USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 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 7 GLN : amide:sc= -0.455 K(o=-0.45,f=-2.5!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -79:sc= 0.866 USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.0378 (180deg=-0.501) USER MOD Single : A 26 GLN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.236) USER MOD Single : A 29 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.082) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0585 K(o=-0.059,f=-0.59) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.2!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-1.8) USER MOD Single : B 14 GLN : amide:sc= -0.0413 K(o=-0.041,f=-1.6!) USER MOD Single : B 15 GLN : amide:sc= -0.0268 X(o=-0.027,f=-0.19) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc=0.000979 K(o=0.00098,f=-8.4!) USER MOD Single : B 24 ASN : amide:sc= -1.91 K(o=-1.9,f=-10!) USER MOD Single : B 29 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.031) USER MOD Single : B 30 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.047) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 5.783 21.114 1.534 1.00 0.00 C HETATM 2 O ACE A 2 6.803 21.315 0.877 1.00 0.00 O HETATM 3 CH3 ACE A 2 4.810 20.002 1.159 1.00 0.00 C HETATM 0 H1 ACE A 2 4.725 19.298 1.987 1.00 0.00 H new HETATM 0 H2 ACE A 2 3.831 20.432 0.946 1.00 0.00 H new HETATM 0 H3 ACE A 2 5.177 19.480 0.275 1.00 0.00 H new ATOM 7 N CYS A 3 5.456 21.834 2.604 1.00 0.00 N ATOM 8 CA CYS A 3 6.308 22.927 3.064 1.00 0.00 C ATOM 9 C CYS A 3 6.547 22.820 4.567 1.00 0.00 C ATOM 10 O CYS A 3 6.683 23.826 5.263 1.00 0.00 O ATOM 11 CB CYS A 3 5.659 24.279 2.757 1.00 0.00 C ATOM 12 SG CYS A 3 5.557 24.504 0.964 1.00 0.00 S ATOM 0 H CYS A 3 4.617 21.683 3.164 1.00 0.00 H new ATOM 0 HA CYS A 3 7.260 22.855 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.663 24.325 3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.242 25.084 3.203 1.00 0.00 H new ATOM 17 N GLY A 4 6.595 21.585 5.061 1.00 0.00 N ATOM 18 CA GLY A 4 6.818 21.351 6.485 1.00 0.00 C ATOM 19 C GLY A 4 5.605 20.683 7.119 1.00 0.00 C ATOM 20 O GLY A 4 4.537 21.283 7.237 1.00 0.00 O ATOM 0 H GLY A 4 6.484 20.739 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.698 20.722 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.021 22.297 6.986 1.00 0.00 H new ATOM 24 N GLY A 5 5.781 19.429 7.528 1.00 0.00 N ATOM 25 CA GLY A 5 4.694 18.681 8.153 1.00 0.00 C ATOM 26 C GLY A 5 3.906 17.899 7.107 1.00 0.00 C ATOM 27 O GLY A 5 3.742 16.683 7.214 1.00 0.00 O ATOM 0 H GLY A 5 6.657 18.914 7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.099 17.996 8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.029 19.367 8.679 1.00 0.00 H new ATOM 31 N VAL A 6 3.419 18.611 6.095 1.00 0.00 N ATOM 32 CA VAL A 6 2.646 17.976 5.031 1.00 0.00 C ATOM 33 C VAL A 6 3.575 17.249 4.062 1.00 0.00 C ATOM 34 O VAL A 6 3.222 16.212 3.500 1.00 0.00 O ATOM 35 CB VAL A 6 1.836 19.020 4.257 1.00 0.00 C ATOM 36 CG1 VAL A 6 0.891 18.317 3.280 1.00 0.00 C ATOM 37 CG2 VAL A 6 1.016 19.860 5.240 1.00 0.00 C ATOM 0 H VAL A 6 3.544 19.618 5.989 1.00 0.00 H new ATOM 0 HA VAL A 6 1.965 17.260 5.491 1.00 0.00 H new ATOM 0 HB VAL A 6 2.516 19.666 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.316 19.062 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.472 17.718 2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.211 17.670 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.439 20.604 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.338 19.212 5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.687 20.364 5.936 1.00 0.00 H new ATOM 47 N GLN A 7 4.768 17.805 3.876 1.00 0.00 N ATOM 48 CA GLN A 7 5.746 17.204 2.973 1.00 0.00 C ATOM 49 C GLN A 7 6.148 15.819 3.470 1.00 0.00 C ATOM 50 O GLN A 7 6.362 14.898 2.682 1.00 0.00 O ATOM 51 CB GLN A 7 6.996 18.080 2.876 1.00 0.00 C ATOM 52 CG GLN A 7 7.672 17.858 1.522 1.00 0.00 C ATOM 53 CD GLN A 7 8.680 16.719 1.635 1.00 0.00 C ATOM 54 OE1 GLN A 7 9.233 16.475 2.707 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.953 15.999 0.582 1.00 0.00 N ATOM 0 H GLN A 7 5.080 18.662 4.333 1.00 0.00 H new ATOM 0 HA GLN A 7 5.286 17.119 1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.727 19.130 2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.687 17.837 3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.924 17.622 0.765 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.174 18.771 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.495 16.201 -0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.625 15.234 0.647 1.00 0.00 H new ATOM 64 N ALA A 8 6.248 15.683 4.789 1.00 0.00 N ATOM 65 CA ALA A 8 6.625 14.406 5.388 1.00 0.00 C ATOM 66 C ALA A 8 5.445 13.439 5.367 1.00 0.00 C ATOM 67 O ALA A 8 5.613 12.237 5.158 1.00 0.00 O ATOM 68 CB ALA A 8 7.080 14.605 6.836 1.00 0.00 C ATOM 0 H ALA A 8 6.075 16.433 5.458 1.00 0.00 H new ATOM 0 HA ALA A 8 7.447 13.991 4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.357 13.642 7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.941 15.274 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.267 15.041 7.416 1.00 0.00 H new ATOM 74 N GLU A 9 4.249 13.978 5.585 1.00 0.00 N ATOM 75 CA GLU A 9 3.044 13.154 5.590 1.00 0.00 C ATOM 76 C GLU A 9 2.769 12.605 4.194 1.00 0.00 C ATOM 77 O GLU A 9 2.273 11.489 4.036 1.00 0.00 O ATOM 78 CB GLU A 9 1.836 13.976 6.048 1.00 0.00 C ATOM 79 CG GLU A 9 0.711 13.034 6.479 1.00 0.00 C ATOM 80 CD GLU A 9 -0.456 13.850 7.023 1.00 0.00 C ATOM 81 OE1 GLU A 9 -0.408 14.215 8.186 1.00 0.00 O ATOM 82 OE2 GLU A 9 -1.382 14.098 6.267 1.00 0.00 O ATOM 0 H GLU A 9 4.088 14.970 5.759 1.00 0.00 H new ATOM 0 HA GLU A 9 3.204 12.327 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.118 14.626 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.494 14.621 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.383 12.431 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.072 12.344 7.241 1.00 0.00 H new ATOM 89 N GLU A 10 3.098 13.404 3.181 1.00 0.00 N ATOM 90 CA GLU A 10 2.883 12.990 1.798 1.00 0.00 C ATOM 91 C GLU A 10 3.922 11.952 1.385 1.00 0.00 C ATOM 92 O GLU A 10 3.598 10.941 0.762 1.00 0.00 O ATOM 93 CB GLU A 10 2.981 14.192 0.857 1.00 0.00 C ATOM 94 CG GLU A 10 2.250 13.878 -0.449 1.00 0.00 C ATOM 95 CD GLU A 10 2.836 14.723 -1.576 1.00 0.00 C ATOM 96 OE1 GLU A 10 3.185 15.862 -1.317 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.926 14.217 -2.684 1.00 0.00 O ATOM 0 H GLU A 10 3.510 14.331 3.290 1.00 0.00 H new ATOM 0 HA GLU A 10 1.886 12.555 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.544 15.073 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.026 14.424 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.347 12.819 -0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.185 14.085 -0.341 1.00 0.00 H new ATOM 104 N GLN A 11 5.176 12.213 1.741 1.00 0.00 N ATOM 105 CA GLN A 11 6.263 11.296 1.404 1.00 0.00 C ATOM 106 C GLN A 11 6.033 9.934 2.054 1.00 0.00 C ATOM 107 O GLN A 11 6.411 8.899 1.506 1.00 0.00 O ATOM 108 CB GLN A 11 7.604 11.857 1.881 1.00 0.00 C ATOM 109 CG GLN A 11 8.742 11.001 1.322 1.00 0.00 C ATOM 110 CD GLN A 11 10.063 11.746 1.481 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.693 11.689 2.536 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.525 12.449 0.483 1.00 0.00 N ATOM 0 H GLN A 11 5.465 13.044 2.258 1.00 0.00 H new ATOM 0 HA GLN A 11 6.283 11.182 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.716 12.890 1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.641 11.864 2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.785 10.046 1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.562 10.779 0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.003 12.497 -0.392 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.408 12.951 0.578 1.00 0.00 H new ATOM 121 N LYS A 12 5.412 9.949 3.230 1.00 0.00 N ATOM 122 CA LYS A 12 5.136 8.710 3.951 1.00 0.00 C ATOM 123 C LYS A 12 4.026 7.925 3.258 1.00 0.00 C ATOM 124 O LYS A 12 4.049 6.695 3.215 1.00 0.00 O ATOM 125 CB LYS A 12 4.713 9.009 5.390 1.00 0.00 C ATOM 126 CG LYS A 12 5.038 7.808 6.280 1.00 0.00 C ATOM 127 CD LYS A 12 6.417 7.997 6.911 1.00 0.00 C ATOM 128 CE LYS A 12 6.336 9.058 8.010 1.00 0.00 C ATOM 129 NZ LYS A 12 7.663 9.718 8.165 1.00 0.00 N ATOM 0 H LYS A 12 5.093 10.796 3.700 1.00 0.00 H new ATOM 0 HA LYS A 12 6.050 8.116 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.231 9.896 5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.645 9.225 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.282 7.704 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.019 6.891 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.770 7.054 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.138 8.300 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.577 9.799 7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.034 8.599 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.607 10.439 8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.376 9.007 8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.933 10.170 7.268 1.00 0.00 H new ATOM 143 N LEU A 13 3.052 8.653 2.718 1.00 0.00 N ATOM 144 CA LEU A 13 1.931 8.017 2.029 1.00 0.00 C ATOM 145 C LEU A 13 2.405 7.351 0.740 1.00 0.00 C ATOM 146 O LEU A 13 2.039 6.214 0.441 1.00 0.00 O ATOM 147 CB LEU A 13 0.856 9.050 1.689 1.00 0.00 C ATOM 148 CG LEU A 13 0.009 9.333 2.931 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.654 10.706 2.796 1.00 0.00 C ATOM 150 CD2 LEU A 13 -1.071 8.257 3.067 1.00 0.00 C ATOM 0 H LEU A 13 3.015 9.672 2.743 1.00 0.00 H new ATOM 0 HA LEU A 13 1.512 7.263 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.320 9.970 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.224 8.681 0.881 1.00 0.00 H new ATOM 0 HG LEU A 13 0.647 9.323 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.257 10.907 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.114 11.473 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.292 10.717 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.675 8.458 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.708 8.267 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.600 7.279 3.164 1.00 0.00 H new ATOM 162 N ILE A 14 3.223 8.073 -0.018 1.00 0.00 N ATOM 163 CA ILE A 14 3.744 7.547 -1.278 1.00 0.00 C ATOM 164 C ILE A 14 4.652 6.347 -1.016 1.00 0.00 C ATOM 165 O ILE A 14 4.476 5.278 -1.602 1.00 0.00 O ATOM 166 CB ILE A 14 4.536 8.629 -2.023 1.00 0.00 C ATOM 167 CG1 ILE A 14 3.639 9.849 -2.248 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.008 8.091 -3.378 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.467 10.991 -2.838 1.00 0.00 C ATOM 0 H ILE A 14 3.538 9.015 0.213 1.00 0.00 H new ATOM 0 HA ILE A 14 2.899 7.234 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 14 5.404 8.912 -1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.822 9.593 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.189 10.161 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.570 8.865 -3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.647 7.222 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.144 7.803 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.828 11.859 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.269 11.253 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.896 10.676 -3.789 1.00 0.00 H new ATOM 181 N SER A 15 5.629 6.539 -0.135 1.00 0.00 N ATOM 182 CA SER A 15 6.569 5.469 0.193 1.00 0.00 C ATOM 183 C SER A 15 5.833 4.253 0.750 1.00 0.00 C ATOM 184 O SER A 15 6.259 3.113 0.566 1.00 0.00 O ATOM 185 CB SER A 15 7.589 5.949 1.225 1.00 0.00 C ATOM 186 OG SER A 15 6.904 6.383 2.393 1.00 0.00 O ATOM 0 H SER A 15 5.791 7.415 0.361 1.00 0.00 H new ATOM 0 HA SER A 15 7.085 5.188 -0.725 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.280 5.143 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.184 6.764 0.814 1.00 0.00 H new ATOM 0 HG SER A 15 6.541 7.281 2.245 1.00 0.00 H new ATOM 192 N GLU A 16 4.720 4.508 1.435 1.00 0.00 N ATOM 193 CA GLU A 16 3.929 3.426 2.015 1.00 0.00 C ATOM 194 C GLU A 16 3.043 2.785 0.951 1.00 0.00 C ATOM 195 O GLU A 16 2.798 1.579 0.970 1.00 0.00 O ATOM 196 CB GLU A 16 3.047 3.953 3.147 1.00 0.00 C ATOM 197 CG GLU A 16 3.862 4.016 4.442 1.00 0.00 C ATOM 198 CD GLU A 16 2.920 4.195 5.627 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.226 5.198 5.660 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.906 3.328 6.484 1.00 0.00 O ATOM 0 H GLU A 16 4.349 5.444 1.601 1.00 0.00 H new ATOM 0 HA GLU A 16 4.619 2.681 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.667 4.943 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.182 3.304 3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.445 3.103 4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.570 4.843 4.399 1.00 0.00 H new ATOM 207 N GLU A 17 2.567 3.609 0.021 1.00 0.00 N ATOM 208 CA GLU A 17 1.706 3.117 -1.050 1.00 0.00 C ATOM 209 C GLU A 17 2.534 2.388 -2.105 1.00 0.00 C ATOM 210 O GLU A 17 2.104 1.379 -2.663 1.00 0.00 O ATOM 211 CB GLU A 17 0.962 4.276 -1.716 1.00 0.00 C ATOM 212 CG GLU A 17 -0.147 3.723 -2.614 1.00 0.00 C ATOM 213 CD GLU A 17 0.385 3.553 -4.032 1.00 0.00 C ATOM 214 OE1 GLU A 17 0.740 4.552 -4.635 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.429 2.425 -4.497 1.00 0.00 O ATOM 0 H GLU A 17 2.760 4.610 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 17 0.984 2.428 -0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.536 4.933 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.655 4.877 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.498 2.766 -2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.001 4.400 -2.613 1.00 0.00 H new ATOM 222 N ASP A 18 3.726 2.912 -2.369 1.00 0.00 N ATOM 223 CA ASP A 18 4.611 2.306 -3.359 1.00 0.00 C ATOM 224 C ASP A 18 5.106 0.947 -2.871 1.00 0.00 C ATOM 225 O ASP A 18 5.159 -0.020 -3.630 1.00 0.00 O ATOM 226 CB ASP A 18 5.818 3.209 -3.624 1.00 0.00 C ATOM 227 CG ASP A 18 6.279 3.031 -5.068 1.00 0.00 C ATOM 228 OD1 ASP A 18 6.690 1.933 -5.405 1.00 0.00 O ATOM 229 OD2 ASP A 18 6.213 3.995 -5.812 1.00 0.00 O ATOM 0 H ASP A 18 4.100 3.747 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 18 4.045 2.178 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.554 4.251 -3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.629 2.961 -2.939 1.00 0.00 H new ATOM 234 N LEU A 19 5.468 0.888 -1.592 1.00 0.00 N ATOM 235 CA LEU A 19 5.958 -0.357 -1.007 1.00 0.00 C ATOM 236 C LEU A 19 4.874 -1.429 -1.051 1.00 0.00 C ATOM 237 O LEU A 19 5.160 -2.618 -1.195 1.00 0.00 O ATOM 238 CB LEU A 19 6.383 -0.135 0.446 1.00 0.00 C ATOM 239 CG LEU A 19 7.502 -1.113 0.807 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.837 -0.577 0.286 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.573 -1.265 2.329 1.00 0.00 C ATOM 0 H LEU A 19 5.432 1.678 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 19 6.818 -0.687 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.724 0.891 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.531 -0.279 1.111 1.00 0.00 H new ATOM 0 HG LEU A 19 7.298 -2.083 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.634 -1.274 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.787 -0.467 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.042 0.392 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.370 -1.962 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.777 -0.295 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.622 -1.647 2.701 1.00 0.00 H new ATOM 253 N LEU A 20 3.623 -0.995 -0.923 1.00 0.00 N ATOM 254 CA LEU A 20 2.498 -1.924 -0.949 1.00 0.00 C ATOM 255 C LEU A 20 2.332 -2.521 -2.342 1.00 0.00 C ATOM 256 O LEU A 20 1.945 -3.680 -2.495 1.00 0.00 O ATOM 257 CB LEU A 20 1.205 -1.209 -0.555 1.00 0.00 C ATOM 258 CG LEU A 20 1.011 -1.300 0.961 1.00 0.00 C ATOM 259 CD1 LEU A 20 -0.034 -0.275 1.405 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.533 -2.706 1.328 1.00 0.00 C ATOM 0 H LEU A 20 3.364 -0.016 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 20 2.703 -2.721 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.246 -0.165 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.356 -1.661 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 20 1.957 -1.094 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.172 -0.340 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.305 0.727 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.981 -0.481 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.394 -2.773 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.413 -2.911 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.277 -3.437 1.012 1.00 0.00 H new ATOM 272 N ARG A 21 2.629 -1.716 -3.357 1.00 0.00 N ATOM 273 CA ARG A 21 2.511 -2.171 -4.741 1.00 0.00 C ATOM 274 C ARG A 21 3.472 -3.325 -5.006 1.00 0.00 C ATOM 275 O ARG A 21 3.089 -4.355 -5.559 1.00 0.00 O ATOM 276 CB ARG A 21 2.823 -1.030 -5.709 1.00 0.00 C ATOM 277 CG ARG A 21 1.707 0.015 -5.647 1.00 0.00 C ATOM 278 CD ARG A 21 1.766 0.902 -6.891 1.00 0.00 C ATOM 279 NE ARG A 21 3.086 1.526 -7.018 1.00 0.00 N ATOM 280 CZ ARG A 21 3.303 2.575 -7.823 1.00 0.00 C ATOM 281 NH1 ARG A 21 2.335 3.096 -8.539 1.00 0.00 N ATOM 282 NH2 ARG A 21 4.501 3.090 -7.896 1.00 0.00 N ATOM 0 H ARG A 21 2.950 -0.754 -3.251 1.00 0.00 H new ATOM 0 HA ARG A 21 1.486 -2.508 -4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.778 -0.572 -5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.918 -1.416 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.737 -0.478 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.814 0.623 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.552 0.307 -7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.998 1.673 -6.831 1.00 0.00 H new ATOM 0 HE ARG A 21 3.864 1.150 -6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.395 2.703 -8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.522 3.895 -9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.261 2.694 -7.343 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.677 3.889 -8.506 1.00 0.00 H new ATOM 296 N LYS A 22 4.725 -3.140 -4.601 1.00 0.00 N ATOM 297 CA LYS A 22 5.739 -4.171 -4.798 1.00 0.00 C ATOM 298 C LYS A 22 5.385 -5.424 -4.004 1.00 0.00 C ATOM 299 O LYS A 22 5.611 -6.548 -4.455 1.00 0.00 O ATOM 300 CB LYS A 22 7.112 -3.667 -4.349 1.00 0.00 C ATOM 301 CG LYS A 22 7.652 -2.670 -5.376 1.00 0.00 C ATOM 302 CD LYS A 22 8.476 -1.597 -4.663 1.00 0.00 C ATOM 303 CE LYS A 22 9.868 -2.147 -4.346 1.00 0.00 C ATOM 304 NZ LYS A 22 9.858 -2.777 -2.995 1.00 0.00 N ATOM 0 H LYS A 22 5.060 -2.295 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 22 5.772 -4.411 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.034 -3.192 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.801 -4.505 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.268 -3.187 -6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.827 -2.209 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.559 -0.710 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.976 -1.291 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.161 -2.879 -5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.604 -1.344 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.830 -2.828 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.274 -2.207 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.463 -3.737 -3.062 1.00 0.00 H new ATOM 318 N ARG A 23 4.827 -5.219 -2.814 1.00 0.00 N ATOM 319 CA ARG A 23 4.444 -6.339 -1.960 1.00 0.00 C ATOM 320 C ARG A 23 3.274 -7.103 -2.576 1.00 0.00 C ATOM 321 O ARG A 23 3.188 -8.325 -2.472 1.00 0.00 O ATOM 322 CB ARG A 23 4.037 -5.840 -0.572 1.00 0.00 C ATOM 323 CG ARG A 23 3.940 -7.026 0.389 1.00 0.00 C ATOM 324 CD ARG A 23 5.343 -7.558 0.687 1.00 0.00 C ATOM 325 NE ARG A 23 5.305 -8.536 1.777 1.00 0.00 N ATOM 326 CZ ARG A 23 6.324 -9.371 2.023 1.00 0.00 C ATOM 327 NH1 ARG A 23 7.413 -9.348 1.293 1.00 0.00 N ATOM 328 NH2 ARG A 23 6.232 -10.223 3.007 1.00 0.00 N ATOM 0 H ARG A 23 4.632 -4.298 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 23 5.304 -7.002 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.768 -5.119 -0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.079 -5.323 -0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.452 -6.719 1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.327 -7.813 -0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.760 -8.020 -0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.001 -6.732 0.956 1.00 0.00 H new ATOM 0 HE ARG A 23 4.475 -8.583 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.496 -8.686 0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.177 -9.992 1.497 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.390 -10.250 3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.002 -10.862 3.202 1.00 0.00 H new ATOM 342 N ARG A 24 2.375 -6.363 -3.218 1.00 0.00 N ATOM 343 CA ARG A 24 1.210 -6.975 -3.849 1.00 0.00 C ATOM 344 C ARG A 24 1.644 -7.937 -4.952 1.00 0.00 C ATOM 345 O ARG A 24 1.007 -8.962 -5.189 1.00 0.00 O ATOM 346 CB ARG A 24 0.302 -5.903 -4.454 1.00 0.00 C ATOM 347 CG ARG A 24 -1.147 -6.397 -4.445 1.00 0.00 C ATOM 348 CD ARG A 24 -2.094 -5.197 -4.398 1.00 0.00 C ATOM 349 NE ARG A 24 -2.100 -4.493 -5.682 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.774 -4.954 -6.746 1.00 0.00 C ATOM 351 NH1 ARG A 24 -3.466 -6.067 -6.683 1.00 0.00 N ATOM 352 NH2 ARG A 24 -2.742 -4.282 -7.864 1.00 0.00 N ATOM 0 H ARG A 24 2.429 -5.349 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 24 0.663 -7.523 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.385 -4.977 -3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.615 -5.679 -5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.344 -6.995 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.317 -7.042 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.103 -5.532 -4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.786 -4.515 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.574 -3.623 -5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.498 -6.599 -5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.972 -6.400 -7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.208 -3.415 -7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.251 -4.624 -8.679 1.00 0.00 H new ATOM 366 N GLU A 25 2.740 -7.590 -5.624 1.00 0.00 N ATOM 367 CA GLU A 25 3.257 -8.429 -6.703 1.00 0.00 C ATOM 368 C GLU A 25 3.928 -9.674 -6.135 1.00 0.00 C ATOM 369 O GLU A 25 3.652 -10.796 -6.562 1.00 0.00 O ATOM 370 CB GLU A 25 4.273 -7.653 -7.543 1.00 0.00 C ATOM 371 CG GLU A 25 3.549 -6.588 -8.367 1.00 0.00 C ATOM 372 CD GLU A 25 4.554 -5.852 -9.246 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.403 -5.170 -8.696 1.00 0.00 O ATOM 374 OE2 GLU A 25 4.461 -5.982 -10.455 1.00 0.00 O ATOM 0 H GLU A 25 3.281 -6.745 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 25 2.417 -8.725 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.014 -7.185 -6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.811 -8.334 -8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.781 -7.052 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.044 -5.884 -7.706 1.00 0.00 H new ATOM 381 N GLN A 26 4.816 -9.465 -5.167 1.00 0.00 N ATOM 382 CA GLN A 26 5.527 -10.578 -4.544 1.00 0.00 C ATOM 383 C GLN A 26 4.555 -11.470 -3.779 1.00 0.00 C ATOM 384 O GLN A 26 4.702 -12.692 -3.750 1.00 0.00 O ATOM 385 CB GLN A 26 6.593 -10.059 -3.577 1.00 0.00 C ATOM 386 CG GLN A 26 7.690 -9.340 -4.364 1.00 0.00 C ATOM 387 CD GLN A 26 9.029 -9.528 -3.659 1.00 0.00 C ATOM 388 OE1 GLN A 26 10.041 -9.816 -4.299 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.096 -9.383 -2.363 1.00 0.00 N ATOM 0 H GLN A 26 5.059 -8.545 -4.800 1.00 0.00 H new ATOM 0 HA GLN A 26 6.005 -11.156 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.143 -9.378 -2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.020 -10.887 -3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.743 -9.735 -5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.457 -8.279 -4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.258 -9.144 -1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.986 -9.508 -1.881 1.00 0.00 H new ATOM 398 N LEU A 27 3.558 -10.845 -3.159 1.00 0.00 N ATOM 399 CA LEU A 27 2.563 -11.589 -2.395 1.00 0.00 C ATOM 400 C LEU A 27 1.787 -12.535 -3.307 1.00 0.00 C ATOM 401 O LEU A 27 1.483 -13.668 -2.937 1.00 0.00 O ATOM 402 CB LEU A 27 1.579 -10.632 -1.718 1.00 0.00 C ATOM 403 CG LEU A 27 2.128 -10.215 -0.354 1.00 0.00 C ATOM 404 CD1 LEU A 27 1.243 -9.119 0.241 1.00 0.00 C ATOM 405 CD2 LEU A 27 2.138 -11.425 0.583 1.00 0.00 C ATOM 0 H LEU A 27 3.418 -9.835 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 27 3.089 -12.166 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.423 -9.753 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.609 -11.115 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 27 3.143 -9.837 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.635 -8.822 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.235 -8.256 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.227 -9.496 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.529 -11.128 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.122 -11.803 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.769 -12.207 0.161 1.00 0.00 H new ATOM 417 N LYS A 28 1.472 -12.053 -4.506 1.00 0.00 N ATOM 418 CA LYS A 28 0.730 -12.862 -5.471 1.00 0.00 C ATOM 419 C LYS A 28 1.602 -13.999 -5.993 1.00 0.00 C ATOM 420 O LYS A 28 1.113 -15.088 -6.295 1.00 0.00 O ATOM 421 CB LYS A 28 0.273 -12.003 -6.651 1.00 0.00 C ATOM 422 CG LYS A 28 -1.061 -12.530 -7.182 1.00 0.00 C ATOM 423 CD LYS A 28 -1.480 -11.721 -8.411 1.00 0.00 C ATOM 424 CE LYS A 28 -3.007 -11.660 -8.486 1.00 0.00 C ATOM 425 NZ LYS A 28 -3.558 -13.045 -8.506 1.00 0.00 N ATOM 0 H LYS A 28 1.715 -11.117 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.142 -13.275 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.167 -10.964 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.024 -12.023 -7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.969 -13.584 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.826 -12.458 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.068 -10.714 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.079 -12.179 -9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.402 -11.112 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.317 -11.121 -9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.531 -13.026 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.968 -13.644 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.560 -13.432 -7.541 1.00 0.00 H new ATOM 439 N HIS A 29 2.901 -13.733 -6.096 1.00 0.00 N ATOM 440 CA HIS A 29 3.838 -14.742 -6.583 1.00 0.00 C ATOM 441 C HIS A 29 3.858 -15.948 -5.651 1.00 0.00 C ATOM 442 O HIS A 29 3.861 -17.097 -6.095 1.00 0.00 O ATOM 443 CB HIS A 29 5.251 -14.162 -6.674 1.00 0.00 C ATOM 444 CG HIS A 29 5.428 -13.478 -8.002 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.461 -14.180 -9.197 1.00 0.00 N ATOM 446 CD2 HIS A 29 5.582 -12.156 -8.340 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.628 -13.286 -10.188 1.00 0.00 C ATOM 448 NE2 HIS A 29 5.709 -12.037 -9.721 1.00 0.00 N ATOM 0 H HIS A 29 3.326 -12.838 -5.852 1.00 0.00 H new ATOM 0 HA HIS A 29 3.508 -15.054 -7.574 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.418 -13.453 -5.863 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.989 -14.956 -6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.602 -11.333 -7.640 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.689 -13.546 -11.234 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.836 -11.181 -10.260 1.00 0.00 H new ATOM 456 N LYS A 30 3.867 -15.674 -4.349 1.00 0.00 N ATOM 457 CA LYS A 30 3.886 -16.744 -3.355 1.00 0.00 C ATOM 458 C LYS A 30 2.621 -17.590 -3.460 1.00 0.00 C ATOM 459 O LYS A 30 2.682 -18.813 -3.581 1.00 0.00 O ATOM 460 CB LYS A 30 3.979 -16.162 -1.943 1.00 0.00 C ATOM 461 CG LYS A 30 5.443 -15.864 -1.610 1.00 0.00 C ATOM 462 CD LYS A 30 5.512 -14.719 -0.598 1.00 0.00 C ATOM 463 CE LYS A 30 6.952 -14.559 -0.107 1.00 0.00 C ATOM 464 NZ LYS A 30 7.709 -13.697 -1.060 1.00 0.00 N ATOM 0 H LYS A 30 3.862 -14.731 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 30 4.759 -17.368 -3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.386 -15.250 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.566 -16.866 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.923 -16.754 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.986 -15.596 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.168 -13.792 -1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.850 -14.923 0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.961 -14.114 0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.430 -15.535 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.688 -13.588 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.711 -14.139 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.257 -12.762 -1.117 1.00 0.00 H new ATOM 478 N LEU A 31 1.471 -16.922 -3.410 1.00 0.00 N ATOM 479 CA LEU A 31 0.191 -17.618 -3.501 1.00 0.00 C ATOM 480 C LEU A 31 0.066 -18.329 -4.845 1.00 0.00 C ATOM 481 O LEU A 31 -0.492 -19.423 -4.937 1.00 0.00 O ATOM 482 CB LEU A 31 -0.972 -16.626 -3.343 1.00 0.00 C ATOM 483 CG LEU A 31 -2.095 -17.242 -2.493 1.00 0.00 C ATOM 484 CD1 LEU A 31 -2.607 -18.529 -3.149 1.00 0.00 C ATOM 485 CD2 LEU A 31 -1.567 -17.560 -1.090 1.00 0.00 C ATOM 0 H LEU A 31 1.399 -15.910 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 31 0.148 -18.354 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.614 -15.709 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.360 -16.352 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.915 -16.527 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.402 -18.957 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.994 -18.302 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.789 -19.245 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.366 -17.996 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.741 -18.267 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.218 -16.643 -0.616 1.00 0.00 H new ATOM 497 N GLU A 32 0.590 -17.693 -5.889 1.00 0.00 N ATOM 498 CA GLU A 32 0.534 -18.272 -7.229 1.00 0.00 C ATOM 499 C GLU A 32 1.395 -19.529 -7.303 1.00 0.00 C ATOM 500 O GLU A 32 0.938 -20.586 -7.735 1.00 0.00 O ATOM 501 CB GLU A 32 1.032 -17.265 -8.268 1.00 0.00 C ATOM 502 CG GLU A 32 0.749 -17.799 -9.673 1.00 0.00 C ATOM 503 CD GLU A 32 0.759 -16.646 -10.670 1.00 0.00 C ATOM 504 OE1 GLU A 32 1.793 -16.010 -10.799 1.00 0.00 O ATOM 505 OE2 GLU A 32 -0.265 -16.415 -11.289 1.00 0.00 O ATOM 0 H GLU A 32 1.054 -16.786 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.504 -18.530 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.536 -16.305 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.101 -17.094 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.500 -18.539 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.217 -18.303 -9.694 1.00 0.00 H new ATOM 512 N GLN A 33 2.649 -19.397 -6.878 1.00 0.00 N ATOM 513 CA GLN A 33 3.571 -20.530 -6.899 1.00 0.00 C ATOM 514 C GLN A 33 3.071 -21.642 -5.982 1.00 0.00 C ATOM 515 O GLN A 33 2.724 -22.731 -6.438 1.00 0.00 O ATOM 516 CB GLN A 33 4.964 -20.094 -6.440 1.00 0.00 C ATOM 517 CG GLN A 33 6.022 -20.954 -7.134 1.00 0.00 C ATOM 518 CD GLN A 33 6.321 -20.379 -8.515 1.00 0.00 C ATOM 519 OE1 GLN A 33 6.535 -19.176 -8.660 1.00 0.00 O ATOM 520 NE2 GLN A 33 6.346 -21.175 -9.549 1.00 0.00 N ATOM 0 H GLN A 33 3.047 -18.529 -6.519 1.00 0.00 H new ATOM 0 HA GLN A 33 3.625 -20.901 -7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.123 -19.042 -6.676 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.050 -20.195 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.933 -20.982 -6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.668 -21.981 -7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.169 -22.172 -9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.543 -20.800 -10.477 1.00 0.00 H new ATOM 529 N LEU A 34 3.037 -21.352 -4.685 1.00 0.00 N ATOM 530 CA LEU A 34 2.577 -22.334 -3.708 1.00 0.00 C ATOM 531 C LEU A 34 1.064 -22.505 -3.796 1.00 0.00 C ATOM 532 O LEU A 34 0.373 -21.703 -4.426 1.00 0.00 O ATOM 533 CB LEU A 34 2.946 -21.894 -2.290 1.00 0.00 C ATOM 534 CG LEU A 34 4.359 -22.376 -1.957 1.00 0.00 C ATOM 535 CD1 LEU A 34 5.375 -21.315 -2.380 1.00 0.00 C ATOM 536 CD2 LEU A 34 4.472 -22.617 -0.449 1.00 0.00 C ATOM 0 H LEU A 34 3.319 -20.455 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 34 3.064 -23.283 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.892 -20.808 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.233 -22.303 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 34 4.561 -23.304 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.381 -21.660 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.295 -21.142 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.174 -20.386 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.478 -22.961 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.269 -21.688 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.749 -23.374 -0.146 1.00 0.00 H new HETATM 548 N NH2 A 35 0.498 -23.516 -3.194 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 4.325 25.170 -3.292 1.00 0.00 C HETATM 553 O ACE B 2 5.217 24.373 -3.584 1.00 0.00 O HETATM 554 CH3 ACE B 2 4.193 26.506 -4.017 1.00 0.00 C HETATM 0 H1 ACE B 2 3.218 26.562 -4.501 1.00 0.00 H new HETATM 0 H2 ACE B 2 4.289 27.321 -3.299 1.00 0.00 H new HETATM 0 H3 ACE B 2 4.977 26.591 -4.769 1.00 0.00 H new ATOM 558 N CYS B 3 3.426 24.935 -2.341 1.00 0.00 N ATOM 559 CA CYS B 3 3.447 23.693 -1.575 1.00 0.00 C ATOM 560 C CYS B 3 2.671 22.604 -2.307 1.00 0.00 C ATOM 561 O CYS B 3 1.446 22.659 -2.415 1.00 0.00 O ATOM 562 CB CYS B 3 2.827 23.905 -0.193 1.00 0.00 C ATOM 563 SG CYS B 3 3.699 25.239 0.664 1.00 0.00 S ATOM 0 H CYS B 3 2.680 25.582 -2.084 1.00 0.00 H new ATOM 0 HA CYS B 3 4.486 23.385 -1.461 1.00 0.00 H new ATOM 0 HB2 CYS B 3 1.770 24.152 -0.291 1.00 0.00 H new ATOM 0 HB3 CYS B 3 2.887 22.985 0.389 1.00 0.00 H new ATOM 568 N GLY B 4 3.398 21.611 -2.811 1.00 0.00 N ATOM 569 CA GLY B 4 2.770 20.509 -3.533 1.00 0.00 C ATOM 570 C GLY B 4 2.324 19.415 -2.571 1.00 0.00 C ATOM 571 O GLY B 4 2.885 19.255 -1.486 1.00 0.00 O ATOM 0 H GLY B 4 4.413 21.546 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY B 4 1.911 20.878 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY B 4 3.471 20.097 -4.259 1.00 0.00 H new ATOM 575 N GLY B 5 1.307 18.662 -2.978 1.00 0.00 N ATOM 576 CA GLY B 5 0.787 17.582 -2.145 1.00 0.00 C ATOM 577 C GLY B 5 -0.630 17.894 -1.675 1.00 0.00 C ATOM 578 O GLY B 5 -1.609 17.451 -2.274 1.00 0.00 O ATOM 0 H GLY B 5 0.829 18.778 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY B 5 0.791 16.649 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY B 5 1.437 17.437 -1.282 1.00 0.00 H new ATOM 582 N MET B 6 -0.726 18.665 -0.594 1.00 0.00 N ATOM 583 CA MET B 6 -2.030 19.036 -0.045 1.00 0.00 C ATOM 584 C MET B 6 -2.804 17.792 0.381 1.00 0.00 C ATOM 585 O MET B 6 -2.386 16.663 0.121 1.00 0.00 O ATOM 586 CB MET B 6 -2.854 19.805 -1.082 1.00 0.00 C ATOM 587 CG MET B 6 -2.100 21.070 -1.496 1.00 0.00 C ATOM 588 SD MET B 6 -3.275 22.288 -2.137 1.00 0.00 S ATOM 589 CE MET B 6 -2.266 22.872 -3.520 1.00 0.00 C ATOM 0 H MET B 6 0.073 19.042 -0.085 1.00 0.00 H new ATOM 0 HA MET B 6 -1.857 19.672 0.823 1.00 0.00 H new ATOM 0 HB2 MET B 6 -3.039 19.177 -1.954 1.00 0.00 H new ATOM 0 HB3 MET B 6 -3.827 20.068 -0.667 1.00 0.00 H new ATOM 0 HG2 MET B 6 -1.562 21.482 -0.642 1.00 0.00 H new ATOM 0 HG3 MET B 6 -1.356 20.831 -2.256 1.00 0.00 H new ATOM 0 HE1 MET B 6 -2.808 23.644 -4.065 1.00 0.00 H new ATOM 0 HE2 MET B 6 -1.331 23.284 -3.140 1.00 0.00 H new ATOM 0 HE3 MET B 6 -2.049 22.039 -4.189 1.00 0.00 H new ATOM 599 N ARG B 7 -3.937 18.013 1.041 1.00 0.00 N ATOM 600 CA ARG B 7 -4.769 16.904 1.503 1.00 0.00 C ATOM 601 C ARG B 7 -5.358 16.138 0.320 1.00 0.00 C ATOM 602 O ARG B 7 -5.650 14.947 0.419 1.00 0.00 O ATOM 603 CB ARG B 7 -5.910 17.417 2.385 1.00 0.00 C ATOM 604 CG ARG B 7 -6.661 18.535 1.658 1.00 0.00 C ATOM 605 CD ARG B 7 -8.114 18.568 2.137 1.00 0.00 C ATOM 606 NE ARG B 7 -8.179 18.863 3.571 1.00 0.00 N ATOM 607 CZ ARG B 7 -9.332 19.164 4.186 1.00 0.00 C ATOM 608 NH1 ARG B 7 -10.464 19.208 3.525 1.00 0.00 N ATOM 609 NH2 ARG B 7 -9.326 19.418 5.466 1.00 0.00 N ATOM 0 H ARG B 7 -4.298 18.940 1.267 1.00 0.00 H new ATOM 0 HA ARG B 7 -4.135 16.235 2.084 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -6.593 16.602 2.623 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -5.514 17.787 3.331 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -6.181 19.495 1.850 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -6.625 18.371 0.581 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -8.669 19.323 1.580 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -8.591 17.609 1.936 1.00 0.00 H new ATOM 0 HE ARG B 7 -7.319 18.839 4.119 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -10.478 19.011 2.524 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -11.330 19.439 4.012 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -8.450 19.386 5.988 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -10.197 19.648 5.944 1.00 0.00 H new ATOM 623 N ARG B 8 -5.534 16.833 -0.805 1.00 0.00 N ATOM 624 CA ARG B 8 -6.094 16.204 -2.000 1.00 0.00 C ATOM 625 C ARG B 8 -5.216 15.043 -2.457 1.00 0.00 C ATOM 626 O ARG B 8 -5.693 13.926 -2.658 1.00 0.00 O ATOM 627 CB ARG B 8 -6.205 17.222 -3.137 1.00 0.00 C ATOM 628 CG ARG B 8 -7.205 18.314 -2.751 1.00 0.00 C ATOM 629 CD ARG B 8 -7.119 19.462 -3.757 1.00 0.00 C ATOM 630 NE ARG B 8 -8.343 20.269 -3.725 1.00 0.00 N ATOM 631 CZ ARG B 8 -8.410 21.483 -4.289 1.00 0.00 C ATOM 632 NH1 ARG B 8 -7.376 22.009 -4.900 1.00 0.00 N ATOM 633 NH2 ARG B 8 -9.527 22.155 -4.229 1.00 0.00 N ATOM 0 H ARG B 8 -5.300 17.820 -0.913 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.086 15.829 -1.748 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.229 17.663 -3.340 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -6.528 16.726 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -8.216 17.907 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -6.991 18.680 -1.747 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -6.257 20.089 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -6.966 19.063 -4.760 1.00 0.00 H new ATOM 0 HE ARG B 8 -9.169 19.895 -3.259 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -6.498 21.493 -4.953 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -7.450 22.935 -5.322 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -10.338 21.755 -3.756 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -9.589 23.080 -4.655 1.00 0.00 H new ATOM 647 N LYS B 9 -3.926 15.319 -2.619 1.00 0.00 N ATOM 648 CA LYS B 9 -2.985 14.289 -3.053 1.00 0.00 C ATOM 649 C LYS B 9 -2.913 13.166 -2.023 1.00 0.00 C ATOM 650 O LYS B 9 -2.785 11.991 -2.371 1.00 0.00 O ATOM 651 CB LYS B 9 -1.588 14.883 -3.242 1.00 0.00 C ATOM 652 CG LYS B 9 -0.688 13.860 -3.938 1.00 0.00 C ATOM 653 CD LYS B 9 -0.847 13.988 -5.454 1.00 0.00 C ATOM 654 CE LYS B 9 0.035 15.129 -5.966 1.00 0.00 C ATOM 655 NZ LYS B 9 -0.232 15.353 -7.414 1.00 0.00 N ATOM 0 H LYS B 9 -3.510 16.236 -2.459 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.339 13.889 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.646 15.795 -3.836 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.164 15.158 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS B 9 0.352 14.023 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.951 12.852 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.568 13.053 -5.940 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -1.890 14.179 -5.706 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.168 16.040 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS B 9 1.087 14.887 -5.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.368 16.128 -7.762 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -0.018 14.485 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -1.233 15.602 -7.548 1.00 0.00 H new ATOM 669 N ASN B 10 -2.997 13.541 -0.750 1.00 0.00 N ATOM 670 CA ASN B 10 -2.941 12.558 0.329 1.00 0.00 C ATOM 671 C ASN B 10 -4.202 11.700 0.334 1.00 0.00 C ATOM 672 O ASN B 10 -4.162 10.515 0.659 1.00 0.00 O ATOM 673 CB ASN B 10 -2.809 13.257 1.683 1.00 0.00 C ATOM 674 CG ASN B 10 -1.566 14.140 1.682 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.562 13.809 1.052 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.573 15.259 2.356 1.00 0.00 N ATOM 0 H ASN B 10 -3.103 14.507 -0.442 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.071 11.924 0.161 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.696 13.859 1.881 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.742 12.517 2.481 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.747 15.857 2.360 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.405 15.534 2.879 1.00 0.00 H new ATOM 683 N ASP B 11 -5.324 12.316 -0.030 1.00 0.00 N ATOM 684 CA ASP B 11 -6.595 11.601 -0.067 1.00 0.00 C ATOM 685 C ASP B 11 -6.551 10.484 -1.106 1.00 0.00 C ATOM 686 O ASP B 11 -7.165 9.432 -0.934 1.00 0.00 O ATOM 687 CB ASP B 11 -7.739 12.558 -0.412 1.00 0.00 C ATOM 688 CG ASP B 11 -9.069 11.926 -0.014 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.380 11.939 1.165 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.757 11.440 -0.896 1.00 0.00 O ATOM 0 H ASP B 11 -5.379 13.298 -0.301 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.766 11.171 0.920 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.604 13.506 0.109 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.734 12.778 -1.480 1.00 0.00 H new ATOM 695 N THR B 12 -5.816 10.728 -2.186 1.00 0.00 N ATOM 696 CA THR B 12 -5.695 9.738 -3.253 1.00 0.00 C ATOM 697 C THR B 12 -4.807 8.583 -2.806 1.00 0.00 C ATOM 698 O THR B 12 -5.010 7.434 -3.203 1.00 0.00 O ATOM 699 CB THR B 12 -5.094 10.373 -4.509 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.654 11.665 -4.700 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.401 9.497 -5.723 1.00 0.00 C ATOM 0 H THR B 12 -5.300 11.593 -2.346 1.00 0.00 H new ATOM 0 HA THR B 12 -6.693 9.364 -3.480 1.00 0.00 H new ATOM 0 HB THR B 12 -4.014 10.459 -4.391 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.268 12.073 -5.503 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.972 9.951 -6.617 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.969 8.507 -5.576 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.481 9.408 -5.844 1.00 0.00 H new ATOM 709 N HIS B 13 -3.816 8.899 -1.975 1.00 0.00 N ATOM 710 CA HIS B 13 -2.897 7.879 -1.477 1.00 0.00 C ATOM 711 C HIS B 13 -3.596 6.985 -0.459 1.00 0.00 C ATOM 712 O HIS B 13 -3.307 5.792 -0.357 1.00 0.00 O ATOM 713 CB HIS B 13 -1.681 8.532 -0.817 1.00 0.00 C ATOM 714 CG HIS B 13 -0.836 9.197 -1.869 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.220 8.481 -2.883 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.494 10.510 -2.074 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.455 9.359 -3.647 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.321 10.611 -3.198 1.00 0.00 N ATOM 0 H HIS B 13 -3.630 9.843 -1.635 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.570 7.277 -2.324 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.005 9.265 -0.078 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.095 7.782 -0.286 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.809 11.339 -1.457 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.034 9.086 -4.517 1.00 0.00 H new ATOM 0 HE2 HIS B 13 0.728 11.458 -3.594 1.00 0.00 H new ATOM 726 N GLN B 14 -4.518 7.576 0.296 1.00 0.00 N ATOM 727 CA GLN B 14 -5.255 6.825 1.308 1.00 0.00 C ATOM 728 C GLN B 14 -6.155 5.784 0.652 1.00 0.00 C ATOM 729 O GLN B 14 -6.222 4.635 1.090 1.00 0.00 O ATOM 730 CB GLN B 14 -6.116 7.766 2.152 1.00 0.00 C ATOM 731 CG GLN B 14 -6.242 7.208 3.572 1.00 0.00 C ATOM 732 CD GLN B 14 -6.855 8.267 4.482 1.00 0.00 C ATOM 733 OE1 GLN B 14 -6.691 9.464 4.250 1.00 0.00 O ATOM 734 NE2 GLN B 14 -7.561 7.894 5.514 1.00 0.00 N ATOM 0 H GLN B 14 -4.771 8.562 0.228 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.529 6.325 1.948 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.668 8.760 2.179 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -7.103 7.873 1.703 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.863 6.312 3.568 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.262 6.914 3.947 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -7.697 6.902 5.707 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -7.977 8.595 6.128 1.00 0.00 H new ATOM 743 N GLN B 15 -6.847 6.198 -0.406 1.00 0.00 N ATOM 744 CA GLN B 15 -7.744 5.293 -1.120 1.00 0.00 C ATOM 745 C GLN B 15 -6.960 4.127 -1.714 1.00 0.00 C ATOM 746 O GLN B 15 -7.292 2.962 -1.497 1.00 0.00 O ATOM 747 CB GLN B 15 -8.468 6.033 -2.246 1.00 0.00 C ATOM 748 CG GLN B 15 -9.846 5.406 -2.465 1.00 0.00 C ATOM 749 CD GLN B 15 -10.838 6.489 -2.877 1.00 0.00 C ATOM 750 OE1 GLN B 15 -11.009 7.484 -2.173 1.00 0.00 O ATOM 751 NE2 GLN B 15 -11.511 6.352 -3.988 1.00 0.00 N ATOM 0 H GLN B 15 -6.805 7.144 -0.785 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.477 4.914 -0.408 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.573 7.088 -1.994 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.883 5.981 -3.164 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.789 4.638 -3.236 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -10.184 4.917 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -11.369 5.528 -4.572 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -12.178 7.070 -4.272 1.00 0.00 H new ATOM 760 N ASP B 16 -5.912 4.454 -2.467 1.00 0.00 N ATOM 761 CA ASP B 16 -5.082 3.425 -3.086 1.00 0.00 C ATOM 762 C ASP B 16 -4.431 2.555 -2.016 1.00 0.00 C ATOM 763 O ASP B 16 -4.336 1.336 -2.158 1.00 0.00 O ATOM 764 CB ASP B 16 -3.987 4.064 -3.944 1.00 0.00 C ATOM 765 CG ASP B 16 -3.666 3.154 -5.125 1.00 0.00 C ATOM 766 OD1 ASP B 16 -4.517 3.016 -5.988 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.576 2.608 -5.147 1.00 0.00 O ATOM 0 H ASP B 16 -5.620 5.412 -2.661 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.722 2.809 -3.717 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -4.315 5.040 -4.302 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -3.091 4.229 -3.345 1.00 0.00 H new ATOM 772 N ILE B 17 -3.991 3.198 -0.939 1.00 0.00 N ATOM 773 CA ILE B 17 -3.352 2.483 0.163 1.00 0.00 C ATOM 774 C ILE B 17 -4.332 1.481 0.774 1.00 0.00 C ATOM 775 O ILE B 17 -4.176 0.268 0.636 1.00 0.00 O ATOM 776 CB ILE B 17 -2.878 3.491 1.240 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.524 4.068 0.820 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.731 2.822 2.624 1.00 0.00 C ATOM 779 CD1 ILE B 17 -1.231 5.328 1.636 1.00 0.00 C ATOM 0 H ILE B 17 -4.064 4.207 -0.805 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.487 1.940 -0.218 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.628 4.278 1.322 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.738 3.330 0.977 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.532 4.305 -0.244 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.397 3.561 3.352 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.693 2.415 2.935 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.999 2.017 2.563 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -0.267 5.739 1.337 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -2.012 6.067 1.457 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.205 5.077 2.696 1.00 0.00 H new ATOM 791 N ASP B 18 -5.324 2.020 1.485 1.00 0.00 N ATOM 792 CA ASP B 18 -6.324 1.195 2.165 1.00 0.00 C ATOM 793 C ASP B 18 -6.830 0.060 1.267 1.00 0.00 C ATOM 794 O ASP B 18 -7.193 -1.014 1.747 1.00 0.00 O ATOM 795 CB ASP B 18 -7.511 2.060 2.601 1.00 0.00 C ATOM 796 CG ASP B 18 -7.322 2.503 4.050 1.00 0.00 C ATOM 797 OD1 ASP B 18 -7.065 1.646 4.881 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.436 3.690 4.307 1.00 0.00 O ATOM 0 H ASP B 18 -5.456 3.024 1.605 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.843 0.753 3.038 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.595 2.932 1.952 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.439 1.497 2.501 1.00 0.00 H new ATOM 803 N ASP B 19 -6.840 0.313 -0.039 1.00 0.00 N ATOM 804 CA ASP B 19 -7.292 -0.694 -0.994 1.00 0.00 C ATOM 805 C ASP B 19 -6.240 -1.790 -1.133 1.00 0.00 C ATOM 806 O ASP B 19 -6.556 -2.978 -1.164 1.00 0.00 O ATOM 807 CB ASP B 19 -7.539 -0.062 -2.365 1.00 0.00 C ATOM 808 CG ASP B 19 -8.425 -0.984 -3.197 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.069 -2.142 -3.343 1.00 0.00 O ATOM 810 OD2 ASP B 19 -9.446 -0.519 -3.675 1.00 0.00 O ATOM 0 H ASP B 19 -6.544 1.195 -0.456 1.00 0.00 H new ATOM 0 HA ASP B 19 -8.224 -1.122 -0.624 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -8.016 0.911 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.591 0.107 -2.876 1.00 0.00 H new ATOM 815 N LEU B 20 -4.978 -1.369 -1.206 1.00 0.00 N ATOM 816 CA LEU B 20 -3.874 -2.315 -1.334 1.00 0.00 C ATOM 817 C LEU B 20 -3.711 -3.111 -0.044 1.00 0.00 C ATOM 818 O LEU B 20 -3.506 -4.325 -0.065 1.00 0.00 O ATOM 819 CB LEU B 20 -2.568 -1.575 -1.630 1.00 0.00 C ATOM 820 CG LEU B 20 -2.650 -0.922 -3.010 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.640 0.223 -3.094 1.00 0.00 C ATOM 822 CD2 LEU B 20 -2.331 -1.963 -4.086 1.00 0.00 C ATOM 0 H LEU B 20 -4.698 -0.389 -1.179 1.00 0.00 H new ATOM 0 HA LEU B 20 -4.101 -2.993 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.387 -0.817 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.729 -2.269 -1.594 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.655 -0.531 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.699 0.688 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.866 0.965 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.634 -0.167 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.389 -1.498 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -1.326 -2.353 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -3.051 -2.779 -4.027 1.00 0.00 H new ATOM 834 N LYS B 21 -3.805 -2.410 1.082 1.00 0.00 N ATOM 835 CA LYS B 21 -3.668 -3.053 2.385 1.00 0.00 C ATOM 836 C LYS B 21 -4.772 -4.087 2.588 1.00 0.00 C ATOM 837 O LYS B 21 -4.563 -5.123 3.217 1.00 0.00 O ATOM 838 CB LYS B 21 -3.747 -2.016 3.506 1.00 0.00 C ATOM 839 CG LYS B 21 -2.905 -2.483 4.696 1.00 0.00 C ATOM 840 CD LYS B 21 -1.473 -1.964 4.542 1.00 0.00 C ATOM 841 CE LYS B 21 -0.787 -1.946 5.910 1.00 0.00 C ATOM 842 NZ LYS B 21 0.665 -1.662 5.734 1.00 0.00 N ATOM 0 H LYS B 21 -3.974 -1.405 1.119 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.696 -3.546 2.415 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.387 -1.051 3.149 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.783 -1.876 3.813 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.338 -2.117 5.627 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.905 -3.572 4.750 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -0.917 -2.599 3.853 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -1.482 -0.961 4.115 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.242 -1.188 6.547 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.923 -2.905 6.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 1.131 -1.650 6.663 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 1.094 -2.401 5.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 0.785 -0.737 5.274 1.00 0.00 H new ATOM 856 N ARG B 22 -5.949 -3.791 2.045 1.00 0.00 N ATOM 857 CA ARG B 22 -7.085 -4.701 2.170 1.00 0.00 C ATOM 858 C ARG B 22 -6.773 -6.038 1.505 1.00 0.00 C ATOM 859 O ARG B 22 -6.850 -7.094 2.133 1.00 0.00 O ATOM 860 CB ARG B 22 -8.330 -4.096 1.516 1.00 0.00 C ATOM 861 CG ARG B 22 -9.551 -4.959 1.845 1.00 0.00 C ATOM 862 CD ARG B 22 -9.988 -4.696 3.286 1.00 0.00 C ATOM 863 NE ARG B 22 -10.598 -5.895 3.868 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.128 -5.899 5.100 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.122 -4.820 5.846 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.657 -6.996 5.565 1.00 0.00 N ATOM 0 H ARG B 22 -6.141 -2.938 1.520 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.274 -4.860 3.232 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.484 -3.078 1.874 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.194 -4.036 0.436 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -10.367 -4.730 1.159 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.310 -6.014 1.714 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.128 -4.393 3.883 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.700 -3.871 3.311 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.620 -6.754 3.318 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.709 -3.957 5.492 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.530 -4.844 6.780 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.665 -7.841 4.993 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.063 -7.010 6.501 1.00 0.00 H new ATOM 880 N GLN B 23 -6.419 -5.979 0.225 1.00 0.00 N ATOM 881 CA GLN B 23 -6.095 -7.191 -0.522 1.00 0.00 C ATOM 882 C GLN B 23 -4.871 -7.875 0.078 1.00 0.00 C ATOM 883 O GLN B 23 -4.873 -9.083 0.323 1.00 0.00 O ATOM 884 CB GLN B 23 -5.812 -6.860 -1.988 1.00 0.00 C ATOM 885 CG GLN B 23 -6.156 -8.069 -2.860 1.00 0.00 C ATOM 886 CD GLN B 23 -5.205 -8.125 -4.052 1.00 0.00 C ATOM 887 OE1 GLN B 23 -4.736 -7.093 -4.529 1.00 0.00 O ATOM 888 NE2 GLN B 23 -4.890 -9.284 -4.565 1.00 0.00 N ATOM 0 H GLN B 23 -6.349 -5.115 -0.313 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.953 -7.861 -0.462 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.401 -5.996 -2.297 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.763 -6.593 -2.116 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -6.078 -8.986 -2.276 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -7.187 -7.999 -3.207 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.279 -10.140 -4.169 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -4.255 -9.333 -5.362 1.00 0.00 H new ATOM 897 N ASN B 24 -3.825 -7.090 0.313 1.00 0.00 N ATOM 898 CA ASN B 24 -2.592 -7.626 0.885 1.00 0.00 C ATOM 899 C ASN B 24 -2.852 -8.204 2.273 1.00 0.00 C ATOM 900 O ASN B 24 -2.224 -9.179 2.683 1.00 0.00 O ATOM 901 CB ASN B 24 -1.532 -6.528 0.994 1.00 0.00 C ATOM 902 CG ASN B 24 -1.244 -5.953 -0.390 1.00 0.00 C ATOM 903 OD1 ASN B 24 -2.067 -6.061 -1.300 1.00 0.00 O ATOM 904 ND2 ASN B 24 -0.112 -5.341 -0.605 1.00 0.00 N ATOM 0 H ASN B 24 -3.804 -6.089 0.119 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.232 -8.416 0.225 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.879 -5.739 1.661 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.618 -6.933 1.428 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.091 -4.952 -1.526 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.570 -5.251 0.148 1.00 0.00 H new ATOM 911 N ALA B 25 -3.787 -7.588 2.992 1.00 0.00 N ATOM 912 CA ALA B 25 -4.125 -8.048 4.338 1.00 0.00 C ATOM 913 C ALA B 25 -4.649 -9.481 4.300 1.00 0.00 C ATOM 914 O ALA B 25 -4.443 -10.257 5.233 1.00 0.00 O ATOM 915 CB ALA B 25 -5.191 -7.145 4.962 1.00 0.00 C ATOM 0 H ALA B 25 -4.319 -6.779 2.671 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.218 -8.010 4.941 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.430 -7.503 5.964 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.814 -6.124 5.022 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.090 -7.164 4.346 1.00 0.00 H new ATOM 921 N LEU B 26 -5.329 -9.820 3.209 1.00 0.00 N ATOM 922 CA LEU B 26 -5.882 -11.165 3.057 1.00 0.00 C ATOM 923 C LEU B 26 -4.795 -12.137 2.607 1.00 0.00 C ATOM 924 O LEU B 26 -4.805 -13.313 2.972 1.00 0.00 O ATOM 925 CB LEU B 26 -7.019 -11.163 2.023 1.00 0.00 C ATOM 926 CG LEU B 26 -8.157 -12.093 2.472 1.00 0.00 C ATOM 927 CD1 LEU B 26 -7.631 -13.521 2.652 1.00 0.00 C ATOM 928 CD2 LEU B 26 -8.742 -11.594 3.798 1.00 0.00 C ATOM 0 H LEU B 26 -5.510 -9.192 2.425 1.00 0.00 H new ATOM 0 HA LEU B 26 -6.274 -11.483 4.023 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.399 -10.150 1.894 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -6.638 -11.486 1.054 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.934 -12.092 1.708 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -8.446 -14.171 2.970 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -7.227 -13.882 1.706 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -6.846 -13.527 3.408 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -9.548 -12.257 4.112 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -7.962 -11.585 4.559 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.132 -10.585 3.667 1.00 0.00 H new ATOM 940 N LEU B 27 -3.860 -11.633 1.807 1.00 0.00 N ATOM 941 CA LEU B 27 -2.769 -12.466 1.308 1.00 0.00 C ATOM 942 C LEU B 27 -1.799 -12.813 2.435 1.00 0.00 C ATOM 943 O LEU B 27 -1.485 -13.979 2.666 1.00 0.00 O ATOM 944 CB LEU B 27 -2.004 -11.740 0.200 1.00 0.00 C ATOM 945 CG LEU B 27 -2.702 -11.973 -1.142 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.661 -10.816 -1.428 1.00 0.00 C ATOM 947 CD2 LEU B 27 -1.655 -12.052 -2.255 1.00 0.00 C ATOM 0 H LEU B 27 -3.834 -10.663 1.493 1.00 0.00 H new ATOM 0 HA LEU B 27 -3.204 -13.382 0.910 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -1.956 -10.673 0.416 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -0.977 -12.103 0.155 1.00 0.00 H new ATOM 0 HG LEU B 27 -3.262 -12.907 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.158 -10.983 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.408 -10.758 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -3.102 -9.881 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -2.152 -12.218 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -1.095 -11.118 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -0.971 -12.877 -2.054 1.00 0.00 H new ATOM 959 N GLU B 28 -1.330 -11.783 3.136 1.00 0.00 N ATOM 960 CA GLU B 28 -0.393 -11.982 4.241 1.00 0.00 C ATOM 961 C GLU B 28 -1.016 -12.873 5.310 1.00 0.00 C ATOM 962 O GLU B 28 -0.360 -13.751 5.870 1.00 0.00 O ATOM 963 CB GLU B 28 -0.018 -10.639 4.883 1.00 0.00 C ATOM 964 CG GLU B 28 0.319 -9.602 3.800 1.00 0.00 C ATOM 965 CD GLU B 28 1.745 -9.092 3.989 1.00 0.00 C ATOM 966 OE1 GLU B 28 2.626 -9.913 4.190 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.935 -7.888 3.932 1.00 0.00 O ATOM 0 H GLU B 28 -1.580 -10.810 2.961 1.00 0.00 H new ATOM 0 HA GLU B 28 0.501 -12.456 3.837 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.844 -10.279 5.496 1.00 0.00 H new ATOM 0 HB3 GLU B 28 0.837 -10.772 5.546 1.00 0.00 H new ATOM 0 HG2 GLU B 28 0.212 -10.049 2.812 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.383 -8.770 3.851 1.00 0.00 H new ATOM 974 N GLN B 29 -2.294 -12.631 5.581 1.00 0.00 N ATOM 975 CA GLN B 29 -3.018 -13.412 6.586 1.00 0.00 C ATOM 976 C GLN B 29 -2.982 -14.900 6.243 1.00 0.00 C ATOM 977 O GLN B 29 -2.980 -15.756 7.126 1.00 0.00 O ATOM 978 CB GLN B 29 -4.476 -12.956 6.668 1.00 0.00 C ATOM 979 CG GLN B 29 -5.151 -13.616 7.872 1.00 0.00 C ATOM 980 CD GLN B 29 -6.292 -12.733 8.363 1.00 0.00 C ATOM 981 OE1 GLN B 29 -7.437 -13.178 8.450 1.00 0.00 O ATOM 982 NE2 GLN B 29 -6.047 -11.494 8.693 1.00 0.00 N ATOM 0 H GLN B 29 -2.849 -11.907 5.125 1.00 0.00 H new ATOM 0 HA GLN B 29 -2.530 -13.252 7.547 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -4.524 -11.871 6.760 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -5.003 -13.221 5.752 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -5.531 -14.599 7.595 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -4.425 -13.768 8.671 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -5.099 -11.125 8.621 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -6.804 -10.895 9.023 1.00 0.00 H new ATOM 991 N GLN B 30 -2.950 -15.195 4.945 1.00 0.00 N ATOM 992 CA GLN B 30 -2.910 -16.582 4.489 1.00 0.00 C ATOM 993 C GLN B 30 -1.465 -17.050 4.350 1.00 0.00 C ATOM 994 O GLN B 30 -1.132 -18.193 4.660 1.00 0.00 O ATOM 995 CB GLN B 30 -3.614 -16.724 3.139 1.00 0.00 C ATOM 996 CG GLN B 30 -4.081 -18.170 2.955 1.00 0.00 C ATOM 997 CD GLN B 30 -5.410 -18.370 3.677 1.00 0.00 C ATOM 998 OE1 GLN B 30 -6.428 -17.801 3.285 1.00 0.00 O ATOM 999 NE2 GLN B 30 -5.461 -19.154 4.719 1.00 0.00 N ATOM 0 H GLN B 30 -2.951 -14.500 4.198 1.00 0.00 H new ATOM 0 HA GLN B 30 -3.424 -17.196 5.228 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -4.466 -16.046 3.089 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -2.936 -16.444 2.332 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -4.193 -18.395 1.894 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -3.333 -18.858 3.349 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -4.617 -19.626 5.044 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -6.345 -19.295 5.208 1.00 0.00 H new ATOM 1008 N VAL B 31 -0.610 -16.146 3.878 1.00 0.00 N ATOM 1009 CA VAL B 31 0.805 -16.466 3.699 1.00 0.00 C ATOM 1010 C VAL B 31 1.467 -16.705 5.055 1.00 0.00 C ATOM 1011 O VAL B 31 2.319 -17.581 5.200 1.00 0.00 O ATOM 1012 CB VAL B 31 1.518 -15.318 2.974 1.00 0.00 C ATOM 1013 CG1 VAL B 31 2.983 -15.688 2.718 1.00 0.00 C ATOM 1014 CG2 VAL B 31 0.823 -15.047 1.634 1.00 0.00 C ATOM 0 H VAL B 31 -0.868 -15.195 3.615 1.00 0.00 H new ATOM 0 HA VAL B 31 0.883 -17.372 3.099 1.00 0.00 H new ATOM 0 HB VAL B 31 1.476 -14.425 3.598 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.481 -14.867 2.203 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.482 -15.876 3.669 1.00 0.00 H new ATOM 0 HG13 VAL B 31 3.029 -16.585 2.100 1.00 0.00 H new ATOM 0 HG21 VAL B 31 1.330 -14.231 1.119 1.00 0.00 H new ATOM 0 HG22 VAL B 31 0.861 -15.944 1.017 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -0.217 -14.773 1.812 1.00 0.00 H new ATOM 1024 N ARG B 32 1.065 -15.912 6.045 1.00 0.00 N ATOM 1025 CA ARG B 32 1.627 -16.044 7.387 1.00 0.00 C ATOM 1026 C ARG B 32 1.238 -17.386 7.998 1.00 0.00 C ATOM 1027 O ARG B 32 1.999 -17.981 8.761 1.00 0.00 O ATOM 1028 CB ARG B 32 1.121 -14.919 8.293 1.00 0.00 C ATOM 1029 CG ARG B 32 2.009 -13.684 8.118 1.00 0.00 C ATOM 1030 CD ARG B 32 2.122 -12.942 9.451 1.00 0.00 C ATOM 1031 NE ARG B 32 3.301 -13.392 10.194 1.00 0.00 N ATOM 1032 CZ ARG B 32 3.502 -13.061 11.478 1.00 0.00 C ATOM 1033 NH1 ARG B 32 2.644 -12.316 12.131 1.00 0.00 N ATOM 1034 NH2 ARG B 32 4.572 -13.491 12.089 1.00 0.00 N ATOM 0 H ARG B 32 0.361 -15.180 5.946 1.00 0.00 H new ATOM 0 HA ARG B 32 2.712 -15.983 7.304 1.00 0.00 H new ATOM 0 HB2 ARG B 32 0.088 -14.675 8.045 1.00 0.00 H new ATOM 0 HB3 ARG B 32 1.132 -15.243 9.334 1.00 0.00 H new ATOM 0 HG2 ARG B 32 2.998 -13.981 7.770 1.00 0.00 H new ATOM 0 HG3 ARG B 32 1.588 -13.026 7.358 1.00 0.00 H new ATOM 0 HD2 ARG B 32 2.187 -11.869 9.271 1.00 0.00 H new ATOM 0 HD3 ARG B 32 1.224 -13.112 10.045 1.00 0.00 H new ATOM 0 HE ARG B 32 3.991 -13.975 9.720 1.00 0.00 H new ATOM 0 HH11 ARG B 32 1.804 -11.976 11.663 1.00 0.00 H new ATOM 0 HH12 ARG B 32 2.816 -12.076 13.107 1.00 0.00 H new ATOM 0 HH21 ARG B 32 5.245 -14.073 11.590 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.735 -13.245 13.065 1.00 0.00 H new ATOM 1048 N ALA B 33 0.044 -17.858 7.652 1.00 0.00 N ATOM 1049 CA ALA B 33 -0.440 -19.134 8.170 1.00 0.00 C ATOM 1050 C ALA B 33 0.342 -20.289 7.553 1.00 0.00 C ATOM 1051 O ALA B 33 0.621 -21.292 8.212 1.00 0.00 O ATOM 1052 CB ALA B 33 -1.926 -19.313 7.853 1.00 0.00 C ATOM 0 H ALA B 33 -0.601 -17.382 7.021 1.00 0.00 H new ATOM 0 HA ALA B 33 -0.298 -19.134 9.251 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -2.269 -20.270 8.247 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -2.496 -18.506 8.313 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -2.073 -19.291 6.773 1.00 0.00 H new ATOM 1058 N LEU B 34 0.692 -20.136 6.280 1.00 0.00 N ATOM 1059 CA LEU B 34 1.444 -21.173 5.577 1.00 0.00 C ATOM 1060 C LEU B 34 2.940 -21.002 5.821 1.00 0.00 C ATOM 1061 O LEU B 34 3.513 -19.955 5.516 1.00 0.00 O ATOM 1062 CB LEU B 34 1.172 -21.105 4.072 1.00 0.00 C ATOM 1063 CG LEU B 34 -0.206 -21.697 3.775 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -0.687 -21.213 2.407 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -0.114 -23.226 3.771 1.00 0.00 C ATOM 0 H LEU B 34 0.471 -19.314 5.718 1.00 0.00 H new ATOM 0 HA LEU B 34 1.122 -22.141 5.959 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.217 -20.071 3.730 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.940 -21.654 3.528 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.911 -21.376 4.542 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -1.669 -21.636 2.196 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -0.753 -20.125 2.408 1.00 0.00 H new ATOM 0 HD13 LEU B 34 0.018 -21.533 1.639 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -1.096 -23.649 3.559 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.592 -23.546 3.005 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.228 -23.572 4.746 1.00 0.00 H new HETATM 1077 N NH2 B 35 3.614 -21.982 6.356 1.00 0.00 N TER 1080 NH2 B 35