USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ 149:sc= 1.92 (180deg=-0.632) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.378 K(o=1.5,f=-5.5) USER MOD Single : A 3 THR OG1 : rot 29:sc= 0.129 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0065 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 7 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.27) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 83:sc= 0.44 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -48:sc= 0.768 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -133:sc= 0.326 (180deg=-0.0785) USER MOD Single : A 24 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.62) USER MOD Single : A 25 TYR OH : rot 180:sc=-0.00516 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 33 GLN : amide:sc= -0.969 X(o=-0.97,f=-1.4!) USER MOD Single : A 34 HIS : no HE2:sc= 0.00479 X(o=0.0048,f=-0.41) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.64! K(o=-2.6!,f=-1.3) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 136:sc= -11.9! (180deg=-13.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 69:sc= -3.31! USER MOD Single : A 63 TYR OH : rot 35:sc= 0.046 USER MOD Single : A 69 LYS NZ :NH3+ -122:sc= -0.994 (180deg=-2.94!) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= -1.37 (180deg=-2.11) USER MOD Single : A 73 TYR OH : rot -11:sc= -2.84! USER MOD Single : B 175 SER OG : rot 61:sc= 0.418 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 16.860 -10.900 -2.599 1.00 1.00 N ATOM 2 CA THR A 3 16.241 -9.641 -3.021 1.00 1.00 C ATOM 3 C THR A 3 16.338 -8.600 -1.911 1.00 1.00 C ATOM 4 O THR A 3 16.025 -8.881 -0.753 1.00 1.00 O ATOM 5 CB THR A 3 14.769 -9.874 -3.383 1.00 1.00 C ATOM 6 OG1 THR A 3 14.688 -10.850 -4.409 1.00 1.00 O ATOM 7 CG2 THR A 3 14.154 -8.564 -3.878 1.00 1.00 C ATOM 0 HA THR A 3 16.773 -9.272 -3.898 1.00 1.00 H new ATOM 0 HB THR A 3 14.226 -10.221 -2.504 1.00 1.00 H new ATOM 0 HG1 THR A 3 15.448 -11.464 -4.337 1.00 1.00 H new ATOM 0 HG21 THR A 3 13.108 -8.728 -4.136 1.00 1.00 H new ATOM 0 HG22 THR A 3 14.221 -7.811 -3.093 1.00 1.00 H new ATOM 0 HG23 THR A 3 14.695 -8.218 -4.759 1.00 1.00 H new ATOM 15 N SER A 4 16.770 -7.396 -2.274 1.00 1.00 N ATOM 16 CA SER A 4 16.905 -6.317 -1.303 1.00 1.00 C ATOM 17 C SER A 4 15.573 -6.071 -0.609 1.00 1.00 C ATOM 18 O SER A 4 14.513 -6.385 -1.150 1.00 1.00 O ATOM 19 CB SER A 4 17.369 -5.038 -1.998 1.00 1.00 C ATOM 20 OG SER A 4 18.443 -5.348 -2.877 1.00 1.00 O ATOM 0 H SER A 4 17.031 -7.145 -3.227 1.00 1.00 H new ATOM 0 HA SER A 4 17.648 -6.606 -0.559 1.00 1.00 H new ATOM 0 HB2 SER A 4 16.545 -4.592 -2.555 1.00 1.00 H new ATOM 0 HB3 SER A 4 17.688 -4.303 -1.259 1.00 1.00 H new ATOM 0 HG SER A 4 18.744 -4.531 -3.327 1.00 1.00 H new ATOM 26 N THR A 5 15.631 -5.528 0.599 1.00 1.00 N ATOM 27 CA THR A 5 14.418 -5.272 1.361 1.00 1.00 C ATOM 28 C THR A 5 13.521 -4.295 0.616 1.00 1.00 C ATOM 29 O THR A 5 12.318 -4.522 0.468 1.00 1.00 O ATOM 30 CB THR A 5 14.782 -4.672 2.721 1.00 1.00 C ATOM 31 OG1 THR A 5 15.878 -5.386 3.273 1.00 1.00 O ATOM 32 CG2 THR A 5 13.592 -4.781 3.673 1.00 1.00 C ATOM 0 H THR A 5 16.496 -5.259 1.068 1.00 1.00 H new ATOM 0 HA THR A 5 13.889 -6.215 1.498 1.00 1.00 H new ATOM 0 HB THR A 5 15.048 -3.623 2.587 1.00 1.00 H new ATOM 0 HG1 THR A 5 16.114 -5.002 4.143 1.00 1.00 H new ATOM 0 HG21 THR A 5 13.858 -4.352 4.639 1.00 1.00 H new ATOM 0 HG22 THR A 5 12.743 -4.239 3.257 1.00 1.00 H new ATOM 0 HG23 THR A 5 13.325 -5.830 3.803 1.00 1.00 H new ATOM 40 N LEU A 6 14.110 -3.203 0.152 1.00 1.00 N ATOM 41 CA LEU A 6 13.346 -2.200 -0.567 1.00 1.00 C ATOM 42 C LEU A 6 12.848 -2.749 -1.892 1.00 1.00 C ATOM 43 O LEU A 6 11.704 -2.515 -2.284 1.00 1.00 O ATOM 44 CB LEU A 6 14.216 -0.960 -0.809 1.00 1.00 C ATOM 45 CG LEU A 6 13.332 0.290 -1.053 1.00 1.00 C ATOM 46 CD1 LEU A 6 14.058 1.533 -0.559 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.029 0.452 -2.541 1.00 1.00 C ATOM 0 H LEU A 6 15.102 -2.992 0.259 1.00 1.00 H new ATOM 0 HA LEU A 6 12.482 -1.924 0.037 1.00 1.00 H new ATOM 0 HB2 LEU A 6 14.864 -0.791 0.051 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.864 -1.127 -1.669 1.00 1.00 H new ATOM 0 HG LEU A 6 12.396 0.161 -0.510 1.00 1.00 H new ATOM 0 HD11 LEU A 6 13.435 2.411 -0.731 1.00 1.00 H new ATOM 0 HD12 LEU A 6 14.261 1.436 0.507 1.00 1.00 H new ATOM 0 HD13 LEU A 6 14.998 1.644 -1.099 1.00 1.00 H new ATOM 0 HD21 LEU A 6 12.408 1.335 -2.692 1.00 1.00 H new ATOM 0 HD22 LEU A 6 13.962 0.567 -3.092 1.00 1.00 H new ATOM 0 HD23 LEU A 6 12.500 -0.430 -2.903 1.00 1.00 H new ATOM 59 N GLN A 7 13.711 -3.482 -2.577 1.00 1.00 N ATOM 60 CA GLN A 7 13.346 -4.056 -3.857 1.00 1.00 C ATOM 61 C GLN A 7 12.117 -4.924 -3.695 1.00 1.00 C ATOM 62 O GLN A 7 11.180 -4.856 -4.491 1.00 1.00 O ATOM 63 CB GLN A 7 14.513 -4.880 -4.401 1.00 1.00 C ATOM 64 CG GLN A 7 14.130 -5.520 -5.742 1.00 1.00 C ATOM 65 CD GLN A 7 13.800 -4.437 -6.764 1.00 1.00 C ATOM 66 OE1 GLN A 7 14.668 -3.645 -7.134 1.00 1.00 O ATOM 67 NE2 GLN A 7 12.587 -4.348 -7.238 1.00 1.00 N ATOM 0 H GLN A 7 14.661 -3.691 -2.269 1.00 1.00 H new ATOM 0 HA GLN A 7 13.120 -3.258 -4.564 1.00 1.00 H new ATOM 0 HB2 GLN A 7 15.388 -4.243 -4.530 1.00 1.00 H new ATOM 0 HB3 GLN A 7 14.786 -5.655 -3.685 1.00 1.00 H new ATOM 0 HG2 GLN A 7 14.951 -6.137 -6.107 1.00 1.00 H new ATOM 0 HG3 GLN A 7 13.272 -6.178 -5.608 1.00 1.00 H new ATOM 0 HE21 GLN A 7 11.870 -5.005 -6.930 1.00 1.00 H new ATOM 0 HE22 GLN A 7 12.356 -3.622 -7.916 1.00 1.00 H new ATOM 76 N LYS A 8 12.121 -5.734 -2.656 1.00 1.00 N ATOM 77 CA LYS A 8 10.997 -6.603 -2.399 1.00 1.00 C ATOM 78 C LYS A 8 9.768 -5.767 -2.113 1.00 1.00 C ATOM 79 O LYS A 8 8.661 -6.109 -2.528 1.00 1.00 O ATOM 80 CB LYS A 8 11.289 -7.483 -1.194 1.00 1.00 C ATOM 81 CG LYS A 8 10.242 -8.602 -1.072 1.00 1.00 C ATOM 82 CD LYS A 8 10.524 -9.718 -2.085 1.00 1.00 C ATOM 83 CE LYS A 8 9.745 -10.980 -1.703 1.00 1.00 C ATOM 84 NZ LYS A 8 10.009 -12.050 -2.710 1.00 1.00 N ATOM 0 H LYS A 8 12.884 -5.807 -1.983 1.00 1.00 H new ATOM 0 HA LYS A 8 10.824 -7.230 -3.274 1.00 1.00 H new ATOM 0 HB2 LYS A 8 12.284 -7.918 -1.288 1.00 1.00 H new ATOM 0 HB3 LYS A 8 11.289 -6.878 -0.287 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.254 -9.010 -0.061 1.00 1.00 H new ATOM 0 HG3 LYS A 8 9.245 -8.194 -1.240 1.00 1.00 H new ATOM 0 HD2 LYS A 8 10.238 -9.393 -3.086 1.00 1.00 H new ATOM 0 HD3 LYS A 8 11.592 -9.934 -2.113 1.00 1.00 H new ATOM 0 HE2 LYS A 8 10.043 -11.318 -0.710 1.00 1.00 H new ATOM 0 HE3 LYS A 8 8.678 -10.762 -1.659 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 9.481 -12.908 -2.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 9.704 -11.725 -3.650 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 11.027 -12.264 -2.731 1.00 1.00 H new ATOM 98 N ALA A 9 9.961 -4.672 -1.379 1.00 1.00 N ATOM 99 CA ALA A 9 8.837 -3.828 -1.035 1.00 1.00 C ATOM 100 C ALA A 9 8.157 -3.312 -2.300 1.00 1.00 C ATOM 101 O ALA A 9 6.930 -3.299 -2.404 1.00 1.00 O ATOM 102 CB ALA A 9 9.323 -2.656 -0.168 1.00 1.00 C ATOM 0 H ALA A 9 10.864 -4.361 -1.022 1.00 1.00 H new ATOM 0 HA ALA A 9 8.109 -4.410 -0.470 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.477 -2.020 0.091 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.779 -3.042 0.743 1.00 1.00 H new ATOM 0 HB3 ALA A 9 10.058 -2.073 -0.723 1.00 1.00 H new ATOM 108 N ILE A 10 8.977 -2.902 -3.258 1.00 1.00 N ATOM 109 CA ILE A 10 8.467 -2.395 -4.527 1.00 1.00 C ATOM 110 C ILE A 10 7.764 -3.515 -5.292 1.00 1.00 C ATOM 111 O ILE A 10 6.747 -3.317 -5.939 1.00 1.00 O ATOM 112 CB ILE A 10 9.609 -1.804 -5.361 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.138 -0.539 -4.677 1.00 1.00 C ATOM 114 CG2 ILE A 10 9.092 -1.438 -6.753 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.484 -0.155 -5.299 1.00 1.00 C ATOM 0 H ILE A 10 9.994 -2.910 -3.183 1.00 1.00 H new ATOM 0 HA ILE A 10 7.744 -1.604 -4.328 1.00 1.00 H new ATOM 0 HB ILE A 10 10.408 -2.540 -5.448 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.424 0.277 -4.793 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.254 -0.711 -3.607 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.906 -1.018 -7.344 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.709 -2.332 -7.246 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.292 -0.703 -6.662 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.865 0.745 -4.816 1.00 1.00 H new ATOM 0 HD12 ILE A 10 12.195 -0.970 -5.160 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.352 0.034 -6.364 1.00 1.00 H new ATOM 127 N ASP A 11 8.338 -4.688 -5.273 1.00 1.00 N ATOM 128 CA ASP A 11 7.747 -5.789 -6.003 1.00 1.00 C ATOM 129 C ASP A 11 6.346 -6.085 -5.475 1.00 1.00 C ATOM 130 O ASP A 11 5.399 -6.269 -6.248 1.00 1.00 O ATOM 131 CB ASP A 11 8.629 -7.015 -5.846 1.00 1.00 C ATOM 132 CG ASP A 11 8.280 -8.066 -6.893 1.00 1.00 C ATOM 133 OD1 ASP A 11 7.733 -7.699 -7.918 1.00 1.00 O ATOM 134 OD2 ASP A 11 8.570 -9.227 -6.653 1.00 1.00 O ATOM 0 H ASP A 11 9.198 -4.909 -4.772 1.00 1.00 H new ATOM 0 HA ASP A 11 7.668 -5.523 -7.057 1.00 1.00 H new ATOM 0 HB2 ASP A 11 9.677 -6.731 -5.944 1.00 1.00 H new ATOM 0 HB3 ASP A 11 8.504 -7.434 -4.847 1.00 1.00 H new ATOM 139 N LEU A 12 6.219 -6.136 -4.154 1.00 1.00 N ATOM 140 CA LEU A 12 4.942 -6.422 -3.528 1.00 1.00 C ATOM 141 C LEU A 12 3.928 -5.323 -3.816 1.00 1.00 C ATOM 142 O LEU A 12 2.772 -5.602 -4.124 1.00 1.00 O ATOM 143 CB LEU A 12 5.135 -6.524 -2.011 1.00 1.00 C ATOM 144 CG LEU A 12 6.114 -7.660 -1.668 1.00 1.00 C ATOM 145 CD1 LEU A 12 6.752 -7.402 -0.295 1.00 1.00 C ATOM 146 CD2 LEU A 12 5.380 -9.004 -1.646 1.00 1.00 C ATOM 0 H LEU A 12 6.986 -5.983 -3.500 1.00 1.00 H new ATOM 0 HA LEU A 12 4.567 -7.361 -3.935 1.00 1.00 H new ATOM 0 HB2 LEU A 12 5.515 -5.579 -1.622 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.175 -6.705 -1.528 1.00 1.00 H new ATOM 0 HG LEU A 12 6.893 -7.692 -2.430 1.00 1.00 H new ATOM 0 HD11 LEU A 12 7.444 -8.210 -0.058 1.00 1.00 H new ATOM 0 HD12 LEU A 12 7.293 -6.456 -0.317 1.00 1.00 H new ATOM 0 HD13 LEU A 12 5.973 -7.357 0.466 1.00 1.00 H new ATOM 0 HD21 LEU A 12 6.084 -9.799 -1.402 1.00 1.00 H new ATOM 0 HD22 LEU A 12 4.591 -8.975 -0.895 1.00 1.00 H new ATOM 0 HD23 LEU A 12 4.942 -9.195 -2.626 1.00 1.00 H new ATOM 158 N VAL A 13 4.366 -4.071 -3.726 1.00 1.00 N ATOM 159 CA VAL A 13 3.461 -2.956 -3.977 1.00 1.00 C ATOM 160 C VAL A 13 3.030 -2.925 -5.442 1.00 1.00 C ATOM 161 O VAL A 13 1.870 -2.653 -5.761 1.00 1.00 O ATOM 162 CB VAL A 13 4.123 -1.627 -3.568 1.00 1.00 C ATOM 163 CG1 VAL A 13 5.022 -1.115 -4.684 1.00 1.00 C ATOM 164 CG2 VAL A 13 3.054 -0.572 -3.280 1.00 1.00 C ATOM 0 H VAL A 13 5.322 -3.807 -3.486 1.00 1.00 H new ATOM 0 HA VAL A 13 2.566 -3.094 -3.370 1.00 1.00 H new ATOM 0 HB VAL A 13 4.718 -1.807 -2.672 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.482 -0.175 -4.378 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.800 -1.850 -4.890 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.429 -0.953 -5.584 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.534 0.363 -2.992 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.452 -0.410 -4.174 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.413 -0.916 -2.468 1.00 1.00 H new ATOM 174 N THR A 14 3.975 -3.215 -6.329 1.00 1.00 N ATOM 175 CA THR A 14 3.684 -3.218 -7.755 1.00 1.00 C ATOM 176 C THR A 14 2.568 -4.214 -8.046 1.00 1.00 C ATOM 177 O THR A 14 1.585 -3.902 -8.744 1.00 1.00 O ATOM 178 CB THR A 14 4.957 -3.590 -8.536 1.00 1.00 C ATOM 179 OG1 THR A 14 5.835 -2.473 -8.564 1.00 1.00 O ATOM 180 CG2 THR A 14 4.610 -4.000 -9.972 1.00 1.00 C ATOM 0 H THR A 14 4.938 -3.448 -6.088 1.00 1.00 H new ATOM 0 HA THR A 14 3.357 -2.226 -8.067 1.00 1.00 H new ATOM 0 HB THR A 14 5.439 -4.432 -8.039 1.00 1.00 H new ATOM 0 HG1 THR A 14 6.356 -2.446 -7.735 1.00 1.00 H new ATOM 0 HG21 THR A 14 5.524 -4.259 -10.507 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.943 -4.862 -9.953 1.00 1.00 H new ATOM 0 HG23 THR A 14 4.116 -3.170 -10.478 1.00 1.00 H new ATOM 188 N LYS A 15 2.704 -5.413 -7.504 1.00 1.00 N ATOM 189 CA LYS A 15 1.690 -6.407 -7.730 1.00 1.00 C ATOM 190 C LYS A 15 0.381 -5.927 -7.127 1.00 1.00 C ATOM 191 O LYS A 15 -0.683 -6.130 -7.688 1.00 1.00 O ATOM 192 CB LYS A 15 2.137 -7.750 -7.135 1.00 1.00 C ATOM 193 CG LYS A 15 1.358 -8.925 -7.774 1.00 1.00 C ATOM 194 CD LYS A 15 2.253 -10.170 -7.814 1.00 1.00 C ATOM 195 CE LYS A 15 2.695 -10.540 -6.398 1.00 1.00 C ATOM 196 NZ LYS A 15 3.493 -11.790 -6.451 1.00 1.00 N ATOM 0 H LYS A 15 3.487 -5.709 -6.921 1.00 1.00 H new ATOM 0 HA LYS A 15 1.537 -6.558 -8.799 1.00 1.00 H new ATOM 0 HB2 LYS A 15 3.206 -7.886 -7.298 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.977 -7.746 -6.057 1.00 1.00 H new ATOM 0 HG2 LYS A 15 0.455 -9.132 -7.200 1.00 1.00 H new ATOM 0 HG3 LYS A 15 1.041 -8.659 -8.782 1.00 1.00 H new ATOM 0 HD2 LYS A 15 1.713 -11.002 -8.265 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.126 -9.981 -8.439 1.00 1.00 H new ATOM 0 HE2 LYS A 15 3.287 -9.733 -5.966 1.00 1.00 H new ATOM 0 HE3 LYS A 15 1.825 -10.676 -5.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 3.798 -12.048 -5.491 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 2.912 -12.556 -6.848 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 4.329 -11.643 -7.052 1.00 1.00 H new ATOM 210 N ALA A 16 0.455 -5.282 -5.979 1.00 1.00 N ATOM 211 CA ALA A 16 -0.752 -4.793 -5.334 1.00 1.00 C ATOM 212 C ALA A 16 -1.557 -3.927 -6.279 1.00 1.00 C ATOM 213 O ALA A 16 -2.782 -4.035 -6.347 1.00 1.00 O ATOM 214 CB ALA A 16 -0.376 -3.973 -4.091 1.00 1.00 C ATOM 0 H ALA A 16 1.322 -5.086 -5.479 1.00 1.00 H new ATOM 0 HA ALA A 16 -1.358 -5.652 -5.045 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.282 -3.607 -3.609 1.00 1.00 H new ATOM 0 HB2 ALA A 16 0.177 -4.602 -3.394 1.00 1.00 H new ATOM 0 HB3 ALA A 16 0.244 -3.127 -4.387 1.00 1.00 H new ATOM 220 N THR A 17 -0.875 -3.051 -6.990 1.00 1.00 N ATOM 221 CA THR A 17 -1.560 -2.160 -7.893 1.00 1.00 C ATOM 222 C THR A 17 -2.243 -2.939 -9.005 1.00 1.00 C ATOM 223 O THR A 17 -3.368 -2.619 -9.399 1.00 1.00 O ATOM 224 CB THR A 17 -0.568 -1.163 -8.505 1.00 1.00 C ATOM 225 OG1 THR A 17 0.418 -1.881 -9.234 1.00 1.00 O ATOM 226 CG2 THR A 17 0.120 -0.340 -7.404 1.00 1.00 C ATOM 0 H THR A 17 0.139 -2.941 -6.959 1.00 1.00 H new ATOM 0 HA THR A 17 -2.317 -1.619 -7.325 1.00 1.00 H new ATOM 0 HB THR A 17 -1.109 -0.484 -9.164 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.763 -2.614 -8.683 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.820 0.362 -7.858 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.631 0.211 -6.839 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.660 -1.009 -6.734 1.00 1.00 H new ATOM 234 N GLU A 18 -1.581 -3.982 -9.492 1.00 1.00 N ATOM 235 CA GLU A 18 -2.185 -4.785 -10.540 1.00 1.00 C ATOM 236 C GLU A 18 -3.439 -5.489 -10.010 1.00 1.00 C ATOM 237 O GLU A 18 -4.451 -5.595 -10.710 1.00 1.00 O ATOM 238 CB GLU A 18 -1.151 -5.799 -11.110 1.00 1.00 C ATOM 239 CG GLU A 18 -1.376 -7.211 -10.540 1.00 1.00 C ATOM 240 CD GLU A 18 -0.249 -8.152 -10.970 1.00 1.00 C ATOM 241 OE1 GLU A 18 0.889 -7.711 -10.990 1.00 1.00 O ATOM 242 OE2 GLU A 18 -0.539 -9.304 -11.250 1.00 1.00 O ATOM 0 H GLU A 18 -0.655 -4.283 -9.188 1.00 1.00 H new ATOM 0 HA GLU A 18 -2.491 -4.134 -11.359 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.228 -5.827 -12.197 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.141 -5.465 -10.871 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.424 -7.166 -9.452 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -2.334 -7.600 -10.886 1.00 1.00 H new ATOM 249 N GLU A 19 -3.366 -5.969 -8.777 1.00 1.00 N ATOM 250 CA GLU A 19 -4.488 -6.663 -8.169 1.00 1.00 C ATOM 251 C GLU A 19 -5.631 -5.699 -7.896 1.00 1.00 C ATOM 252 O GLU A 19 -6.798 -6.009 -8.142 1.00 1.00 O ATOM 253 CB GLU A 19 -4.031 -7.311 -6.857 1.00 1.00 C ATOM 254 CG GLU A 19 -3.073 -8.480 -7.136 1.00 1.00 C ATOM 255 CD GLU A 19 -3.775 -9.577 -7.937 1.00 1.00 C ATOM 256 OE1 GLU A 19 -4.849 -9.985 -7.529 1.00 1.00 O ATOM 257 OE2 GLU A 19 -3.227 -9.987 -8.948 1.00 1.00 O ATOM 0 H GLU A 19 -2.543 -5.890 -8.180 1.00 1.00 H new ATOM 0 HA GLU A 19 -4.843 -7.431 -8.856 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -3.535 -6.569 -6.232 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -4.897 -7.669 -6.301 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.204 -8.120 -7.687 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -2.707 -8.889 -6.194 1.00 1.00 H new ATOM 264 N ASP A 20 -5.295 -4.522 -7.395 1.00 1.00 N ATOM 265 CA ASP A 20 -6.305 -3.525 -7.101 1.00 1.00 C ATOM 266 C ASP A 20 -7.115 -3.241 -8.357 1.00 1.00 C ATOM 267 O ASP A 20 -8.341 -3.139 -8.307 1.00 1.00 O ATOM 268 CB ASP A 20 -5.636 -2.241 -6.614 1.00 1.00 C ATOM 269 CG ASP A 20 -6.667 -1.324 -5.969 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.299 -1.750 -5.017 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.813 -0.208 -6.439 1.00 1.00 O ATOM 0 H ASP A 20 -4.338 -4.237 -7.186 1.00 1.00 H new ATOM 0 HA ASP A 20 -6.968 -3.898 -6.320 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -4.852 -2.480 -5.896 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.158 -1.731 -7.450 1.00 1.00 H new ATOM 276 N LYS A 21 -6.424 -3.135 -9.486 1.00 1.00 N ATOM 277 CA LYS A 21 -7.104 -2.886 -10.750 1.00 1.00 C ATOM 278 C LYS A 21 -7.985 -4.074 -11.100 1.00 1.00 C ATOM 279 O LYS A 21 -9.100 -3.911 -11.590 1.00 1.00 O ATOM 280 CB LYS A 21 -6.090 -2.654 -11.860 1.00 1.00 C ATOM 281 CG LYS A 21 -5.335 -1.342 -11.600 1.00 1.00 C ATOM 282 CD LYS A 21 -4.234 -1.134 -12.680 1.00 1.00 C ATOM 283 CE LYS A 21 -2.877 -0.878 -12.010 1.00 1.00 C ATOM 284 NZ LYS A 21 -1.891 -0.450 -13.040 1.00 1.00 N ATOM 0 H LYS A 21 -5.409 -3.216 -9.552 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.722 -1.994 -10.647 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.388 -3.487 -11.905 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.595 -2.610 -12.825 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -6.032 -0.504 -11.614 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -4.883 -1.364 -10.608 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.172 -2.014 -13.320 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.497 -0.292 -13.320 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.976 -0.109 -11.244 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.529 -1.782 -11.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -0.971 -0.276 -12.588 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -1.790 -1.198 -13.755 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -2.223 0.423 -13.497 1.00 1.00 H new ATOM 298 N ALA A 22 -7.470 -5.274 -10.840 1.00 1.00 N ATOM 299 CA ALA A 22 -8.218 -6.486 -11.140 1.00 1.00 C ATOM 300 C ALA A 22 -9.362 -6.675 -10.150 1.00 1.00 C ATOM 301 O ALA A 22 -9.983 -7.736 -10.100 1.00 1.00 O ATOM 302 CB ALA A 22 -7.291 -7.699 -11.100 1.00 1.00 C ATOM 0 H ALA A 22 -6.550 -5.429 -10.428 1.00 1.00 H new ATOM 0 HA ALA A 22 -8.639 -6.389 -12.141 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -7.861 -8.600 -11.326 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -6.499 -7.576 -11.839 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -6.851 -7.788 -10.107 1.00 1.00 H new ATOM 308 N LYS A 23 -9.628 -5.629 -9.377 1.00 1.00 N ATOM 309 CA LYS A 23 -10.690 -5.654 -8.381 1.00 1.00 C ATOM 310 C LYS A 23 -10.390 -6.662 -7.282 1.00 1.00 C ATOM 311 O LYS A 23 -11.290 -7.197 -6.644 1.00 1.00 O ATOM 312 CB LYS A 23 -12.030 -6.016 -9.042 1.00 1.00 C ATOM 313 CG LYS A 23 -12.240 -5.163 -10.290 1.00 1.00 C ATOM 314 CD LYS A 23 -12.310 -3.682 -9.912 1.00 1.00 C ATOM 315 CE LYS A 23 -12.910 -2.879 -11.060 1.00 1.00 C ATOM 316 NZ LYS A 23 -11.990 -2.912 -12.220 1.00 1.00 N ATOM 0 H LYS A 23 -9.118 -4.747 -9.422 1.00 1.00 H new ATOM 0 HA LYS A 23 -10.752 -4.660 -7.939 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.041 -7.073 -9.307 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -12.847 -5.855 -8.339 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.424 -5.328 -10.994 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.160 -5.461 -10.793 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -12.915 -3.556 -9.014 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.312 -3.310 -9.680 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -13.879 -3.292 -11.339 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -13.081 -1.849 -10.747 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -11.874 -1.950 -12.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -11.065 -3.280 -11.919 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -12.384 -3.529 -12.958 1.00 1.00 H new ATOM 330 N ASN A 24 -9.105 -6.916 -7.064 1.00 1.00 N ATOM 331 CA ASN A 24 -8.679 -7.864 -6.036 1.00 1.00 C ATOM 332 C ASN A 24 -8.281 -7.115 -4.757 1.00 1.00 C ATOM 333 O ASN A 24 -7.118 -7.089 -4.368 1.00 1.00 O ATOM 334 CB ASN A 24 -7.496 -8.700 -6.571 1.00 1.00 C ATOM 335 CG ASN A 24 -7.933 -10.110 -6.968 1.00 1.00 C ATOM 336 OD1 ASN A 24 -9.040 -10.300 -7.467 1.00 1.00 O ATOM 337 ND2 ASN A 24 -7.109 -11.100 -6.761 1.00 1.00 N ATOM 0 H ASN A 24 -8.341 -6.482 -7.582 1.00 1.00 H new ATOM 0 HA ASN A 24 -9.504 -8.533 -5.793 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -7.057 -8.199 -7.434 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -6.719 -8.761 -5.809 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -7.380 -12.050 -7.014 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -6.194 -10.924 -6.346 1.00 1.00 H new ATOM 344 N TYR A 25 -9.258 -6.498 -4.118 1.00 1.00 N ATOM 345 CA TYR A 25 -8.997 -5.745 -2.898 1.00 1.00 C ATOM 346 C TYR A 25 -8.319 -6.630 -1.856 1.00 1.00 C ATOM 347 O TYR A 25 -7.409 -6.187 -1.160 1.00 1.00 O ATOM 348 CB TYR A 25 -10.310 -5.206 -2.334 1.00 1.00 C ATOM 349 CG TYR A 25 -11.180 -4.693 -3.464 1.00 1.00 C ATOM 350 CD1 TYR A 25 -10.630 -3.896 -4.481 1.00 1.00 C ATOM 351 CD2 TYR A 25 -12.540 -5.016 -3.490 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.440 -3.431 -5.519 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.350 -4.545 -4.532 1.00 1.00 C ATOM 354 CZ TYR A 25 -12.800 -3.755 -5.547 1.00 1.00 C ATOM 355 OH TYR A 25 -13.600 -3.293 -6.574 1.00 1.00 O ATOM 0 H TYR A 25 -10.233 -6.501 -4.418 1.00 1.00 H new ATOM 0 HA TYR A 25 -8.333 -4.914 -3.138 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -10.832 -5.992 -1.788 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.110 -4.404 -1.624 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -9.580 -3.643 -4.460 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -12.966 -5.628 -2.708 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.015 -2.820 -6.302 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -14.401 -4.792 -4.551 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.518 -3.610 -6.442 1.00 1.00 H new ATOM 365 N GLU A 26 -8.767 -7.872 -1.740 1.00 1.00 N ATOM 366 CA GLU A 26 -8.181 -8.782 -0.764 1.00 1.00 C ATOM 367 C GLU A 26 -6.697 -9.024 -1.042 1.00 1.00 C ATOM 368 O GLU A 26 -5.848 -8.849 -0.159 1.00 1.00 O ATOM 369 CB GLU A 26 -8.935 -10.120 -0.808 1.00 1.00 C ATOM 370 CG GLU A 26 -10.170 -10.050 0.079 1.00 1.00 C ATOM 371 CD GLU A 26 -10.970 -11.340 -0.050 1.00 1.00 C ATOM 372 OE1 GLU A 26 -10.520 -12.230 -0.751 1.00 1.00 O ATOM 373 OE2 GLU A 26 -12.030 -11.420 0.553 1.00 1.00 O ATOM 0 H GLU A 26 -9.522 -8.269 -2.299 1.00 1.00 H new ATOM 0 HA GLU A 26 -8.268 -8.328 0.223 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -9.226 -10.350 -1.833 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -8.282 -10.926 -0.474 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -9.875 -9.896 1.117 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -10.787 -9.198 -0.207 1.00 1.00 H new ATOM 380 N GLU A 27 -6.386 -9.424 -2.267 1.00 1.00 N ATOM 381 CA GLU A 27 -5.001 -9.690 -2.621 1.00 1.00 C ATOM 382 C GLU A 27 -4.193 -8.397 -2.561 1.00 1.00 C ATOM 383 O GLU A 27 -3.100 -8.351 -1.985 1.00 1.00 O ATOM 384 CB GLU A 27 -4.932 -10.290 -4.034 1.00 1.00 C ATOM 385 CG GLU A 27 -3.640 -11.080 -4.208 1.00 1.00 C ATOM 386 CD GLU A 27 -3.710 -12.380 -3.405 1.00 1.00 C ATOM 387 OE1 GLU A 27 -4.775 -12.670 -2.887 1.00 1.00 O ATOM 388 OE2 GLU A 27 -2.700 -13.060 -3.323 1.00 1.00 O ATOM 0 H GLU A 27 -7.060 -9.569 -3.019 1.00 1.00 H new ATOM 0 HA GLU A 27 -4.580 -10.403 -1.912 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -5.790 -10.941 -4.203 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -4.983 -9.495 -4.778 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -3.479 -11.303 -5.263 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -2.791 -10.483 -3.875 1.00 1.00 H new ATOM 395 N ALA A 28 -4.746 -7.344 -3.156 1.00 1.00 N ATOM 396 CA ALA A 28 -4.082 -6.051 -3.170 1.00 1.00 C ATOM 397 C ALA A 28 -3.769 -5.606 -1.750 1.00 1.00 C ATOM 398 O ALA A 28 -2.665 -5.136 -1.472 1.00 1.00 O ATOM 399 CB ALA A 28 -4.971 -5.010 -3.864 1.00 1.00 C ATOM 0 H ALA A 28 -5.648 -7.363 -3.632 1.00 1.00 H new ATOM 0 HA ALA A 28 -3.147 -6.143 -3.723 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -4.465 -4.045 -3.869 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -5.165 -5.323 -4.890 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -5.915 -4.921 -3.326 1.00 1.00 H new ATOM 405 N LEU A 29 -4.734 -5.757 -0.844 1.00 1.00 N ATOM 406 CA LEU A 29 -4.532 -5.356 0.537 1.00 1.00 C ATOM 407 C LEU A 29 -3.354 -6.085 1.142 1.00 1.00 C ATOM 408 O LEU A 29 -2.510 -5.475 1.800 1.00 1.00 O ATOM 409 CB LEU A 29 -5.795 -5.694 1.342 1.00 1.00 C ATOM 410 CG LEU A 29 -5.601 -5.386 2.840 1.00 1.00 C ATOM 411 CD1 LEU A 29 -5.532 -3.889 3.079 1.00 1.00 C ATOM 412 CD2 LEU A 29 -6.761 -5.971 3.643 1.00 1.00 C ATOM 0 H LEU A 29 -5.653 -6.151 -1.044 1.00 1.00 H new ATOM 0 HA LEU A 29 -4.332 -4.285 0.566 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -6.639 -5.122 0.957 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -6.040 -6.748 1.214 1.00 1.00 H new ATOM 0 HG LEU A 29 -4.663 -5.837 3.162 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -5.395 -3.696 4.143 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -4.693 -3.470 2.523 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -6.458 -3.424 2.742 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -6.619 -5.750 4.701 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -7.698 -5.530 3.303 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -6.795 -7.051 3.499 1.00 1.00 H new ATOM 424 N ARG A 30 -3.294 -7.387 0.935 1.00 1.00 N ATOM 425 CA ARG A 30 -2.196 -8.152 1.498 1.00 1.00 C ATOM 426 C ARG A 30 -0.853 -7.598 1.018 1.00 1.00 C ATOM 427 O ARG A 30 0.055 -7.369 1.820 1.00 1.00 O ATOM 428 CB ARG A 30 -2.347 -9.612 1.095 1.00 1.00 C ATOM 429 CG ARG A 30 -3.463 -10.260 1.921 1.00 1.00 C ATOM 430 CD ARG A 30 -3.670 -11.690 1.454 1.00 1.00 C ATOM 431 NE ARG A 30 -4.660 -12.360 2.293 1.00 1.00 N ATOM 432 CZ ARG A 30 -5.962 -12.190 2.095 1.00 1.00 C ATOM 433 NH1 ARG A 30 -6.378 -11.400 1.138 1.00 1.00 N ATOM 434 NH2 ARG A 30 -6.825 -12.800 2.860 1.00 1.00 N ATOM 0 H ARG A 30 -3.972 -7.926 0.396 1.00 1.00 H new ATOM 0 HA ARG A 30 -2.221 -8.073 2.585 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -2.578 -9.684 0.032 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -1.408 -10.143 1.254 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -3.203 -10.245 2.979 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -4.387 -9.693 1.812 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -4.000 -11.696 0.415 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -2.725 -12.232 1.491 1.00 1.00 H new ATOM 0 HE ARG A 30 -4.345 -12.971 3.046 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -5.703 -10.916 0.546 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -7.378 -11.268 0.984 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -6.500 -13.408 3.611 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -7.825 -12.668 2.707 1.00 1.00 H new ATOM 448 N LEU A 31 -0.731 -7.365 -0.284 1.00 1.00 N ATOM 449 CA LEU A 31 0.484 -6.824 -0.844 1.00 1.00 C ATOM 450 C LEU A 31 0.775 -5.425 -0.304 1.00 1.00 C ATOM 451 O LEU A 31 1.927 -5.079 -0.050 1.00 1.00 O ATOM 452 CB LEU A 31 0.319 -6.767 -2.360 1.00 1.00 C ATOM 453 CG LEU A 31 0.640 -8.127 -3.007 1.00 1.00 C ATOM 454 CD1 LEU A 31 0.134 -9.312 -2.207 1.00 1.00 C ATOM 455 CD2 LEU A 31 0.013 -8.204 -4.389 1.00 1.00 C ATOM 0 H LEU A 31 -1.467 -7.546 -0.967 1.00 1.00 H new ATOM 0 HA LEU A 31 1.323 -7.462 -0.566 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -0.702 -6.476 -2.607 1.00 1.00 H new ATOM 0 HB3 LEU A 31 0.977 -6.001 -2.771 1.00 1.00 H new ATOM 0 HG LEU A 31 1.728 -8.185 -3.050 1.00 1.00 H new ATOM 0 HD11 LEU A 31 0.395 -10.237 -2.722 1.00 1.00 H new ATOM 0 HD12 LEU A 31 0.592 -9.305 -1.218 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -0.949 -9.247 -2.106 1.00 1.00 H new ATOM 0 HD21 LEU A 31 0.244 -9.169 -4.840 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -1.068 -8.093 -4.305 1.00 1.00 H new ATOM 0 HD23 LEU A 31 0.412 -7.406 -5.015 1.00 1.00 H new ATOM 467 N TYR A 32 -0.259 -4.611 -0.149 1.00 1.00 N ATOM 468 CA TYR A 32 -0.047 -3.259 0.341 1.00 1.00 C ATOM 469 C TYR A 32 0.587 -3.282 1.731 1.00 1.00 C ATOM 470 O TYR A 32 1.584 -2.601 1.983 1.00 1.00 O ATOM 471 CB TYR A 32 -1.387 -2.505 0.393 1.00 1.00 C ATOM 472 CG TYR A 32 -1.714 -1.913 -0.964 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.850 -0.972 -1.538 1.00 1.00 C ATOM 474 CD2 TYR A 32 -2.876 -2.302 -1.647 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.139 -0.423 -2.788 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.163 -1.751 -2.902 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.296 -0.813 -3.471 1.00 1.00 C ATOM 478 OH TYR A 32 -2.579 -0.279 -4.708 1.00 1.00 O ATOM 0 H TYR A 32 -1.229 -4.855 -0.350 1.00 1.00 H new ATOM 0 HA TYR A 32 0.631 -2.747 -0.342 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.182 -3.184 0.702 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.337 -1.713 1.140 1.00 1.00 H new ATOM 0 HD1 TYR A 32 0.043 -0.670 -1.011 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.547 -3.024 -1.206 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.470 0.302 -3.228 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.055 -2.051 -3.431 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.418 -0.658 -5.044 1.00 1.00 H new ATOM 488 N GLN A 33 0.001 -4.058 2.629 1.00 1.00 N ATOM 489 CA GLN A 33 0.513 -4.142 3.986 1.00 1.00 C ATOM 490 C GLN A 33 1.926 -4.716 3.991 1.00 1.00 C ATOM 491 O GLN A 33 2.809 -4.225 4.701 1.00 1.00 O ATOM 492 CB GLN A 33 -0.415 -5.027 4.824 1.00 1.00 C ATOM 493 CG GLN A 33 -1.788 -4.359 4.958 1.00 1.00 C ATOM 494 CD GLN A 33 -2.713 -5.229 5.805 1.00 1.00 C ATOM 495 OE1 GLN A 33 -2.293 -6.264 6.323 1.00 1.00 O ATOM 496 NE2 GLN A 33 -3.955 -4.866 5.981 1.00 1.00 N ATOM 0 H GLN A 33 -0.821 -4.633 2.445 1.00 1.00 H new ATOM 0 HA GLN A 33 0.548 -3.141 4.415 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -0.521 -6.005 4.355 1.00 1.00 H new ATOM 0 HB3 GLN A 33 0.018 -5.191 5.811 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -1.680 -3.376 5.416 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -2.224 -4.204 3.971 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.301 -4.008 5.551 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -4.579 -5.440 6.548 1.00 1.00 H new ATOM 505 N HIS A 34 2.135 -5.753 3.194 1.00 1.00 N ATOM 506 CA HIS A 34 3.445 -6.381 3.116 1.00 1.00 C ATOM 507 C HIS A 34 4.473 -5.391 2.568 1.00 1.00 C ATOM 508 O HIS A 34 5.534 -5.190 3.155 1.00 1.00 O ATOM 509 CB HIS A 34 3.359 -7.619 2.204 1.00 1.00 C ATOM 510 CG HIS A 34 2.968 -8.827 3.010 1.00 1.00 C ATOM 511 ND1 HIS A 34 1.812 -9.546 2.754 1.00 1.00 N ATOM 512 CD2 HIS A 34 3.568 -9.448 4.074 1.00 1.00 C ATOM 513 CE1 HIS A 34 1.753 -10.550 3.648 1.00 1.00 C ATOM 514 NE2 HIS A 34 2.801 -10.530 4.476 1.00 1.00 N ATOM 0 H HIS A 34 1.422 -6.174 2.598 1.00 1.00 H new ATOM 0 HA HIS A 34 3.761 -6.687 4.113 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.629 -7.448 1.413 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.320 -7.791 1.719 1.00 1.00 H new ATOM 0 HD1 HIS A 34 1.130 -9.350 2.021 1.00 1.00 H new ATOM 0 HD2 HIS A 34 4.498 -9.141 4.530 1.00 1.00 H new ATOM 0 HE1 HIS A 34 0.958 -11.280 3.691 1.00 1.00 H new ATOM 523 N ALA A 35 4.145 -4.767 1.446 1.00 1.00 N ATOM 524 CA ALA A 35 5.048 -3.804 0.832 1.00 1.00 C ATOM 525 C ALA A 35 5.504 -2.779 1.862 1.00 1.00 C ATOM 526 O ALA A 35 6.699 -2.517 2.002 1.00 1.00 O ATOM 527 CB ALA A 35 4.329 -3.074 -0.314 1.00 1.00 C ATOM 0 H ALA A 35 3.268 -4.908 0.945 1.00 1.00 H new ATOM 0 HA ALA A 35 5.915 -4.339 0.444 1.00 1.00 H new ATOM 0 HB1 ALA A 35 5.009 -2.354 -0.770 1.00 1.00 H new ATOM 0 HB2 ALA A 35 4.011 -3.798 -1.064 1.00 1.00 H new ATOM 0 HB3 ALA A 35 3.457 -2.551 0.078 1.00 1.00 H new ATOM 533 N VAL A 36 4.545 -2.203 2.576 1.00 1.00 N ATOM 534 CA VAL A 36 4.864 -1.195 3.577 1.00 1.00 C ATOM 535 C VAL A 36 5.831 -1.759 4.610 1.00 1.00 C ATOM 536 O VAL A 36 6.792 -1.097 4.998 1.00 1.00 O ATOM 537 CB VAL A 36 3.580 -0.694 4.268 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.969 0.136 5.506 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.743 0.168 3.279 1.00 1.00 C ATOM 0 H VAL A 36 3.551 -2.414 2.482 1.00 1.00 H new ATOM 0 HA VAL A 36 5.340 -0.352 3.076 1.00 1.00 H new ATOM 0 HB VAL A 36 2.973 -1.545 4.578 1.00 1.00 H new ATOM 0 HG11 VAL A 36 3.067 0.495 6.002 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.539 -0.486 6.196 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.576 0.987 5.197 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.838 0.517 3.777 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.333 1.025 2.955 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.471 -0.434 2.412 1.00 1.00 H new ATOM 549 N GLU A 37 5.569 -2.973 5.057 1.00 1.00 N ATOM 550 CA GLU A 37 6.428 -3.600 6.051 1.00 1.00 C ATOM 551 C GLU A 37 7.877 -3.617 5.577 1.00 1.00 C ATOM 552 O GLU A 37 8.787 -3.224 6.307 1.00 1.00 O ATOM 553 CB GLU A 37 5.970 -5.034 6.278 1.00 1.00 C ATOM 554 CG GLU A 37 6.615 -5.580 7.554 1.00 1.00 C ATOM 555 CD GLU A 37 6.085 -6.978 7.852 1.00 1.00 C ATOM 556 OE1 GLU A 37 5.087 -7.351 7.257 1.00 1.00 O ATOM 557 OE2 GLU A 37 6.683 -7.653 8.672 1.00 1.00 O ATOM 0 H GLU A 37 4.778 -3.541 4.754 1.00 1.00 H new ATOM 0 HA GLU A 37 6.363 -3.028 6.976 1.00 1.00 H new ATOM 0 HB2 GLU A 37 4.884 -5.071 6.362 1.00 1.00 H new ATOM 0 HB3 GLU A 37 6.245 -5.654 5.425 1.00 1.00 H new ATOM 0 HG2 GLU A 37 7.698 -5.610 7.439 1.00 1.00 H new ATOM 0 HG3 GLU A 37 6.402 -4.916 8.391 1.00 1.00 H new ATOM 564 N TYR A 38 8.081 -4.081 4.353 1.00 1.00 N ATOM 565 CA TYR A 38 9.432 -4.147 3.802 1.00 1.00 C ATOM 566 C TYR A 38 10.028 -2.747 3.655 1.00 1.00 C ATOM 567 O TYR A 38 11.217 -2.542 3.898 1.00 1.00 O ATOM 568 CB TYR A 38 9.438 -4.854 2.435 1.00 1.00 C ATOM 569 CG TYR A 38 9.450 -6.356 2.616 1.00 1.00 C ATOM 570 CD1 TYR A 38 8.309 -7.020 3.071 1.00 1.00 C ATOM 571 CD2 TYR A 38 10.613 -7.085 2.323 1.00 1.00 C ATOM 572 CE1 TYR A 38 8.327 -8.408 3.239 1.00 1.00 C ATOM 573 CE2 TYR A 38 10.630 -8.471 2.488 1.00 1.00 C ATOM 574 CZ TYR A 38 9.487 -9.133 2.948 1.00 1.00 C ATOM 575 OH TYR A 38 9.506 -10.500 3.122 1.00 1.00 O ATOM 0 H TYR A 38 7.345 -4.413 3.730 1.00 1.00 H new ATOM 0 HA TYR A 38 10.042 -4.723 4.499 1.00 1.00 H new ATOM 0 HB2 TYR A 38 8.559 -4.558 1.862 1.00 1.00 H new ATOM 0 HB3 TYR A 38 10.312 -4.544 1.862 1.00 1.00 H new ATOM 0 HD1 TYR A 38 7.412 -6.461 3.293 1.00 1.00 H new ATOM 0 HD2 TYR A 38 11.496 -6.573 1.969 1.00 1.00 H new ATOM 0 HE1 TYR A 38 7.445 -8.920 3.594 1.00 1.00 H new ATOM 0 HE2 TYR A 38 11.525 -9.032 2.261 1.00 1.00 H new ATOM 0 HH TYR A 38 10.387 -10.849 2.873 1.00 1.00 H new ATOM 585 N PHE A 39 9.201 -1.789 3.257 1.00 1.00 N ATOM 586 CA PHE A 39 9.676 -0.421 3.082 1.00 1.00 C ATOM 587 C PHE A 39 10.202 0.133 4.412 1.00 1.00 C ATOM 588 O PHE A 39 11.297 0.707 4.476 1.00 1.00 O ATOM 589 CB PHE A 39 8.521 0.465 2.565 1.00 1.00 C ATOM 590 CG PHE A 39 8.422 0.384 1.050 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.494 0.821 0.261 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.268 -0.128 0.437 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.416 0.737 -1.134 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.190 -0.206 -0.959 1.00 1.00 C ATOM 595 CZ PHE A 39 8.263 0.223 -1.744 1.00 1.00 C ATOM 0 H PHE A 39 8.212 -1.929 3.052 1.00 1.00 H new ATOM 0 HA PHE A 39 10.489 -0.418 2.356 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.581 0.145 3.014 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.684 1.499 2.870 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.381 1.223 0.729 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.439 -0.462 1.043 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.245 1.069 -1.741 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.300 -0.598 -1.429 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.204 0.159 -2.820 1.00 1.00 H new ATOM 605 N LEU A 40 9.420 -0.050 5.467 1.00 1.00 N ATOM 606 CA LEU A 40 9.799 0.426 6.786 1.00 1.00 C ATOM 607 C LEU A 40 11.057 -0.299 7.251 1.00 1.00 C ATOM 608 O LEU A 40 11.965 0.298 7.832 1.00 1.00 O ATOM 609 CB LEU A 40 8.654 0.173 7.772 1.00 1.00 C ATOM 610 CG LEU A 40 7.426 1.004 7.366 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.217 0.530 8.174 1.00 1.00 C ATOM 612 CD2 LEU A 40 7.661 2.503 7.632 1.00 1.00 C ATOM 0 H LEU A 40 8.518 -0.526 5.433 1.00 1.00 H new ATOM 0 HA LEU A 40 10.001 1.496 6.741 1.00 1.00 H new ATOM 0 HB2 LEU A 40 8.400 -0.887 7.784 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.966 0.438 8.782 1.00 1.00 H new ATOM 0 HG LEU A 40 7.248 0.868 6.299 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.340 1.114 7.893 1.00 1.00 H new ATOM 0 HD12 LEU A 40 6.032 -0.524 7.968 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.416 0.662 9.238 1.00 1.00 H new ATOM 0 HD21 LEU A 40 6.777 3.068 7.336 1.00 1.00 H new ATOM 0 HD22 LEU A 40 7.852 2.659 8.694 1.00 1.00 H new ATOM 0 HD23 LEU A 40 8.520 2.845 7.055 1.00 1.00 H new ATOM 624 N HIS A 41 11.121 -1.586 6.958 1.00 1.00 N ATOM 625 CA HIS A 41 12.281 -2.373 7.336 1.00 1.00 C ATOM 626 C HIS A 41 13.492 -1.953 6.508 1.00 1.00 C ATOM 627 O HIS A 41 14.630 -2.162 6.900 1.00 1.00 O ATOM 628 CB HIS A 41 11.992 -3.865 7.127 1.00 1.00 C ATOM 629 CG HIS A 41 12.955 -4.691 7.943 1.00 1.00 C ATOM 630 ND1 HIS A 41 14.203 -5.059 7.465 1.00 1.00 N ATOM 631 CD2 HIS A 41 12.872 -5.218 9.212 1.00 1.00 C ATOM 632 CE1 HIS A 41 14.814 -5.773 8.427 1.00 1.00 C ATOM 633 NE2 HIS A 41 14.047 -5.900 9.513 1.00 1.00 N ATOM 0 H HIS A 41 10.393 -2.103 6.465 1.00 1.00 H new ATOM 0 HA HIS A 41 12.498 -2.199 8.390 1.00 1.00 H new ATOM 0 HB2 HIS A 41 10.967 -4.091 7.420 1.00 1.00 H new ATOM 0 HB3 HIS A 41 12.085 -4.119 6.071 1.00 1.00 H new ATOM 0 HD2 HIS A 41 12.024 -5.117 9.873 1.00 1.00 H new ATOM 0 HE1 HIS A 41 15.805 -6.193 8.333 1.00 1.00 H new ATOM 0 HE2 HIS A 41 14.274 -6.391 10.378 1.00 1.00 H new ATOM 642 N ALA A 42 13.256 -1.365 5.354 1.00 1.00 N ATOM 643 CA ALA A 42 14.363 -0.939 4.518 1.00 1.00 C ATOM 644 C ALA A 42 15.026 0.318 5.073 1.00 1.00 C ATOM 645 O ALA A 42 16.237 0.385 5.228 1.00 1.00 O ATOM 646 CB ALA A 42 13.875 -0.661 3.107 1.00 1.00 C ATOM 0 H ALA A 42 12.328 -1.173 4.977 1.00 1.00 H new ATOM 0 HA ALA A 42 15.097 -1.745 4.506 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.714 -0.342 2.488 1.00 1.00 H new ATOM 0 HB2 ALA A 42 13.439 -1.568 2.688 1.00 1.00 H new ATOM 0 HB3 ALA A 42 13.122 0.126 3.131 1.00 1.00 H new ATOM 652 N ILE A 43 14.222 1.300 5.426 1.00 1.00 N ATOM 653 CA ILE A 43 14.767 2.522 5.984 1.00 1.00 C ATOM 654 C ILE A 43 15.420 2.280 7.346 1.00 1.00 C ATOM 655 O ILE A 43 16.392 2.952 7.696 1.00 1.00 O ATOM 656 CB ILE A 43 13.662 3.562 6.108 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.442 2.926 6.755 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.280 4.071 4.720 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.363 3.983 6.991 1.00 1.00 C ATOM 0 H ILE A 43 13.206 1.279 5.339 1.00 1.00 H new ATOM 0 HA ILE A 43 15.542 2.887 5.310 1.00 1.00 H new ATOM 0 HB ILE A 43 14.015 4.393 6.719 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.053 2.134 6.115 1.00 1.00 H new ATOM 0 HG13 ILE A 43 12.722 2.463 7.701 1.00 1.00 H new ATOM 0 HG21 ILE A 43 12.489 4.815 4.810 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.151 4.523 4.246 1.00 1.00 H new ATOM 0 HG23 ILE A 43 12.927 3.238 4.112 1.00 1.00 H new ATOM 0 HD11 ILE A 43 10.493 3.518 7.455 1.00 1.00 H new ATOM 0 HD12 ILE A 43 11.753 4.760 7.649 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.073 4.426 6.038 1.00 1.00 H new ATOM 671 N LYS A 44 14.896 1.320 8.110 1.00 1.00 N ATOM 672 CA LYS A 44 15.463 1.013 9.430 1.00 1.00 C ATOM 673 C LYS A 44 16.686 0.138 9.350 1.00 1.00 C ATOM 674 O LYS A 44 17.689 0.386 10.020 1.00 1.00 O ATOM 675 CB LYS A 44 14.458 0.270 10.289 1.00 1.00 C ATOM 676 CG LYS A 44 13.299 1.167 10.547 1.00 1.00 C ATOM 677 CD LYS A 44 12.263 0.442 11.391 1.00 1.00 C ATOM 678 CE LYS A 44 11.040 1.334 11.555 1.00 1.00 C ATOM 679 NZ LYS A 44 9.993 0.621 12.344 1.00 1.00 N ATOM 0 H LYS A 44 14.093 0.749 7.846 1.00 1.00 H new ATOM 0 HA LYS A 44 15.728 1.978 9.861 1.00 1.00 H new ATOM 0 HB2 LYS A 44 14.128 -0.639 9.785 1.00 1.00 H new ATOM 0 HB3 LYS A 44 14.917 -0.035 11.229 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.633 2.069 11.060 1.00 1.00 H new ATOM 0 HG3 LYS A 44 12.855 1.483 9.603 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.982 -0.498 10.916 1.00 1.00 H new ATOM 0 HD3 LYS A 44 12.680 0.193 12.367 1.00 1.00 H new ATOM 0 HE2 LYS A 44 11.319 2.260 12.058 1.00 1.00 H new ATOM 0 HE3 LYS A 44 10.646 1.609 10.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 9.161 1.236 12.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 9.718 -0.250 11.848 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 10.370 0.380 13.283 1.00 1.00 H new ATOM 693 N TYR A 45 16.583 -0.924 8.562 1.00 1.00 N ATOM 694 CA TYR A 45 17.689 -1.870 8.448 1.00 1.00 C ATOM 695 C TYR A 45 18.582 -1.560 7.251 1.00 1.00 C ATOM 696 O TYR A 45 19.702 -2.063 7.167 1.00 1.00 O ATOM 697 CB TYR A 45 17.172 -3.310 8.329 1.00 1.00 C ATOM 698 CG TYR A 45 16.422 -3.675 9.585 1.00 1.00 C ATOM 699 CD1 TYR A 45 15.144 -3.167 9.785 1.00 1.00 C ATOM 700 CD2 TYR A 45 17.006 -4.504 10.550 1.00 1.00 C ATOM 701 CE1 TYR A 45 14.432 -3.472 10.942 1.00 1.00 C ATOM 702 CE2 TYR A 45 16.294 -4.821 11.716 1.00 1.00 C ATOM 703 CZ TYR A 45 15.005 -4.304 11.911 1.00 1.00 C ATOM 704 OH TYR A 45 14.305 -4.614 13.057 1.00 1.00 O ATOM 0 H TYR A 45 15.762 -1.151 8.001 1.00 1.00 H new ATOM 0 HA TYR A 45 18.280 -1.769 9.358 1.00 1.00 H new ATOM 0 HB2 TYR A 45 16.519 -3.404 7.461 1.00 1.00 H new ATOM 0 HB3 TYR A 45 18.005 -3.996 8.177 1.00 1.00 H new ATOM 0 HD1 TYR A 45 14.699 -2.529 9.036 1.00 1.00 H new ATOM 0 HD2 TYR A 45 18.000 -4.898 10.397 1.00 1.00 H new ATOM 0 HE1 TYR A 45 13.441 -3.068 11.091 1.00 1.00 H new ATOM 0 HE2 TYR A 45 16.738 -5.463 12.463 1.00 1.00 H new ATOM 0 HH TYR A 45 14.847 -5.203 13.622 1.00 1.00 H new ATOM 714 N GLU A 46 18.084 -0.737 6.318 1.00 1.00 N ATOM 715 CA GLU A 46 18.866 -0.373 5.124 1.00 1.00 C ATOM 716 C GLU A 46 18.991 1.136 5.006 1.00 1.00 C ATOM 717 O GLU A 46 18.986 1.672 3.901 1.00 1.00 O ATOM 718 CB GLU A 46 18.223 -0.930 3.843 1.00 1.00 C ATOM 719 CG GLU A 46 17.809 -2.381 4.064 1.00 1.00 C ATOM 720 CD GLU A 46 19.054 -3.242 4.213 1.00 1.00 C ATOM 721 OE1 GLU A 46 20.109 -2.789 3.803 1.00 1.00 O ATOM 722 OE2 GLU A 46 18.937 -4.334 4.740 1.00 1.00 O ATOM 0 H GLU A 46 17.157 -0.315 6.363 1.00 1.00 H new ATOM 0 HA GLU A 46 19.857 -0.812 5.238 1.00 1.00 H new ATOM 0 HB2 GLU A 46 17.354 -0.331 3.571 1.00 1.00 H new ATOM 0 HB3 GLU A 46 18.927 -0.865 3.013 1.00 1.00 H new ATOM 0 HG2 GLU A 46 17.188 -2.462 4.956 1.00 1.00 H new ATOM 0 HG3 GLU A 46 17.209 -2.732 3.225 1.00 1.00 H new ATOM 729 N ALA A 47 19.116 1.803 6.161 1.00 1.00 N ATOM 730 CA ALA A 47 19.263 3.267 6.231 1.00 1.00 C ATOM 731 C ALA A 47 19.749 3.822 4.902 1.00 1.00 C ATOM 732 O ALA A 47 20.705 3.311 4.320 1.00 1.00 O ATOM 733 CB ALA A 47 20.258 3.644 7.333 1.00 1.00 C ATOM 0 H ALA A 47 19.118 1.346 7.073 1.00 1.00 H new ATOM 0 HA ALA A 47 18.287 3.696 6.458 1.00 1.00 H new ATOM 0 HB1 ALA A 47 20.359 4.728 7.376 1.00 1.00 H new ATOM 0 HB2 ALA A 47 19.895 3.275 8.292 1.00 1.00 H new ATOM 0 HB3 ALA A 47 21.228 3.197 7.116 1.00 1.00 H new ATOM 739 N HIS A 48 19.060 4.835 4.404 1.00 1.00 N ATOM 740 CA HIS A 48 19.390 5.430 3.112 1.00 1.00 C ATOM 741 C HIS A 48 19.677 6.934 3.280 1.00 1.00 C ATOM 742 O HIS A 48 20.231 7.354 4.296 1.00 1.00 O ATOM 743 CB HIS A 48 18.193 5.170 2.155 1.00 1.00 C ATOM 744 CG HIS A 48 18.346 3.835 1.481 1.00 1.00 C ATOM 745 ND1 HIS A 48 19.121 3.660 0.347 1.00 1.00 N ATOM 746 CD2 HIS A 48 17.823 2.600 1.774 1.00 1.00 C ATOM 747 CE1 HIS A 48 19.046 2.362 0.003 1.00 1.00 C ATOM 748 NE2 HIS A 48 18.268 1.671 0.841 1.00 1.00 N ATOM 0 H HIS A 48 18.265 5.267 4.874 1.00 1.00 H new ATOM 0 HA HIS A 48 20.291 4.983 2.691 1.00 1.00 H new ATOM 0 HB2 HIS A 48 17.258 5.198 2.715 1.00 1.00 H new ATOM 0 HB3 HIS A 48 18.139 5.960 1.406 1.00 1.00 H new ATOM 0 HD2 HIS A 48 17.166 2.383 2.603 1.00 1.00 H new ATOM 0 HE1 HIS A 48 19.553 1.931 -0.847 1.00 1.00 H new ATOM 0 HE2 HIS A 48 18.048 0.676 0.804 1.00 1.00 H new ATOM 757 N SER A 49 19.277 7.739 2.302 1.00 1.00 N ATOM 758 CA SER A 49 19.465 9.179 2.361 1.00 1.00 C ATOM 759 C SER A 49 18.202 9.840 2.909 1.00 1.00 C ATOM 760 O SER A 49 17.100 9.324 2.736 1.00 1.00 O ATOM 761 CB SER A 49 19.757 9.700 0.958 1.00 1.00 C ATOM 762 OG SER A 49 20.698 8.837 0.333 1.00 1.00 O ATOM 0 H SER A 49 18.817 7.412 1.453 1.00 1.00 H new ATOM 0 HA SER A 49 20.301 9.415 3.019 1.00 1.00 H new ATOM 0 HB2 SER A 49 18.838 9.743 0.373 1.00 1.00 H new ATOM 0 HB3 SER A 49 20.151 10.715 1.007 1.00 1.00 H new ATOM 0 HG SER A 49 20.891 9.163 -0.571 1.00 1.00 H new ATOM 768 N ASP A 50 18.366 10.972 3.572 1.00 1.00 N ATOM 769 CA ASP A 50 17.228 11.681 4.146 1.00 1.00 C ATOM 770 C ASP A 50 16.113 11.830 3.113 1.00 1.00 C ATOM 771 O ASP A 50 14.930 11.668 3.424 1.00 1.00 O ATOM 772 CB ASP A 50 17.687 13.073 4.610 1.00 1.00 C ATOM 773 CG ASP A 50 16.894 13.540 5.828 1.00 1.00 C ATOM 774 OD1 ASP A 50 15.791 14.023 5.641 1.00 1.00 O ATOM 775 OD2 ASP A 50 17.407 13.413 6.927 1.00 1.00 O ATOM 0 H ASP A 50 19.269 11.420 3.727 1.00 1.00 H new ATOM 0 HA ASP A 50 16.844 11.112 4.992 1.00 1.00 H new ATOM 0 HB2 ASP A 50 18.749 13.046 4.853 1.00 1.00 H new ATOM 0 HB3 ASP A 50 17.564 13.789 3.797 1.00 1.00 H new ATOM 780 N LYS A 51 16.507 12.119 1.881 1.00 1.00 N ATOM 781 CA LYS A 51 15.544 12.274 0.804 1.00 1.00 C ATOM 782 C LYS A 51 14.827 10.956 0.556 1.00 1.00 C ATOM 783 O LYS A 51 13.608 10.920 0.361 1.00 1.00 O ATOM 784 CB LYS A 51 16.257 12.728 -0.470 1.00 1.00 C ATOM 785 CG LYS A 51 16.725 14.177 -0.303 1.00 1.00 C ATOM 786 CD LYS A 51 17.613 14.582 -1.487 1.00 1.00 C ATOM 787 CE LYS A 51 16.788 14.633 -2.776 1.00 1.00 C ATOM 788 NZ LYS A 51 17.536 15.407 -3.809 1.00 1.00 N ATOM 0 H LYS A 51 17.480 12.250 1.605 1.00 1.00 H new ATOM 0 HA LYS A 51 14.811 13.028 1.089 1.00 1.00 H new ATOM 0 HB2 LYS A 51 17.110 12.080 -0.673 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.585 12.648 -1.324 1.00 1.00 H new ATOM 0 HG2 LYS A 51 15.863 14.841 -0.241 1.00 1.00 H new ATOM 0 HG3 LYS A 51 17.278 14.284 0.630 1.00 1.00 H new ATOM 0 HD2 LYS A 51 18.063 15.556 -1.296 1.00 1.00 H new ATOM 0 HD3 LYS A 51 18.430 13.869 -1.598 1.00 1.00 H new ATOM 0 HE2 LYS A 51 16.589 13.623 -3.135 1.00 1.00 H new ATOM 0 HE3 LYS A 51 15.821 15.099 -2.585 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 16.979 15.444 -4.686 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 17.704 16.374 -3.464 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 18.448 14.944 -3.997 1.00 1.00 H new ATOM 802 N ALA A 52 15.584 9.870 0.586 1.00 1.00 N ATOM 803 CA ALA A 52 15.003 8.559 0.378 1.00 1.00 C ATOM 804 C ALA A 52 13.992 8.250 1.473 1.00 1.00 C ATOM 805 O ALA A 52 12.840 7.962 1.190 1.00 1.00 O ATOM 806 CB ALA A 52 16.107 7.516 0.424 1.00 1.00 C ATOM 0 H ALA A 52 16.591 9.872 0.751 1.00 1.00 H new ATOM 0 HA ALA A 52 14.501 8.542 -0.589 1.00 1.00 H new ATOM 0 HB1 ALA A 52 15.679 6.526 0.268 1.00 1.00 H new ATOM 0 HB2 ALA A 52 16.836 7.723 -0.359 1.00 1.00 H new ATOM 0 HB3 ALA A 52 16.599 7.550 1.396 1.00 1.00 H new ATOM 812 N LYS A 53 14.426 8.339 2.727 1.00 1.00 N ATOM 813 CA LYS A 53 13.524 8.055 3.835 1.00 1.00 C ATOM 814 C LYS A 53 12.216 8.812 3.657 1.00 1.00 C ATOM 815 O LYS A 53 11.138 8.222 3.707 1.00 1.00 O ATOM 816 CB LYS A 53 14.190 8.448 5.182 1.00 1.00 C ATOM 817 CG LYS A 53 14.661 7.197 5.981 1.00 1.00 C ATOM 818 CD LYS A 53 16.171 7.027 5.922 1.00 1.00 C ATOM 819 CE LYS A 53 16.539 6.406 4.614 1.00 1.00 C ATOM 820 NZ LYS A 53 16.447 4.933 4.783 1.00 1.00 N ATOM 0 H LYS A 53 15.375 8.599 2.997 1.00 1.00 H new ATOM 0 HA LYS A 53 13.311 6.986 3.847 1.00 1.00 H new ATOM 0 HB2 LYS A 53 15.043 9.099 4.989 1.00 1.00 H new ATOM 0 HB3 LYS A 53 13.483 9.019 5.784 1.00 1.00 H new ATOM 0 HG2 LYS A 53 14.346 7.289 7.020 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.179 6.306 5.579 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.663 7.993 6.032 1.00 1.00 H new ATOM 0 HD3 LYS A 53 16.512 6.400 6.746 1.00 1.00 H new ATOM 0 HE2 LYS A 53 15.867 6.745 3.825 1.00 1.00 H new ATOM 0 HE3 LYS A 53 17.548 6.697 4.321 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 15.968 4.518 3.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 17.403 4.533 4.866 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 15.905 4.715 5.644 1.00 1.00 H new ATOM 834 N GLU A 54 12.306 10.109 3.445 1.00 1.00 N ATOM 835 CA GLU A 54 11.105 10.893 3.270 1.00 1.00 C ATOM 836 C GLU A 54 10.238 10.270 2.188 1.00 1.00 C ATOM 837 O GLU A 54 9.019 10.181 2.335 1.00 1.00 O ATOM 838 CB GLU A 54 11.493 12.328 2.897 1.00 1.00 C ATOM 839 CG GLU A 54 11.781 13.128 4.164 1.00 1.00 C ATOM 840 CD GLU A 54 12.270 14.521 3.790 1.00 1.00 C ATOM 841 OE1 GLU A 54 12.251 14.833 2.610 1.00 1.00 O ATOM 842 OE2 GLU A 54 12.660 15.252 4.683 1.00 1.00 O ATOM 0 H GLU A 54 13.180 10.632 3.391 1.00 1.00 H new ATOM 0 HA GLU A 54 10.533 10.911 4.198 1.00 1.00 H new ATOM 0 HB2 GLU A 54 12.371 12.322 2.252 1.00 1.00 H new ATOM 0 HB3 GLU A 54 10.687 12.798 2.334 1.00 1.00 H new ATOM 0 HG2 GLU A 54 10.880 13.200 4.773 1.00 1.00 H new ATOM 0 HG3 GLU A 54 12.533 12.617 4.765 1.00 1.00 H new ATOM 849 N SER A 55 10.863 9.833 1.111 1.00 1.00 N ATOM 850 CA SER A 55 10.108 9.219 0.036 1.00 1.00 C ATOM 851 C SER A 55 9.405 7.950 0.519 1.00 1.00 C ATOM 852 O SER A 55 8.240 7.714 0.200 1.00 1.00 O ATOM 853 CB SER A 55 11.033 8.870 -1.131 1.00 1.00 C ATOM 854 OG SER A 55 10.260 8.340 -2.198 1.00 1.00 O ATOM 0 H SER A 55 11.870 9.889 0.958 1.00 1.00 H new ATOM 0 HA SER A 55 9.357 9.935 -0.296 1.00 1.00 H new ATOM 0 HB2 SER A 55 11.571 9.758 -1.462 1.00 1.00 H new ATOM 0 HB3 SER A 55 11.781 8.144 -0.813 1.00 1.00 H new ATOM 0 HG SER A 55 10.849 8.116 -2.949 1.00 1.00 H new ATOM 860 N ILE A 56 10.127 7.120 1.268 1.00 1.00 N ATOM 861 CA ILE A 56 9.561 5.871 1.749 1.00 1.00 C ATOM 862 C ILE A 56 8.438 6.138 2.745 1.00 1.00 C ATOM 863 O ILE A 56 7.389 5.514 2.689 1.00 1.00 O ATOM 864 CB ILE A 56 10.644 5.028 2.440 1.00 1.00 C ATOM 865 CG1 ILE A 56 11.919 4.951 1.588 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.122 3.607 2.653 1.00 1.00 C ATOM 867 CD1 ILE A 56 11.575 4.659 0.135 1.00 1.00 C ATOM 0 H ILE A 56 11.092 7.290 1.550 1.00 1.00 H new ATOM 0 HA ILE A 56 9.163 5.330 0.890 1.00 1.00 H new ATOM 0 HB ILE A 56 10.882 5.502 3.392 1.00 1.00 H new ATOM 0 HG12 ILE A 56 12.466 5.892 1.656 1.00 1.00 H new ATOM 0 HG13 ILE A 56 12.575 4.172 1.976 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.889 3.007 3.143 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.230 3.637 3.279 1.00 1.00 H new ATOM 0 HG23 ILE A 56 9.874 3.162 1.689 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.492 4.608 -0.453 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.049 3.707 0.070 1.00 1.00 H new ATOM 0 HD13 ILE A 56 10.938 5.453 -0.255 1.00 1.00 H new ATOM 879 N ARG A 57 8.686 7.056 3.667 1.00 1.00 N ATOM 880 CA ARG A 57 7.687 7.376 4.678 1.00 1.00 C ATOM 881 C ARG A 57 6.410 7.879 4.011 1.00 1.00 C ATOM 882 O ARG A 57 5.333 7.320 4.205 1.00 1.00 O ATOM 883 CB ARG A 57 8.223 8.445 5.627 1.00 1.00 C ATOM 884 CG ARG A 57 9.376 7.863 6.443 1.00 1.00 C ATOM 885 CD ARG A 57 9.780 8.858 7.532 1.00 1.00 C ATOM 886 NE ARG A 57 10.881 8.327 8.327 1.00 1.00 N ATOM 887 CZ ARG A 57 11.204 8.863 9.499 1.00 1.00 C ATOM 888 NH1 ARG A 57 10.533 9.886 9.957 1.00 1.00 N ATOM 889 NH2 ARG A 57 12.192 8.368 10.193 1.00 1.00 N ATOM 0 H ARG A 57 9.555 7.585 3.737 1.00 1.00 H new ATOM 0 HA ARG A 57 7.464 6.473 5.246 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.564 9.312 5.061 1.00 1.00 H new ATOM 0 HB3 ARG A 57 7.430 8.789 6.291 1.00 1.00 H new ATOM 0 HG2 ARG A 57 9.076 6.916 6.893 1.00 1.00 H new ATOM 0 HG3 ARG A 57 10.226 7.653 5.794 1.00 1.00 H new ATOM 0 HD2 ARG A 57 10.075 9.804 7.077 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.926 9.067 8.177 1.00 1.00 H new ATOM 0 HE ARG A 57 11.413 7.530 7.977 1.00 1.00 H new ATOM 0 HH11 ARG A 57 9.761 10.274 9.415 1.00 1.00 H new ATOM 0 HH12 ARG A 57 10.781 10.297 10.857 1.00 1.00 H new ATOM 0 HH21 ARG A 57 12.716 7.569 9.836 1.00 1.00 H new ATOM 0 HH22 ARG A 57 12.440 8.780 11.093 1.00 1.00 H new ATOM 903 N ALA A 58 6.526 8.947 3.238 1.00 1.00 N ATOM 904 CA ALA A 58 5.359 9.510 2.578 1.00 1.00 C ATOM 905 C ALA A 58 4.586 8.422 1.832 1.00 1.00 C ATOM 906 O ALA A 58 3.376 8.248 2.030 1.00 1.00 O ATOM 907 CB ALA A 58 5.810 10.591 1.591 1.00 1.00 C ATOM 0 H ALA A 58 7.402 9.435 3.054 1.00 1.00 H new ATOM 0 HA ALA A 58 4.703 9.946 3.331 1.00 1.00 H new ATOM 0 HB1 ALA A 58 4.938 11.016 1.094 1.00 1.00 H new ATOM 0 HB2 ALA A 58 6.340 11.377 2.129 1.00 1.00 H new ATOM 0 HB3 ALA A 58 6.473 10.150 0.847 1.00 1.00 H new ATOM 913 N LYS A 59 5.292 7.684 0.987 1.00 1.00 N ATOM 914 CA LYS A 59 4.667 6.619 0.219 1.00 1.00 C ATOM 915 C LYS A 59 4.107 5.540 1.137 1.00 1.00 C ATOM 916 O LYS A 59 3.021 5.009 0.900 1.00 1.00 O ATOM 917 CB LYS A 59 5.688 6.038 -0.759 1.00 1.00 C ATOM 918 CG LYS A 59 6.089 7.092 -1.818 1.00 1.00 C ATOM 919 CD LYS A 59 4.891 7.574 -2.660 1.00 1.00 C ATOM 920 CE LYS A 59 4.082 6.384 -3.175 1.00 1.00 C ATOM 921 NZ LYS A 59 3.248 6.824 -4.329 1.00 1.00 N ATOM 0 H LYS A 59 6.291 7.802 0.817 1.00 1.00 H new ATOM 0 HA LYS A 59 3.829 7.028 -0.345 1.00 1.00 H new ATOM 0 HB2 LYS A 59 6.573 5.706 -0.215 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.269 5.161 -1.252 1.00 1.00 H new ATOM 0 HG2 LYS A 59 6.545 7.947 -1.319 1.00 1.00 H new ATOM 0 HG3 LYS A 59 6.845 6.668 -2.479 1.00 1.00 H new ATOM 0 HD2 LYS A 59 4.253 8.221 -2.058 1.00 1.00 H new ATOM 0 HD3 LYS A 59 5.247 8.170 -3.501 1.00 1.00 H new ATOM 0 HE2 LYS A 59 4.750 5.579 -3.480 1.00 1.00 H new ATOM 0 HE3 LYS A 59 3.448 5.989 -2.382 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 3.121 6.030 -4.988 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 2.319 7.140 -3.985 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 3.721 7.609 -4.820 1.00 1.00 H new ATOM 935 N CYS A 60 4.846 5.209 2.179 1.00 1.00 N ATOM 936 CA CYS A 60 4.400 4.191 3.107 1.00 1.00 C ATOM 937 C CYS A 60 2.995 4.528 3.591 1.00 1.00 C ATOM 938 O CYS A 60 2.144 3.648 3.713 1.00 1.00 O ATOM 939 CB CYS A 60 5.367 4.104 4.288 1.00 1.00 C ATOM 940 SG CYS A 60 6.790 3.095 3.815 1.00 1.00 S ATOM 0 H CYS A 60 5.750 5.627 2.402 1.00 1.00 H new ATOM 0 HA CYS A 60 4.379 3.223 2.606 1.00 1.00 H new ATOM 0 HB2 CYS A 60 5.694 5.102 4.580 1.00 1.00 H new ATOM 0 HB3 CYS A 60 4.867 3.667 5.152 1.00 1.00 H new ATOM 0 HG CYS A 60 7.497 3.730 2.928 1.00 1.00 H new ATOM 946 N VAL A 61 2.752 5.809 3.851 1.00 1.00 N ATOM 947 CA VAL A 61 1.430 6.232 4.299 1.00 1.00 C ATOM 948 C VAL A 61 0.403 6.013 3.195 1.00 1.00 C ATOM 949 O VAL A 61 -0.673 5.471 3.437 1.00 1.00 O ATOM 950 CB VAL A 61 1.451 7.710 4.678 1.00 1.00 C ATOM 951 CG1 VAL A 61 0.059 8.142 5.141 1.00 1.00 C ATOM 952 CG2 VAL A 61 2.454 7.928 5.804 1.00 1.00 C ATOM 0 H VAL A 61 3.438 6.559 3.762 1.00 1.00 H new ATOM 0 HA VAL A 61 1.156 5.637 5.170 1.00 1.00 H new ATOM 0 HB VAL A 61 1.741 8.303 3.811 1.00 1.00 H new ATOM 0 HG11 VAL A 61 0.077 9.198 5.411 1.00 1.00 H new ATOM 0 HG12 VAL A 61 -0.657 7.986 4.335 1.00 1.00 H new ATOM 0 HG13 VAL A 61 -0.236 7.551 6.008 1.00 1.00 H new ATOM 0 HG21 VAL A 61 2.471 8.983 6.077 1.00 1.00 H new ATOM 0 HG22 VAL A 61 2.163 7.334 6.670 1.00 1.00 H new ATOM 0 HG23 VAL A 61 3.446 7.623 5.471 1.00 1.00 H new ATOM 962 N GLN A 62 0.732 6.461 1.986 1.00 1.00 N ATOM 963 CA GLN A 62 -0.196 6.323 0.863 1.00 1.00 C ATOM 964 C GLN A 62 -0.628 4.868 0.708 1.00 1.00 C ATOM 965 O GLN A 62 -1.820 4.571 0.562 1.00 1.00 O ATOM 966 CB GLN A 62 0.482 6.787 -0.426 1.00 1.00 C ATOM 967 CG GLN A 62 0.939 8.234 -0.257 1.00 1.00 C ATOM 968 CD GLN A 62 1.690 8.701 -1.495 1.00 1.00 C ATOM 969 OE1 GLN A 62 1.569 8.102 -2.565 1.00 1.00 O ATOM 970 NE2 GLN A 62 2.491 9.725 -1.401 1.00 1.00 N ATOM 0 H GLN A 62 1.617 6.915 1.759 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.075 6.938 1.059 1.00 1.00 H new ATOM 0 HB2 GLN A 62 1.335 6.147 -0.654 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -0.210 6.707 -1.265 1.00 1.00 H new ATOM 0 HG2 GLN A 62 0.076 8.877 -0.083 1.00 1.00 H new ATOM 0 HG3 GLN A 62 1.581 8.319 0.620 1.00 1.00 H new ATOM 0 HE21 GLN A 62 2.587 10.217 -0.513 1.00 1.00 H new ATOM 0 HE22 GLN A 62 3.021 10.034 -2.216 1.00 1.00 H new ATOM 979 N TYR A 63 0.343 3.963 0.756 1.00 1.00 N ATOM 980 CA TYR A 63 0.041 2.545 0.628 1.00 1.00 C ATOM 981 C TYR A 63 -0.835 2.082 1.780 1.00 1.00 C ATOM 982 O TYR A 63 -1.845 1.410 1.569 1.00 1.00 O ATOM 983 CB TYR A 63 1.341 1.722 0.597 1.00 1.00 C ATOM 984 CG TYR A 63 2.201 2.111 -0.599 1.00 1.00 C ATOM 985 CD1 TYR A 63 1.643 2.235 -1.882 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.565 2.359 -0.416 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.445 2.610 -2.966 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.364 2.736 -1.499 1.00 1.00 C ATOM 989 CZ TYR A 63 3.804 2.865 -2.774 1.00 1.00 C ATOM 990 OH TYR A 63 4.595 3.239 -3.841 1.00 1.00 O ATOM 0 H TYR A 63 1.331 4.182 0.881 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.498 2.392 -0.307 1.00 1.00 H new ATOM 0 HB2 TYR A 63 1.900 1.882 1.519 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.103 0.659 0.549 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.591 2.040 -2.033 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.003 2.259 0.566 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.012 2.702 -3.951 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.416 2.928 -1.351 1.00 1.00 H new ATOM 0 HH TYR A 63 4.074 3.797 -4.455 1.00 1.00 H new ATOM 1000 N LEU A 64 -0.447 2.431 2.996 1.00 1.00 N ATOM 1001 CA LEU A 64 -1.234 2.015 4.144 1.00 1.00 C ATOM 1002 C LEU A 64 -2.644 2.568 4.045 1.00 1.00 C ATOM 1003 O LEU A 64 -3.608 1.832 4.223 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.567 2.489 5.441 1.00 1.00 C ATOM 1005 CG LEU A 64 0.355 1.400 6.001 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.265 2.023 7.062 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.474 0.246 6.618 1.00 1.00 C ATOM 0 H LEU A 64 0.382 2.984 3.210 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.288 0.926 4.155 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.006 3.397 5.251 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -1.330 2.742 6.178 1.00 1.00 H new ATOM 0 HG LEU A 64 0.958 0.986 5.193 1.00 1.00 H new ATOM 0 HD11 LEU A 64 1.926 1.258 7.469 1.00 1.00 H new ATOM 0 HD12 LEU A 64 1.861 2.815 6.610 1.00 1.00 H new ATOM 0 HD13 LEU A 64 0.656 2.440 7.864 1.00 1.00 H new ATOM 0 HD21 LEU A 64 0.199 -0.517 7.010 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -1.092 0.634 7.427 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.113 -0.193 5.852 1.00 1.00 H new ATOM 1019 N ASP A 65 -2.781 3.859 3.778 1.00 1.00 N ATOM 1020 CA ASP A 65 -4.096 4.455 3.690 1.00 1.00 C ATOM 1021 C ASP A 65 -4.975 3.646 2.762 1.00 1.00 C ATOM 1022 O ASP A 65 -6.131 3.354 3.079 1.00 1.00 O ATOM 1023 CB ASP A 65 -3.947 5.879 3.157 1.00 1.00 C ATOM 1024 CG ASP A 65 -5.307 6.553 3.038 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -6.301 5.882 3.249 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -5.331 7.734 2.733 1.00 1.00 O ATOM 0 H ASP A 65 -2.005 4.503 3.621 1.00 1.00 H new ATOM 0 HA ASP A 65 -4.561 4.471 4.676 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -3.306 6.457 3.823 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -3.459 5.859 2.183 1.00 1.00 H new ATOM 1031 N ARG A 66 -4.426 3.270 1.620 1.00 1.00 N ATOM 1032 CA ARG A 66 -5.191 2.481 0.681 1.00 1.00 C ATOM 1033 C ARG A 66 -5.581 1.152 1.328 1.00 1.00 C ATOM 1034 O ARG A 66 -6.706 0.678 1.189 1.00 1.00 O ATOM 1035 CB ARG A 66 -4.365 2.244 -0.574 1.00 1.00 C ATOM 1036 CG ARG A 66 -4.171 3.573 -1.326 1.00 1.00 C ATOM 1037 CD ARG A 66 -5.458 4.001 -2.044 1.00 1.00 C ATOM 1038 NE ARG A 66 -6.003 2.880 -2.793 1.00 1.00 N ATOM 1039 CZ ARG A 66 -7.178 2.965 -3.400 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -7.869 4.069 -3.330 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -7.641 1.941 -4.063 1.00 1.00 N ATOM 0 H ARG A 66 -3.475 3.494 1.328 1.00 1.00 H new ATOM 0 HA ARG A 66 -6.101 3.015 0.405 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.396 1.820 -0.309 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.864 1.520 -1.218 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -3.868 4.350 -0.624 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -3.365 3.468 -2.052 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -6.190 4.354 -1.318 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -5.250 4.833 -2.717 1.00 1.00 H new ATOM 0 HE ARG A 66 -5.471 2.012 -2.852 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -7.505 4.866 -2.808 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -8.773 4.135 -3.797 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -7.099 1.078 -4.113 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -8.545 2.003 -4.531 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.632 0.536 2.013 1.00 1.00 N ATOM 1056 CA ALA A 67 -4.890 -0.743 2.659 1.00 1.00 C ATOM 1057 C ALA A 67 -5.996 -0.605 3.704 1.00 1.00 C ATOM 1058 O ALA A 67 -6.805 -1.515 3.892 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.606 -1.248 3.329 1.00 1.00 C ATOM 0 H ALA A 67 -3.685 0.895 2.136 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.214 -1.458 1.903 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -3.800 -2.205 3.812 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -2.828 -1.373 2.576 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.276 -0.525 4.075 1.00 1.00 H new ATOM 1065 N GLU A 68 -6.021 0.534 4.382 1.00 1.00 N ATOM 1066 CA GLU A 68 -7.018 0.790 5.410 1.00 1.00 C ATOM 1067 C GLU A 68 -8.416 0.863 4.825 1.00 1.00 C ATOM 1068 O GLU A 68 -9.309 0.148 5.264 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.705 2.113 6.098 1.00 1.00 C ATOM 1070 CG GLU A 68 -5.417 1.990 6.900 1.00 1.00 C ATOM 1071 CD GLU A 68 -5.616 1.053 8.085 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -6.754 0.869 8.483 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -4.628 0.532 8.574 1.00 1.00 O ATOM 0 H GLU A 68 -5.360 1.297 4.237 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.984 -0.034 6.123 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -6.606 2.904 5.355 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -7.527 2.394 6.756 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -4.618 1.614 6.261 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -5.106 2.973 7.254 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.606 1.728 3.837 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.922 1.865 3.234 1.00 1.00 C ATOM 1082 C LYS A 69 -10.350 0.537 2.608 1.00 1.00 C ATOM 1083 O LYS A 69 -11.540 0.183 2.632 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.911 2.973 2.167 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.928 2.596 1.073 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.867 3.691 0.001 1.00 1.00 C ATOM 1087 CE LYS A 69 -10.250 3.907 -0.627 1.00 1.00 C ATOM 1088 NZ LYS A 69 -10.980 4.934 0.160 1.00 1.00 N ATOM 0 H LYS A 69 -7.883 2.332 3.445 1.00 1.00 H new ATOM 0 HA LYS A 69 -10.636 2.139 4.011 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.909 3.102 1.748 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -9.628 3.925 2.616 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.938 2.445 1.503 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -9.226 1.651 0.619 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -8.513 4.622 0.444 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -8.150 3.412 -0.771 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -10.147 4.229 -1.663 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -10.810 2.972 -0.637 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -11.872 4.532 0.512 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -10.395 5.235 0.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -11.185 5.755 -0.445 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.387 -0.184 2.030 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.690 -1.454 1.378 1.00 1.00 C ATOM 1104 C LEU A 70 -10.260 -2.430 2.380 1.00 1.00 C ATOM 1105 O LEU A 70 -11.320 -3.026 2.165 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.424 -2.041 0.719 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.131 -1.305 -0.607 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.663 -1.494 -1.000 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.016 -1.859 -1.741 1.00 1.00 C ATOM 0 H LEU A 70 -8.404 0.087 2.001 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.432 -1.276 0.599 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.574 -1.944 1.394 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -8.562 -3.106 0.531 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.346 -0.247 -0.459 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.467 -0.971 -1.936 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.022 -1.089 -0.217 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.454 -2.556 -1.127 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -8.795 -1.328 -2.667 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -8.813 -2.922 -1.875 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.066 -1.719 -1.484 1.00 1.00 H new ATOM 1121 N LYS A 71 -9.578 -2.540 3.491 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.000 -3.401 4.573 1.00 1.00 C ATOM 1123 C LYS A 71 -11.240 -2.848 5.279 1.00 1.00 C ATOM 1124 O LYS A 71 -11.970 -3.593 5.934 1.00 1.00 O ATOM 1125 CB LYS A 71 -8.873 -3.556 5.591 1.00 1.00 C ATOM 1126 CG LYS A 71 -9.224 -4.699 6.549 1.00 1.00 C ATOM 1127 CD LYS A 71 -8.038 -5.010 7.463 1.00 1.00 C ATOM 1128 CE LYS A 71 -7.603 -3.743 8.198 1.00 1.00 C ATOM 1129 NZ LYS A 71 -8.809 -2.987 8.634 1.00 1.00 N ATOM 0 H LYS A 71 -8.711 -2.035 3.674 1.00 1.00 H new ATOM 0 HA LYS A 71 -10.249 -4.371 4.142 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -7.932 -3.766 5.083 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -8.736 -2.628 6.146 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -10.092 -4.426 7.149 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -9.496 -5.588 5.980 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -8.314 -5.782 8.182 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -7.208 -5.404 6.876 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -6.991 -4.002 9.062 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -6.988 -3.124 7.545 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -8.583 -2.435 9.486 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -9.109 -2.343 7.874 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -9.578 -3.654 8.847 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.460 -1.537 5.162 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.590 -0.885 5.819 1.00 1.00 C ATOM 1145 C ASP A 72 -13.940 -1.304 5.234 1.00 1.00 C ATOM 1146 O ASP A 72 -14.810 -1.793 5.945 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.450 0.628 5.631 1.00 1.00 C ATOM 1148 CG ASP A 72 -13.340 1.373 6.617 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -14.540 1.359 6.427 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -12.800 1.946 7.550 1.00 1.00 O ATOM 0 H ASP A 72 -10.870 -0.908 4.618 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.571 -1.179 6.868 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -11.411 0.924 5.775 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.720 0.900 4.611 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.080 -1.108 3.927 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.340 -1.480 3.289 1.00 1.00 C ATOM 1157 C TYR A 73 -15.380 -2.980 3.088 1.00 1.00 C ATOM 1158 O TYR A 73 -16.440 -3.583 3.060 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.570 -0.747 1.961 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.670 -1.289 0.890 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -14.990 -2.500 0.279 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.530 -0.591 0.503 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.180 -3.022 -0.713 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.710 -1.110 -0.499 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.030 -2.327 -1.104 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.220 -2.848 -2.077 1.00 1.00 O ATOM 0 H TYR A 73 -13.371 -0.711 3.310 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.150 -1.175 3.952 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.611 -0.855 1.656 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -15.385 0.319 2.092 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -15.878 -3.035 0.583 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -13.281 0.348 0.976 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -14.434 -3.961 -1.183 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.827 -0.570 -0.807 1.00 1.00 H new ATOM 0 HH TYR A 73 -12.488 -3.771 -2.266 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.220 -3.597 2.946 1.00 1.00 N ATOM 1177 CA LEU A 74 -14.200 -5.035 2.760 1.00 1.00 C ATOM 1178 C LEU A 74 -14.830 -5.718 3.969 1.00 1.00 C ATOM 1179 O LEU A 74 -15.700 -6.578 3.826 1.00 1.00 O ATOM 1180 CB LEU A 74 -12.760 -5.521 2.606 1.00 1.00 C ATOM 1181 CG LEU A 74 -12.300 -5.428 1.142 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -10.760 -5.633 1.053 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -13.070 -6.485 0.299 1.00 1.00 C ATOM 0 H LEU A 74 -13.307 -3.142 2.955 1.00 1.00 H new ATOM 0 HA LEU A 74 -14.765 -5.282 1.861 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.101 -4.923 3.236 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -12.682 -6.552 2.951 1.00 1.00 H new ATOM 0 HG LEU A 74 -12.522 -4.439 0.741 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -10.444 -5.565 0.012 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -10.256 -4.862 1.636 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -10.500 -6.615 1.448 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -12.749 -6.425 -0.741 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -12.861 -7.482 0.686 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -14.141 -6.289 0.360 1.00 1.00 H new ATOM 1195 N ARG A 75 -14.390 -5.332 5.157 1.00 1.00 N ATOM 1196 CA ARG A 75 -14.930 -5.919 6.364 1.00 1.00 C ATOM 1197 C ARG A 75 -16.380 -5.496 6.558 1.00 1.00 C ATOM 1198 O ARG A 75 -17.240 -6.313 6.895 1.00 1.00 O ATOM 1199 CB ARG A 75 -14.080 -5.505 7.570 1.00 1.00 C ATOM 1200 CG ARG A 75 -14.740 -6.009 8.856 1.00 1.00 C ATOM 1201 CD ARG A 75 -13.800 -5.785 10.040 1.00 1.00 C ATOM 1202 NE ARG A 75 -14.370 -6.374 11.249 1.00 1.00 N ATOM 1203 CZ ARG A 75 -14.260 -7.677 11.499 1.00 1.00 C ATOM 1204 NH1 ARG A 75 -13.640 -8.455 10.653 1.00 1.00 N ATOM 1205 NH2 ARG A 75 -14.770 -8.178 12.592 1.00 1.00 N ATOM 0 H ARG A 75 -13.670 -4.625 5.306 1.00 1.00 H new ATOM 0 HA ARG A 75 -14.902 -7.005 6.273 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -13.075 -5.917 7.479 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -13.978 -4.420 7.602 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -15.681 -5.485 9.022 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -14.977 -7.069 8.763 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -12.827 -6.231 9.832 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -13.636 -4.718 10.188 1.00 1.00 H new ATOM 0 HE ARG A 75 -14.861 -5.776 11.914 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -13.240 -8.064 9.800 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -13.556 -9.453 10.845 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -15.253 -7.571 13.254 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -14.686 -9.176 12.783 1.00 1.00 H new TER 1219 ARG A 75 ATOM 1220 N ILE B 168 16.118 5.508 -5.071 1.00 1.00 N ATOM 1221 CA ILE B 168 14.777 5.153 -4.607 1.00 1.00 C ATOM 1222 C ILE B 168 13.739 5.551 -5.644 1.00 1.00 C ATOM 1223 O ILE B 168 13.631 6.714 -6.029 1.00 1.00 O ATOM 1224 CB ILE B 168 14.496 5.852 -3.249 1.00 1.00 C ATOM 1225 CG1 ILE B 168 14.948 4.957 -2.084 1.00 1.00 C ATOM 1226 CG2 ILE B 168 13.003 6.130 -3.076 1.00 1.00 C ATOM 1227 CD1 ILE B 168 16.461 5.037 -1.897 1.00 1.00 C ATOM 0 HA ILE B 168 14.717 4.074 -4.466 1.00 1.00 H new ATOM 0 HB ILE B 168 15.050 6.791 -3.245 1.00 1.00 H new ATOM 0 HG12 ILE B 168 14.446 5.265 -1.167 1.00 1.00 H new ATOM 0 HG13 ILE B 168 14.655 3.925 -2.277 1.00 1.00 H new ATOM 0 HG21 ILE B 168 12.833 6.620 -2.117 1.00 1.00 H new ATOM 0 HG22 ILE B 168 12.658 6.779 -3.881 1.00 1.00 H new ATOM 0 HG23 ILE B 168 12.452 5.190 -3.106 1.00 1.00 H new ATOM 0 HD11 ILE B 168 16.759 4.396 -1.067 1.00 1.00 H new ATOM 0 HD12 ILE B 168 16.958 4.706 -2.809 1.00 1.00 H new ATOM 0 HD13 ILE B 168 16.747 6.066 -1.681 1.00 1.00 H new ATOM 1239 N GLU B 169 12.956 4.568 -6.073 1.00 1.00 N ATOM 1240 CA GLU B 169 11.897 4.807 -7.044 1.00 1.00 C ATOM 1241 C GLU B 169 10.624 4.117 -6.599 1.00 1.00 C ATOM 1242 O GLU B 169 10.567 2.890 -6.536 1.00 1.00 O ATOM 1243 CB GLU B 169 12.309 4.293 -8.418 1.00 1.00 C ATOM 1244 CG GLU B 169 11.234 4.663 -9.439 1.00 1.00 C ATOM 1245 CD GLU B 169 11.666 4.208 -10.820 1.00 1.00 C ATOM 1246 OE1 GLU B 169 12.593 3.421 -10.900 1.00 1.00 O ATOM 1247 OE2 GLU B 169 11.061 4.652 -11.780 1.00 1.00 O ATOM 0 H GLU B 169 13.035 3.599 -5.764 1.00 1.00 H new ATOM 0 HA GLU B 169 11.721 5.881 -7.110 1.00 1.00 H new ATOM 0 HB2 GLU B 169 13.267 4.725 -8.708 1.00 1.00 H new ATOM 0 HB3 GLU B 169 12.443 3.212 -8.389 1.00 1.00 H new ATOM 0 HG2 GLU B 169 10.287 4.195 -9.171 1.00 1.00 H new ATOM 0 HG3 GLU B 169 11.070 5.741 -9.435 1.00 1.00 H new ATOM 1254 N LEU B 170 9.603 4.908 -6.276 1.00 1.00 N ATOM 1255 CA LEU B 170 8.334 4.345 -5.814 1.00 1.00 C ATOM 1256 C LEU B 170 7.234 4.494 -6.878 1.00 1.00 C ATOM 1257 O LEU B 170 7.274 5.414 -7.696 1.00 1.00 O ATOM 1258 CB LEU B 170 7.896 5.047 -4.513 1.00 1.00 C ATOM 1259 CG LEU B 170 8.574 4.397 -3.286 1.00 1.00 C ATOM 1260 CD1 LEU B 170 7.930 3.043 -2.957 1.00 1.00 C ATOM 1261 CD2 LEU B 170 10.069 4.201 -3.547 1.00 1.00 C ATOM 0 H LEU B 170 9.627 5.927 -6.324 1.00 1.00 H new ATOM 0 HA LEU B 170 8.484 3.282 -5.628 1.00 1.00 H new ATOM 0 HB2 LEU B 170 8.155 6.105 -4.560 1.00 1.00 H new ATOM 0 HB3 LEU B 170 6.813 4.988 -4.409 1.00 1.00 H new ATOM 0 HG LEU B 170 8.439 5.065 -2.435 1.00 1.00 H new ATOM 0 HD11 LEU B 170 8.425 2.606 -2.090 1.00 1.00 H new ATOM 0 HD12 LEU B 170 6.872 3.187 -2.737 1.00 1.00 H new ATOM 0 HD13 LEU B 170 8.035 2.373 -3.810 1.00 1.00 H new ATOM 0 HD21 LEU B 170 10.534 3.742 -2.674 1.00 1.00 H new ATOM 0 HD22 LEU B 170 10.205 3.553 -4.413 1.00 1.00 H new ATOM 0 HD23 LEU B 170 10.534 5.168 -3.740 1.00 1.00 H new ATOM 1273 N PRO B 171 6.246 3.621 -6.862 1.00 1.00 N ATOM 1274 CA PRO B 171 5.112 3.706 -7.831 1.00 1.00 C ATOM 1275 C PRO B 171 3.955 4.514 -7.262 1.00 1.00 C ATOM 1276 O PRO B 171 4.010 4.985 -6.125 1.00 1.00 O ATOM 1277 CB PRO B 171 4.705 2.240 -8.070 1.00 1.00 C ATOM 1278 CG PRO B 171 5.178 1.504 -6.864 1.00 1.00 C ATOM 1279 CD PRO B 171 6.424 2.235 -6.380 1.00 1.00 C ATOM 0 HA PRO B 171 5.394 4.214 -8.753 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.626 2.145 -8.192 1.00 1.00 H new ATOM 0 HB3 PRO B 171 5.164 1.846 -8.977 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.410 1.490 -6.091 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.405 0.466 -7.106 1.00 1.00 H new ATOM 0 HD2 PRO B 171 6.509 2.200 -5.294 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.331 1.786 -6.786 1.00 1.00 H new ATOM 1287 N GLU B 172 2.898 4.664 -8.057 1.00 1.00 N ATOM 1288 CA GLU B 172 1.716 5.408 -7.632 1.00 1.00 C ATOM 1289 C GLU B 172 0.528 4.469 -7.508 1.00 1.00 C ATOM 1290 O GLU B 172 0.249 3.681 -8.410 1.00 1.00 O ATOM 1291 CB GLU B 172 1.395 6.511 -8.638 1.00 1.00 C ATOM 1292 CG GLU B 172 0.203 7.327 -8.135 1.00 1.00 C ATOM 1293 CD GLU B 172 -0.059 8.496 -9.075 1.00 1.00 C ATOM 1294 OE1 GLU B 172 0.521 8.508 -10.140 1.00 1.00 O ATOM 1295 OE2 GLU B 172 -0.835 9.362 -8.707 1.00 1.00 O ATOM 0 H GLU B 172 2.836 4.280 -9.000 1.00 1.00 H new ATOM 0 HA GLU B 172 1.920 5.861 -6.662 1.00 1.00 H new ATOM 0 HB2 GLU B 172 2.262 7.158 -8.773 1.00 1.00 H new ATOM 0 HB3 GLU B 172 1.167 6.076 -9.611 1.00 1.00 H new ATOM 0 HG2 GLU B 172 -0.682 6.694 -8.073 1.00 1.00 H new ATOM 0 HG3 GLU B 172 0.402 7.696 -7.129 1.00 1.00 H new ATOM 1302 N VAL B 173 -0.157 4.552 -6.378 1.00 1.00 N ATOM 1303 CA VAL B 173 -1.307 3.691 -6.136 1.00 1.00 C ATOM 1304 C VAL B 173 -2.443 4.006 -7.125 1.00 1.00 C ATOM 1305 O VAL B 173 -2.737 5.174 -7.387 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.810 3.858 -4.673 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -1.322 2.696 -3.799 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -1.273 5.164 -4.085 1.00 1.00 C ATOM 0 H VAL B 173 0.059 5.199 -5.620 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.996 2.657 -6.286 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.900 3.870 -4.688 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.684 2.831 -2.780 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.703 1.756 -4.198 1.00 1.00 H new ATOM 0 HG13 VAL B 173 -0.232 2.675 -3.797 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -1.629 5.275 -3.061 1.00 1.00 H new ATOM 0 HG22 VAL B 173 -0.183 5.145 -4.091 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -1.624 6.004 -4.684 1.00 1.00 H new ATOM 1318 N PRO B 174 -3.092 2.994 -7.661 1.00 1.00 N ATOM 1319 CA PRO B 174 -4.224 3.199 -8.616 1.00 1.00 C ATOM 1320 C PRO B 174 -5.485 3.702 -7.914 1.00 1.00 C ATOM 1321 O PRO B 174 -5.720 3.395 -6.744 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.437 1.806 -9.221 1.00 1.00 C ATOM 1323 CG PRO B 174 -4.010 0.857 -8.152 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.866 1.553 -7.415 1.00 1.00 C ATOM 0 HA PRO B 174 -4.004 3.961 -9.364 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.480 1.649 -9.496 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.846 1.674 -10.127 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.834 0.634 -7.474 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.682 -0.091 -8.578 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.883 1.325 -6.349 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.896 1.233 -7.795 1.00 1.00 H new ATOM 1332 N SER B 175 -6.302 4.467 -8.640 1.00 1.00 N ATOM 1333 CA SER B 175 -7.550 4.999 -8.086 1.00 1.00 C ATOM 1334 C SER B 175 -8.737 4.431 -8.842 1.00 1.00 C ATOM 1335 O SER B 175 -9.258 5.052 -9.769 1.00 1.00 O ATOM 1336 CB SER B 175 -7.561 6.525 -8.204 1.00 1.00 C ATOM 1337 OG SER B 175 -7.231 6.893 -9.537 1.00 1.00 O ATOM 0 H SER B 175 -6.124 4.732 -9.609 1.00 1.00 H new ATOM 0 HA SER B 175 -7.619 4.713 -7.036 1.00 1.00 H new ATOM 0 HB2 SER B 175 -8.544 6.915 -7.939 1.00 1.00 H new ATOM 0 HB3 SER B 175 -6.846 6.961 -7.506 1.00 1.00 H new ATOM 0 HG SER B 175 -7.900 6.527 -10.153 1.00 1.00 H new ATOM 1343 N GLU B 176 -9.164 3.243 -8.431 1.00 1.00 N ATOM 1344 CA GLU B 176 -10.300 2.582 -9.061 1.00 1.00 C ATOM 1345 C GLU B 176 -11.610 3.012 -8.397 1.00 1.00 C ATOM 1346 O GLU B 176 -11.600 3.645 -7.342 1.00 1.00 O ATOM 1347 CB GLU B 176 -10.130 1.061 -8.962 1.00 1.00 C ATOM 1348 CG GLU B 176 -9.515 0.691 -7.616 1.00 1.00 C ATOM 1349 CD GLU B 176 -9.654 -0.810 -7.385 1.00 1.00 C ATOM 1350 OE1 GLU B 176 -10.160 -1.478 -8.269 1.00 1.00 O ATOM 1351 OE2 GLU B 176 -9.251 -1.268 -6.330 1.00 1.00 O ATOM 0 H GLU B 176 -8.741 2.718 -7.665 1.00 1.00 H new ATOM 0 HA GLU B 176 -10.339 2.872 -10.111 1.00 1.00 H new ATOM 0 HB2 GLU B 176 -11.097 0.571 -9.076 1.00 1.00 H new ATOM 0 HB3 GLU B 176 -9.494 0.704 -9.772 1.00 1.00 H new ATOM 0 HG2 GLU B 176 -8.463 0.977 -7.595 1.00 1.00 H new ATOM 0 HG3 GLU B 176 -10.011 1.240 -6.815 1.00 1.00 H new ATOM 1358 N PRO B 177 -12.730 2.658 -8.983 1.00 1.00 N ATOM 1359 CA PRO B 177 -14.070 2.998 -8.405 1.00 1.00 C ATOM 1360 C PRO B 177 -14.520 1.931 -7.416 1.00 1.00 C ATOM 1361 O PRO B 177 -15.260 1.015 -7.773 1.00 1.00 O ATOM 1362 CB PRO B 177 -15.000 3.058 -9.635 1.00 1.00 C ATOM 1363 CG PRO B 177 -14.290 2.263 -10.680 1.00 1.00 C ATOM 1364 CD PRO B 177 -12.810 2.492 -10.440 1.00 1.00 C ATOM 0 HA PRO B 177 -14.066 3.933 -7.844 1.00 1.00 H new ATOM 0 HB2 PRO B 177 -15.980 2.636 -9.413 1.00 1.00 H new ATOM 0 HB3 PRO B 177 -15.162 4.086 -9.960 1.00 1.00 H new ATOM 0 HG2 PRO B 177 -14.539 1.205 -10.603 1.00 1.00 H new ATOM 0 HG3 PRO B 177 -14.578 2.586 -11.680 1.00 1.00 H new ATOM 0 HD2 PRO B 177 -12.211 1.648 -10.783 1.00 1.00 H new ATOM 0 HD3 PRO B 177 -12.448 3.375 -10.967 1.00 1.00 H new ATOM 1372 N LEU B 178 -14.070 2.043 -6.174 1.00 1.00 N ATOM 1373 CA LEU B 178 -14.440 1.065 -5.163 1.00 1.00 C ATOM 1374 C LEU B 178 -15.900 1.248 -4.742 1.00 1.00 C ATOM 1375 O LEU B 178 -16.370 2.380 -4.620 1.00 1.00 O ATOM 1376 CB LEU B 178 -13.520 1.204 -3.948 1.00 1.00 C ATOM 1377 CG LEU B 178 -12.060 0.980 -4.375 1.00 1.00 C ATOM 1378 CD1 LEU B 178 -11.130 1.552 -3.308 1.00 1.00 C ATOM 1379 CD2 LEU B 178 -11.770 -0.521 -4.542 1.00 1.00 C ATOM 0 H LEU B 178 -13.457 2.790 -5.846 1.00 1.00 H new ATOM 0 HA LEU B 178 -14.329 0.067 -5.586 1.00 1.00 H new ATOM 0 HB2 LEU B 178 -13.632 2.194 -3.506 1.00 1.00 H new ATOM 0 HB3 LEU B 178 -13.800 0.480 -3.183 1.00 1.00 H new ATOM 0 HG LEU B 178 -11.893 1.481 -5.329 1.00 1.00 H new ATOM 0 HD11 LEU B 178 -10.094 1.395 -3.607 1.00 1.00 H new ATOM 0 HD12 LEU B 178 -11.318 2.620 -3.196 1.00 1.00 H new ATOM 0 HD13 LEU B 178 -11.314 1.050 -2.358 1.00 1.00 H new ATOM 0 HD21 LEU B 178 -10.732 -0.660 -4.844 1.00 1.00 H new ATOM 0 HD22 LEU B 178 -11.944 -1.033 -3.595 1.00 1.00 H new ATOM 0 HD23 LEU B 178 -12.429 -0.936 -5.305 1.00 1.00 H new ATOM 1391 N PRO B 179 -16.620 0.165 -4.527 1.00 1.00 N ATOM 1392 CA PRO B 179 -18.060 0.238 -4.125 1.00 1.00 C ATOM 1393 C PRO B 179 -18.370 1.468 -3.269 1.00 1.00 C ATOM 1394 O PRO B 179 -17.650 1.759 -2.310 1.00 1.00 O ATOM 1395 CB PRO B 179 -18.270 -1.052 -3.323 1.00 1.00 C ATOM 1396 CG PRO B 179 -17.290 -2.037 -3.884 1.00 1.00 C ATOM 1397 CD PRO B 179 -16.120 -1.224 -4.455 1.00 1.00 C ATOM 0 HA PRO B 179 -18.720 0.329 -4.988 1.00 1.00 H new ATOM 0 HB2 PRO B 179 -18.095 -0.886 -2.260 1.00 1.00 H new ATOM 0 HB3 PRO B 179 -19.293 -1.415 -3.424 1.00 1.00 H new ATOM 0 HG2 PRO B 179 -16.943 -2.721 -3.109 1.00 1.00 H new ATOM 0 HG3 PRO B 179 -17.754 -2.644 -4.661 1.00 1.00 H new ATOM 0 HD2 PRO B 179 -15.241 -1.294 -3.815 1.00 1.00 H new ATOM 0 HD3 PRO B 179 -15.828 -1.590 -5.439 1.00 1.00 H new TER 1405 PRO B 179