00 H new ATOM 1353 N PHE B 38 19.838 0.519 4.827 1.00 10.00 N ATOM 1354 CA PHE B 38 19.832 -0.957 4.621 1.00 10.00 C ATOM 1355 C PHE B 38 21.267 -1.502 4.618 1.00 10.00 C ATOM 1356 O PHE B 38 21.554 -2.513 5.227 1.00 10.00 O ATOM 1357 CB PHE B 38 19.164 -1.168 3.260 1.00 10.00 C ATOM 1358 CG PHE B 38 17.700 -0.798 3.345 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.977 -1.037 4.523 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.062 -0.215 2.242 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.621 -0.692 4.595 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.707 0.129 2.315 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.987 -0.109 3.492 1.00 10.00 C ATOM 0 H PHE B 38 19.383 1.062 4.094 1.00 10.00 H new ATOM 0 HA PHE B 38 19.302 -1.482 5.416 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.659 -0.559 2.503 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.268 -2.208 2.951 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.466 -1.487 5.375 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.617 -0.031 1.334 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.065 -0.876 5.502 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.217 0.578 1.464 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.942 0.157 3.549 1.00 10.00 H new ATOM 1373 N THR B 39 22.175 -0.843 3.946 1.00 10.00 N ATOM 1374 CA THR B 39 23.585 -1.338 3.927 1.00 10.00 C ATOM 1375 C THR B 39 24.114 -1.436 5.359 1.00 10.00 C ATOM 1376 O THR B 39 24.663 -2.443 5.762 1.00 10.00 O ATOM 1377 CB THR B 39 24.379 -0.289 3.140 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.174 -0.480 1.747 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.868 -0.429 3.458 1.00 10.00 C ATOM 0 H THR B 39 22.004 0.010 3.413 1.00 10.00 H new ATOM 0 HA THR B 39 23.668 -2.326 3.475 1.00 10.00 H new ATOM 0 HB THR B 39 24.038 0.707 3.423 1.00 10.00 H new ATOM 0 HG1 THR B 39 24.896 -0.045 1.247 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.431 0.317 2.898 1.00 10.00 H new ATOM 0 HG22 THR B 39 26.028 -0.278 4.526 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.208 -1.426 3.177 1.00 10.00 H new ATOM 1387 N ARG B 40 23.951 -0.397 6.129 1.00 10.00 N ATOM 1388 CA ARG B 40 24.441 -0.423 7.535 1.00 10.00 C ATOM 1389 C ARG B 40 23.653 -1.450 8.352 1.00 10.00 C ATOM 1390 O ARG B 40 24.199 -2.149 9.181 1.00 10.00 O ATOM 1391 CB ARG B 40 24.193 0.989 8.065 1.00 10.00 C ATOM 1392 CG ARG B 40 24.364 1.004 9.586 1.00 10.00 C ATOM 1393 CD ARG B 40 25.027 2.315 10.012 1.00 10.00 C ATOM 1394 NE ARG B 40 25.722 2.000 11.291 1.00 10.00 N ATOM 1395 CZ ARG B 40 25.980 2.953 12.144 1.00 10.00 C ATOM 1396 NH1 ARG B 40 25.002 3.617 12.698 1.00 10.00 N ATOM 1397 NH2 ARG B 40 27.217 3.245 12.441 1.00 10.00 N ATOM 0 H ARG B 40 23.498 0.472 5.844 1.00 10.00 H new ATOM 0 HA ARG B 40 25.492 -0.705 7.601 1.00 10.00 H new ATOM 0 HB2 ARG B 40 24.890 1.689 7.604 1.00 10.00 H new ATOM 0 HB3 ARG B 40 23.188 1.317 7.799 1.00 10.00 H new ATOM 0 HG2 ARG B 40 23.394 0.900 10.073 1.00 10.00 H new ATOM 0 HG3 ARG B 40 24.972 0.157 9.903 1.00 10.00 H new ATOM 0 HD2 ARG B 40 25.731 2.665 9.257 1.00 10.00 H new ATOM 0 HD3 ARG B 40 24.288 3.104 10.149 1.00 10.00 H new ATOM 0 HE ARG B 40 25.996 1.040 11.500 1.00 10.00 H new ATOM 0 HH11 ARG B 40 24.035 3.391 12.464 1.00 10.00 H new ATOM 0 HH12 ARG B 40 25.205 4.362 13.365 1.00 10.00 H new ATOM 0 HH21 ARG B 40 27.981 2.728 12.006 1.00 10.00 H new ATOM 0 HH22 ARG B 40 27.419 3.990 13.108 1.00 10.00 H new ATOM 1411 N LEU B 41 22.372 -1.549 8.122 1.00 10.00 N ATOM 1412 CA LEU B 41 21.552 -2.533 8.885 1.00 10.00 C ATOM 1413 C LEU B 41 22.202 -3.919 8.816 1.00 10.00 C ATOM 1414 O LEU B 41 22.265 -4.638 9.793 1.00 10.00 O ATOM 1415 CB LEU B 41 20.188 -2.543 8.183 1.00 10.00 C ATOM 1416 CG LEU B 41 19.054 -2.812 9.187 1.00 10.00 C ATOM 1417 CD1 LEU B 41 18.121 -3.883 8.621 1.00 10.00 C ATOM 1418 CD2 LEU B 41 19.619 -3.299 10.526 1.00 10.00 C ATOM 0 H LEU B 41 21.858 -0.992 7.440 1.00 10.00 H new ATOM 0 HA LEU B 41 21.464 -2.272 9.940 1.00 10.00 H new ATOM 0 HB2 LEU B 41 20.022 -1.586 7.689 1.00 10.00 H new ATOM 0 HB3 LEU B 41 20.180 -3.308 7.406 1.00 10.00 H new ATOM 0 HG LEU B 41 18.508 -1.883 9.351 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.316 -4.076 9.330 1.00 10.00 H new ATOM 0 HD12 LEU B 41 17.698 -3.536 7.678 1.00 10.00 H new ATOM 0 HD13 LEU B 41 18.683 -4.802 8.451 1.00 10.00 H new ATOM 0 HD21 LEU B 41 18.800 -3.483 11.221 1.00 10.00 H new ATOM 0 HD22 LEU B 41 20.178 -4.222 10.371 1.00 10.00 H new ATOM 0 HD23 LEU B 41 20.282 -2.539 10.939 1.00 10.00 H new ATOM 1430 N ARG B 42 22.688 -4.299 7.666 1.00 10.00 N ATOM 1431 CA ARG B 42 23.334 -5.636 7.534 1.00 10.00 C ATOM 1432 C ARG B 42 24.450 -5.791 8.571 1.00 10.00 C ATOM 1433 O ARG B 42 24.863 -6.887 8.893 1.00 10.00 O ATOM 1434 CB ARG B 42 23.910 -5.663 6.118 1.00 10.00 C ATOM 1435 CG ARG B 42 22.795 -5.394 5.108 1.00 10.00 C ATOM 1436 CD ARG B 42 22.237 -6.725 4.599 1.00 10.00 C ATOM 1437 NE ARG B 42 21.426 -7.258 5.728 1.00 10.00 N ATOM 1438 CZ ARG B 42 21.016 -8.497 5.712 1.00 10.00 C ATOM 1439 NH1 ARG B 42 21.667 -9.394 5.023 1.00 10.00 N ATOM 1440 NH2 ARG B 42 19.953 -8.839 6.387 1.00 10.00 N ATOM 0 H ARG B 42 22.666 -3.742 6.812 1.00 10.00 H new ATOM 0 HA ARG B 42 22.630 -6.451 7.702 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.694 -4.912 6.019 1.00 10.00 H new ATOM 0 HB3 ARG B 42 24.369 -6.631 5.919 1.00 10.00 H new ATOM 0 HG2 ARG B 42 22.002 -4.809 5.573 1.00 10.00 H new ATOM 0 HG3 ARG B 42 23.179 -4.806 4.275 1.00 10.00 H new ATOM 0 HD2 ARG B 42 21.627 -6.582 3.707 1.00 10.00 H new ATOM 0 HD3 ARG B 42 23.039 -7.412 4.330 1.00 10.00 H new ATOM 0 HE ARG B 42 21.190 -6.654 6.515 1.00 10.00 H new ATOM 0 HH11 ARG B 42 22.498 -9.127 4.495 1.00 10.00 H new ATOM 0 HH12 ARG B 42 21.345 -10.362 5.012 1.00 10.00 H new ATOM 0 HH21 ARG B 42 19.444 -8.139 6.926 1.00 10.00 H new ATOM 0 HH22 ARG B 42 19.631 -9.807 6.376 1.00 10.00 H new ATOM 1454 N GLU B 43 24.942 -4.701 9.091 1.00 10.00 N ATOM 1455 CA GLU B 43 26.030 -4.785 10.102 1.00 10.00 C ATOM 1456 C GLU B 43 25.508 -4.333 11.471 1.00 10.00 C ATOM 1457 O GLU B 43 26.210 -4.389 12.461 1.00 10.00 O ATOM 1458 CB GLU B 43 27.116 -3.841 9.568 1.00 10.00 C ATOM 1459 CG GLU B 43 27.822 -3.129 10.724 1.00 10.00 C ATOM 1460 CD GLU B 43 28.821 -4.083 11.381 1.00 10.00 C ATOM 1461 OE1 GLU B 43 29.912 -4.220 10.852 1.00 10.00 O ATOM 1462 OE2 GLU B 43 28.481 -4.659 12.400 1.00 10.00 O ATOM 0 H GLU B 43 24.637 -3.756 8.859 1.00 10.00 H new ATOM 0 HA GLU B 43 26.411 -5.796 10.243 1.00 10.00 H new ATOM 0 HB2 GLU B 43 27.842 -4.406 8.983 1.00 10.00 H new ATOM 0 HB3 GLU B 43 26.670 -3.106 8.898 1.00 10.00 H new ATOM 0 HG2 GLU B 43 28.338 -2.242 10.357 1.00 10.00 H new ATOM 0 HG3 GLU B 43 27.090 -2.791 11.458 1.00 10.00 H new ATOM 1469 N ALA B 44 24.282 -3.885 11.534 1.00 10.00 N ATOM 1470 CA ALA B 44 23.717 -3.430 12.841 1.00 10.00 C ATOM 1471 C ALA B 44 24.189 -4.333 13.970 1.00 10.00 C ATOM 1472 O ALA B 44 25.001 -3.955 14.791 1.00 10.00 O ATOM 1473 CB ALA B 44 22.205 -3.572 12.706 1.00 10.00 C ATOM 0 H ALA B 44 23.647 -3.814 10.739 1.00 10.00 H new ATOM 0 HA ALA B 44 24.029 -2.411 13.068 1.00 10.00 H new ATOM 0 HB1 ALA B 44 21.726 -3.254 13.632 1.00 10.00 H new ATOM 0 HB2 ALA B 44 21.853 -2.950 11.883 1.00 10.00 H new ATOM 0 HB3 ALA B 44 21.954 -4.614 12.506 1.00 10.00 H new ATOM 1479 N ARG B 45 23.656 -5.521 14.023 1.00 10.00 N ATOM 1480 CA ARG B 45 24.033 -6.463 15.105 1.00 10.00 C ATOM 1481 C ARG B 45 25.503 -6.275 15.490 1.00 10.00 C ATOM 1482 O ARG B 45 26.380 -6.276 14.648 1.00 10.00 O ATOM 1483 CB ARG B 45 23.797 -7.856 14.517 1.00 10.00 C ATOM 1484 CG ARG B 45 24.577 -8.895 15.327 1.00 10.00 C ATOM 1485 CD ARG B 45 24.192 -8.787 16.804 1.00 10.00 C ATOM 1486 NE ARG B 45 25.333 -9.391 17.542 1.00 10.00 N ATOM 1487 CZ ARG B 45 25.236 -9.621 18.823 1.00 10.00 C ATOM 1488 NH1 ARG B 45 24.072 -9.882 19.353 1.00 10.00 N ATOM 1489 NH2 ARG B 45 26.303 -9.590 19.573 1.00 10.00 N ATOM 0 H ARG B 45 22.971 -5.879 13.357 1.00 10.00 H new ATOM 0 HA ARG B 45 23.452 -6.302 16.013 1.00 10.00 H new ATOM 0 HB2 ARG B 45 22.733 -8.093 14.532 1.00 10.00 H new ATOM 0 HB3 ARG B 45 24.114 -7.880 13.474 1.00 10.00 H new ATOM 0 HG2 ARG B 45 24.361 -9.897 14.957 1.00 10.00 H new ATOM 0 HG3 ARG B 45 25.649 -8.735 15.207 1.00 10.00 H new ATOM 0 HD2 ARG B 45 24.037 -7.749 17.097 1.00 10.00 H new ATOM 0 HD3 ARG B 45 23.263 -9.318 17.010 1.00 10.00 H new ATOM 0 HE ARG B 45 26.193 -9.626 17.046 1.00 10.00 H new ATOM 0 HH11 ARG B 45 23.238 -9.906 18.766 1.00 10.00 H new ATOM 0 HH12 ARG B 45 23.996 -10.062 20.354 1.00 10.00 H new ATOM 0 HH21 ARG B 45 27.212 -9.386 19.158 1.00 10.00 H new ATOM 0 HH22 ARG B 45 26.228 -9.770 20.574 1.00 10.00 H new ATOM 1503 N ARG B 46 25.781 -6.110 16.754 1.00 10.00 N ATOM 1504 CA ARG B 46 27.195 -5.916 17.186 1.00 10.00 C ATOM 1505 C ARG B 46 27.263 -5.733 18.704 1.00 10.00 C ATOM 1506 O ARG B 46 28.329 -5.946 19.260 1.00 10.00 O ATOM 1507 CB ARG B 46 27.652 -4.645 16.465 1.00 10.00 C ATOM 1508 CG ARG B 46 28.881 -4.061 17.164 1.00 10.00 C ATOM 1509 CD ARG B 46 29.126 -2.639 16.654 1.00 10.00 C ATOM 1510 NE ARG B 46 30.584 -2.406 16.840 1.00 10.00 N ATOM 1511 CZ ARG B 46 31.073 -1.204 16.709 1.00 10.00 C ATOM 1512 NH1 ARG B 46 31.068 -0.384 17.724 1.00 10.00 N ATOM 1513 NH2 ARG B 46 31.564 -0.821 15.561 1.00 10.00 N ATOM 1514 OXT ARG B 46 26.250 -5.380 19.285 1.00 10.00 O ATOM 0 H ARG B 46 25.092 -6.101 17.506 1.00 10.00 H new ATOM 0 HA ARG B 46 27.826 -6.771 16.945 1.00 10.00 H new ATOM 0 HB2 ARG B 46 27.888 -4.872 15.425 1.00 10.00 H new ATOM 0 HB3 ARG B 46 26.845 -3.912 16.456 1.00 10.00 H new ATOM 0 HG2 ARG B 46 28.729 -4.051 18.243 1.00 10.00 H new ATOM 0 HG3 ARG B 46 29.754 -4.684 16.971 1.00 10.00 H new ATOM 0 HD2 ARG B 46 28.842 -2.542 15.606 1.00 10.00 H new ATOM 0 HD3 ARG B 46 28.536 -1.913 17.213 1.00 10.00 H new ATOM 0 HE ARG B 46 31.200 -3.186 17.070 1.00 10.00 H new ATOM 0 HH11 ARG B 46 30.682 -0.683 18.619 1.00 10.00 H new ATOM 0 HH12 ARG B 46 31.450 0.556 17.622 1.00 10.00 H new ATOM 0 HH21 ARG B 46 31.565 -1.462 14.767 1.00 10.00 H new ATOM 0 HH22 ARG B 46 31.947 0.119 15.458 1.00 10.00 H new TER 1528 ARG B 46