USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 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 44 GLN : amide:sc= -2.86! K(o=-3.9!,f=-4.5) USER MOD Set 1.2: B 44 GLN : amide:sc= -1.04 K(o=-3.9,f=-4.5) USER MOD Single : A 1 PHE N :NH3+ 143:sc= 0.638 (180deg=0.0886) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -20:sc= 1.22 USER MOD Single : A 16 HIS : no HD1:sc= -1.75 X(o=-1.7,f=-2.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.045 K(o=-0.045,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 153:sc= -0.189 (180deg=-1.28!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 72:sc= 0.292 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -0.15 (180deg=-0.825) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.282 K(o=-0.28,f=-0.99) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : B 1 PHE N :NH3+ 142:sc= 0.567 (180deg=0.0988) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.5!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -30:sc= 1.21 USER MOD Single : B 16 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-2) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.032 K(o=-0.032,f=-1.8!) USER MOD Single : B 22 MET CE :methyl 155:sc= -0.148 (180deg=-1.35) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 72:sc= 0.291 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 160:sc= -0.16 (180deg=-0.914) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.254 K(o=-0.25,f=-0.95) USER MOD Single : B 53 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.275 -4.504 24.167 1.00 0.00 N ATOM 2 CA PHE A 1 95.068 -3.626 25.075 1.00 0.00 C ATOM 3 C PHE A 1 94.983 -2.183 24.594 1.00 0.00 C ATOM 4 O PHE A 1 95.976 -1.560 24.278 1.00 0.00 O ATOM 5 CB PHE A 1 96.526 -4.056 25.057 1.00 0.00 C ATOM 6 CG PHE A 1 96.656 -5.463 25.591 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.702 -5.680 26.971 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.734 -6.549 24.708 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.829 -6.982 27.471 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.861 -7.852 25.210 1.00 0.00 C ATOM 11 CZ PHE A 1 96.908 -8.067 26.590 1.00 0.00 C ATOM 0 H1 PHE A 1 94.763 -5.415 24.052 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.332 -4.665 24.576 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.176 -4.045 23.239 1.00 0.00 H new ATOM 0 HA PHE A 1 94.667 -3.708 26.085 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.916 -4.007 24.040 1.00 0.00 H new ATOM 0 HB3 PHE A 1 97.123 -3.372 25.661 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.640 -4.844 27.652 1.00 0.00 H new ATOM 0 HD2 PHE A 1 96.696 -6.382 23.642 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.866 -7.149 28.537 1.00 0.00 H new ATOM 0 HE2 PHE A 1 96.922 -8.689 24.530 1.00 0.00 H new ATOM 0 HZ PHE A 1 97.005 -9.071 26.977 1.00 0.00 H new ATOM 23 N LEU A 2 93.800 -1.651 24.530 1.00 0.00 N ATOM 24 CA LEU A 2 93.617 -0.243 24.062 1.00 0.00 C ATOM 25 C LEU A 2 93.461 0.692 25.253 1.00 0.00 C ATOM 26 O LEU A 2 92.836 0.367 26.233 1.00 0.00 O ATOM 27 CB LEU A 2 92.369 -0.156 23.179 1.00 0.00 C ATOM 28 CG LEU A 2 92.526 -1.078 21.962 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.226 -1.063 21.152 1.00 0.00 C ATOM 30 CD2 LEU A 2 93.693 -0.598 21.079 1.00 0.00 C ATOM 0 H LEU A 2 92.938 -2.133 24.784 1.00 0.00 H new ATOM 0 HA LEU A 2 94.495 0.056 23.489 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.487 -0.442 23.752 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.216 0.872 22.850 1.00 0.00 H new ATOM 0 HG LEU A 2 92.738 -2.092 22.302 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.330 -1.716 20.285 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.405 -1.416 21.776 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.017 -0.047 20.818 1.00 0.00 H new ATOM 0 HD21 LEU A 2 93.795 -1.260 20.219 1.00 0.00 H new ATOM 0 HD22 LEU A 2 93.495 0.417 20.734 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.616 -0.611 21.658 1.00 0.00 H new ATOM 42 N ASP A 3 94.013 1.867 25.164 1.00 0.00 N ATOM 43 CA ASP A 3 93.876 2.830 26.285 1.00 0.00 C ATOM 44 C ASP A 3 92.390 3.100 26.485 1.00 0.00 C ATOM 45 O ASP A 3 91.907 3.188 27.596 1.00 0.00 O ATOM 46 CB ASP A 3 94.608 4.129 25.945 1.00 0.00 C ATOM 47 CG ASP A 3 96.116 3.874 25.959 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.539 2.979 26.670 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.823 4.581 25.260 1.00 0.00 O ATOM 0 H ASP A 3 94.552 2.201 24.365 1.00 0.00 H new ATOM 0 HA ASP A 3 94.312 2.423 27.197 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.297 4.490 24.965 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.351 4.905 26.666 1.00 0.00 H new ATOM 54 N GLY A 4 91.653 3.208 25.411 1.00 0.00 N ATOM 55 CA GLY A 4 90.187 3.443 25.531 1.00 0.00 C ATOM 56 C GLY A 4 89.609 2.466 26.558 1.00 0.00 C ATOM 57 O GLY A 4 88.516 2.646 27.056 1.00 0.00 O ATOM 0 H GLY A 4 92.005 3.143 24.456 1.00 0.00 H new ATOM 0 HA2 GLY A 4 89.994 4.471 25.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 89.703 3.304 24.564 1.00 0.00 H new ATOM 61 N ILE A 5 90.351 1.442 26.897 1.00 0.00 N ATOM 62 CA ILE A 5 89.860 0.472 27.913 1.00 0.00 C ATOM 63 C ILE A 5 89.630 1.224 29.224 1.00 0.00 C ATOM 64 O ILE A 5 88.661 1.000 29.922 1.00 0.00 O ATOM 65 CB ILE A 5 90.902 -0.643 28.109 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.905 -1.557 26.882 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.566 -1.464 29.361 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.130 -2.479 26.929 1.00 0.00 C ATOM 0 H ILE A 5 91.274 1.239 26.513 1.00 0.00 H new ATOM 0 HA ILE A 5 88.927 0.015 27.584 1.00 0.00 H new ATOM 0 HB ILE A 5 91.887 -0.194 28.234 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.991 -2.151 26.856 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.922 -0.959 25.971 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.309 -2.250 29.491 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.570 -0.813 30.235 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.579 -1.913 29.248 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.130 -3.129 26.054 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.039 -1.877 26.934 1.00 0.00 H new ATOM 0 HD13 ILE A 5 92.093 -3.087 27.833 1.00 0.00 H new ATOM 80 N ASP A 6 90.509 2.129 29.551 1.00 0.00 N ATOM 81 CA ASP A 6 90.341 2.917 30.803 1.00 0.00 C ATOM 82 C ASP A 6 89.048 3.729 30.709 1.00 0.00 C ATOM 83 O ASP A 6 88.310 3.858 31.666 1.00 0.00 O ATOM 84 CB ASP A 6 91.529 3.868 30.966 1.00 0.00 C ATOM 85 CG ASP A 6 92.790 3.066 31.291 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.655 1.956 31.779 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.871 3.577 31.048 1.00 0.00 O ATOM 0 H ASP A 6 91.339 2.357 29.004 1.00 0.00 H new ATOM 0 HA ASP A 6 90.294 2.246 31.661 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.677 4.441 30.051 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.327 4.585 31.762 1.00 0.00 H new ATOM 92 N LYS A 7 88.770 4.275 29.557 1.00 0.00 N ATOM 93 CA LYS A 7 87.527 5.082 29.387 1.00 0.00 C ATOM 94 C LYS A 7 86.318 4.160 29.487 1.00 0.00 C ATOM 95 O LYS A 7 85.281 4.530 30.002 1.00 0.00 O ATOM 96 CB LYS A 7 87.540 5.756 28.015 1.00 0.00 C ATOM 97 CG LYS A 7 88.627 6.826 27.998 1.00 0.00 C ATOM 98 CD LYS A 7 88.661 7.518 26.635 1.00 0.00 C ATOM 99 CE LYS A 7 89.757 8.585 26.642 1.00 0.00 C ATOM 100 NZ LYS A 7 89.895 9.168 25.279 1.00 0.00 N ATOM 0 H LYS A 7 89.352 4.197 28.723 1.00 0.00 H new ATOM 0 HA LYS A 7 87.475 5.845 30.164 1.00 0.00 H new ATOM 0 HB2 LYS A 7 87.726 5.018 27.235 1.00 0.00 H new ATOM 0 HB3 LYS A 7 86.568 6.203 27.806 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.439 7.559 28.782 1.00 0.00 H new ATOM 0 HG3 LYS A 7 89.596 6.374 28.210 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.851 6.789 25.848 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.694 7.973 26.420 1.00 0.00 H new ATOM 0 HE2 LYS A 7 89.512 9.368 27.360 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.703 8.147 26.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 90.640 9.893 25.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 90.148 8.418 24.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 88.993 9.601 24.994 1.00 0.00 H new ATOM 114 N ALA A 8 86.439 2.961 28.999 1.00 0.00 N ATOM 115 CA ALA A 8 85.297 2.018 29.067 1.00 0.00 C ATOM 116 C ALA A 8 84.914 1.795 30.533 1.00 0.00 C ATOM 117 O ALA A 8 83.752 1.659 30.864 1.00 0.00 O ATOM 118 CB ALA A 8 85.699 0.689 28.431 1.00 0.00 C ATOM 0 H ALA A 8 87.281 2.594 28.556 1.00 0.00 H new ATOM 0 HA ALA A 8 84.444 2.431 28.528 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.861 -0.006 28.480 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.974 0.853 27.389 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.549 0.270 28.969 1.00 0.00 H new ATOM 124 N GLN A 9 85.875 1.762 31.418 1.00 0.00 N ATOM 125 CA GLN A 9 85.542 1.554 32.857 1.00 0.00 C ATOM 126 C GLN A 9 84.628 2.689 33.328 1.00 0.00 C ATOM 127 O GLN A 9 83.659 2.473 34.029 1.00 0.00 O ATOM 128 CB GLN A 9 86.830 1.568 33.689 1.00 0.00 C ATOM 129 CG GLN A 9 87.649 0.310 33.396 1.00 0.00 C ATOM 130 CD GLN A 9 89.020 0.424 34.063 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.534 1.510 34.242 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.638 -0.661 34.445 1.00 0.00 N ATOM 0 H GLN A 9 86.868 1.869 31.209 1.00 0.00 H new ATOM 0 HA GLN A 9 85.039 0.595 32.981 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.416 2.457 33.455 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.588 1.616 34.751 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.125 -0.571 33.766 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.766 0.183 32.320 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.207 -1.573 34.295 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.552 -0.596 34.893 1.00 0.00 H new ATOM 141 N GLU A 10 84.933 3.897 32.942 1.00 0.00 N ATOM 142 CA GLU A 10 84.093 5.058 33.351 1.00 0.00 C ATOM 143 C GLU A 10 82.670 4.895 32.807 1.00 0.00 C ATOM 144 O GLU A 10 81.701 5.222 33.464 1.00 0.00 O ATOM 145 CB GLU A 10 84.706 6.346 32.798 1.00 0.00 C ATOM 146 CG GLU A 10 86.012 6.650 33.535 1.00 0.00 C ATOM 147 CD GLU A 10 86.623 7.937 32.978 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.131 8.415 31.970 1.00 0.00 O ATOM 149 OE2 GLU A 10 87.574 8.422 33.569 1.00 0.00 O ATOM 0 H GLU A 10 85.734 4.131 32.356 1.00 0.00 H new ATOM 0 HA GLU A 10 84.054 5.106 34.439 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.895 6.241 31.730 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.007 7.174 32.918 1.00 0.00 H new ATOM 0 HG2 GLU A 10 85.823 6.757 34.603 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.711 5.822 33.416 1.00 0.00 H new ATOM 156 N GLU A 11 82.540 4.420 31.597 1.00 0.00 N ATOM 157 CA GLU A 11 81.185 4.262 30.982 1.00 0.00 C ATOM 158 C GLU A 11 80.634 2.855 31.242 1.00 0.00 C ATOM 159 O GLU A 11 79.552 2.519 30.804 1.00 0.00 O ATOM 160 CB GLU A 11 81.299 4.484 29.475 1.00 0.00 C ATOM 161 CG GLU A 11 81.796 5.905 29.204 1.00 0.00 C ATOM 162 CD GLU A 11 81.909 6.126 27.695 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.781 5.158 26.964 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.128 7.259 27.297 1.00 0.00 O ATOM 0 H GLU A 11 83.318 4.132 31.003 1.00 0.00 H new ATOM 0 HA GLU A 11 80.507 4.991 31.426 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.987 3.758 29.041 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.330 4.329 29.000 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.109 6.631 29.638 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.765 6.060 29.679 1.00 0.00 H new ATOM 171 N CYS A 12 81.360 2.027 31.944 1.00 0.00 N ATOM 172 CA CYS A 12 80.855 0.647 32.215 1.00 0.00 C ATOM 173 C CYS A 12 79.419 0.726 32.740 1.00 0.00 C ATOM 174 O CYS A 12 78.551 -0.017 32.326 1.00 0.00 O ATOM 175 CB CYS A 12 81.741 -0.023 33.267 1.00 0.00 C ATOM 176 SG CYS A 12 81.132 -1.698 33.590 1.00 0.00 S ATOM 0 H CYS A 12 82.275 2.243 32.340 1.00 0.00 H new ATOM 0 HA CYS A 12 80.878 0.064 31.294 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.773 -0.061 32.918 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.736 0.561 34.187 1.00 0.00 H new ATOM 181 N GLU A 13 79.165 1.626 33.645 1.00 0.00 N ATOM 182 CA GLU A 13 77.792 1.770 34.200 1.00 0.00 C ATOM 183 C GLU A 13 76.815 2.108 33.067 1.00 0.00 C ATOM 184 O GLU A 13 75.695 1.639 33.038 1.00 0.00 O ATOM 185 CB GLU A 13 77.788 2.887 35.247 1.00 0.00 C ATOM 186 CG GLU A 13 76.389 3.027 35.847 1.00 0.00 C ATOM 187 CD GLU A 13 76.444 3.962 37.056 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.528 4.423 37.374 1.00 0.00 O ATOM 189 OE2 GLU A 13 75.403 4.201 37.645 1.00 0.00 O ATOM 0 H GLU A 13 79.854 2.273 34.027 1.00 0.00 H new ATOM 0 HA GLU A 13 77.482 0.836 34.668 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.510 2.665 36.032 1.00 0.00 H new ATOM 0 HB3 GLU A 13 78.094 3.828 34.790 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.699 3.421 35.100 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.011 2.050 36.147 1.00 0.00 H new ATOM 196 N LYS A 14 77.229 2.933 32.144 1.00 0.00 N ATOM 197 CA LYS A 14 76.330 3.321 31.020 1.00 0.00 C ATOM 198 C LYS A 14 75.959 2.095 30.177 1.00 0.00 C ATOM 199 O LYS A 14 74.844 1.972 29.713 1.00 0.00 O ATOM 200 CB LYS A 14 77.033 4.352 30.134 1.00 0.00 C ATOM 201 CG LYS A 14 76.031 4.922 29.128 1.00 0.00 C ATOM 202 CD LYS A 14 76.722 5.957 28.239 1.00 0.00 C ATOM 203 CE LYS A 14 75.666 6.730 27.447 1.00 0.00 C ATOM 204 NZ LYS A 14 76.329 7.788 26.634 1.00 0.00 N ATOM 0 H LYS A 14 78.156 3.357 32.120 1.00 0.00 H new ATOM 0 HA LYS A 14 75.418 3.750 31.436 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.446 5.153 30.747 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.868 3.888 29.610 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.620 4.119 28.516 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.195 5.382 29.654 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.310 6.643 28.849 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.415 5.463 27.558 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.114 6.051 26.798 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.943 7.179 28.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.611 8.313 26.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.837 8.442 27.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.003 7.348 25.975 1.00 0.00 H new ATOM 218 N TYR A 15 76.879 1.191 29.960 1.00 0.00 N ATOM 219 CA TYR A 15 76.557 -0.008 29.128 1.00 0.00 C ATOM 220 C TYR A 15 75.878 -1.077 29.989 1.00 0.00 C ATOM 221 O TYR A 15 75.355 -2.048 29.480 1.00 0.00 O ATOM 222 CB TYR A 15 77.846 -0.592 28.543 1.00 0.00 C ATOM 223 CG TYR A 15 78.416 0.355 27.516 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.896 0.377 26.217 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.467 1.211 27.863 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.427 1.255 25.264 1.00 0.00 C ATOM 227 CE2 TYR A 15 80.000 2.089 26.912 1.00 0.00 C ATOM 228 CZ TYR A 15 79.480 2.111 25.611 1.00 0.00 C ATOM 229 OH TYR A 15 80.005 2.976 24.672 1.00 0.00 O ATOM 0 H TYR A 15 77.833 1.230 30.320 1.00 0.00 H new ATOM 0 HA TYR A 15 75.887 0.295 28.323 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.573 -0.762 29.338 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.643 -1.560 28.085 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.085 -0.284 25.949 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.868 1.194 28.866 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.025 1.272 24.262 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.811 2.749 27.181 1.00 0.00 H new ATOM 0 HH TYR A 15 79.776 2.661 23.773 1.00 0.00 H new ATOM 239 N HIS A 16 75.882 -0.908 31.282 1.00 0.00 N ATOM 240 CA HIS A 16 75.233 -1.915 32.172 1.00 0.00 C ATOM 241 C HIS A 16 75.884 -3.283 31.964 1.00 0.00 C ATOM 242 O HIS A 16 77.090 -3.404 31.874 1.00 0.00 O ATOM 243 CB HIS A 16 73.739 -2.009 31.851 1.00 0.00 C ATOM 244 CG HIS A 16 73.162 -0.626 31.733 1.00 0.00 C ATOM 245 ND1 HIS A 16 72.978 -0.004 30.507 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.718 0.267 32.677 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.443 1.208 30.743 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.267 1.420 32.049 1.00 0.00 N ATOM 0 H HIS A 16 76.307 -0.115 31.763 1.00 0.00 H new ATOM 0 HA HIS A 16 75.360 -1.605 33.209 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.590 -2.557 30.921 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.222 -2.564 32.634 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.719 0.098 33.744 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.188 1.920 29.972 1.00 0.00 H new ATOM 0 HE2 HIS A 16 71.882 2.254 32.492 1.00 0.00 H new ATOM 257 N SER A 17 75.091 -4.319 31.897 1.00 0.00 N ATOM 258 CA SER A 17 75.648 -5.689 31.703 1.00 0.00 C ATOM 259 C SER A 17 75.806 -5.986 30.208 1.00 0.00 C ATOM 260 O SER A 17 76.217 -7.063 29.824 1.00 0.00 O ATOM 261 CB SER A 17 74.699 -6.711 32.331 1.00 0.00 C ATOM 262 OG SER A 17 74.822 -6.656 33.747 1.00 0.00 O ATOM 0 H SER A 17 74.075 -4.274 31.969 1.00 0.00 H new ATOM 0 HA SER A 17 76.626 -5.751 32.180 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.671 -6.501 32.035 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.935 -7.713 31.972 1.00 0.00 H new ATOM 0 HG SER A 17 74.214 -7.308 34.154 1.00 0.00 H new ATOM 268 N ASN A 18 75.481 -5.048 29.357 1.00 0.00 N ATOM 269 CA ASN A 18 75.619 -5.296 27.890 1.00 0.00 C ATOM 270 C ASN A 18 77.069 -5.056 27.464 1.00 0.00 C ATOM 271 O ASN A 18 77.390 -4.049 26.866 1.00 0.00 O ATOM 272 CB ASN A 18 74.707 -4.340 27.116 1.00 0.00 C ATOM 273 CG ASN A 18 73.244 -4.724 27.335 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.945 -5.838 27.719 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.310 -3.843 27.101 1.00 0.00 N ATOM 0 H ASN A 18 75.128 -4.126 29.612 1.00 0.00 H new ATOM 0 HA ASN A 18 75.337 -6.326 27.675 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.876 -3.315 27.446 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.946 -4.376 26.053 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.330 -4.089 27.240 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.560 -2.908 26.779 1.00 0.00 H new ATOM 282 N TRP A 19 77.946 -5.974 27.762 1.00 0.00 N ATOM 283 CA TRP A 19 79.372 -5.799 27.368 1.00 0.00 C ATOM 284 C TRP A 19 79.510 -5.928 25.849 1.00 0.00 C ATOM 285 O TRP A 19 80.424 -5.397 25.251 1.00 0.00 O ATOM 286 CB TRP A 19 80.231 -6.862 28.057 1.00 0.00 C ATOM 287 CG TRP A 19 79.769 -8.228 27.658 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.815 -8.942 28.299 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.226 -9.059 26.552 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.658 -10.156 27.657 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.505 -10.277 26.574 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.188 -8.877 25.542 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.729 -11.278 25.628 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.415 -9.883 24.587 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.688 -11.080 24.631 1.00 0.00 C ATOM 0 H TRP A 19 77.737 -6.838 28.262 1.00 0.00 H new ATOM 0 HA TRP A 19 79.710 -4.809 27.675 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.278 -6.729 27.784 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.167 -6.749 29.139 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.266 -8.616 29.170 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.996 -10.875 27.948 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.755 -7.959 25.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.166 -12.199 25.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 82.154 -9.732 23.814 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.869 -11.849 23.895 1.00 0.00 H new ATOM 306 N ARG A 20 78.613 -6.638 25.223 1.00 0.00 N ATOM 307 CA ARG A 20 78.695 -6.813 23.745 1.00 0.00 C ATOM 308 C ARG A 20 78.620 -5.449 23.060 1.00 0.00 C ATOM 309 O ARG A 20 79.328 -5.180 22.109 1.00 0.00 O ATOM 310 CB ARG A 20 77.522 -7.677 23.289 1.00 0.00 C ATOM 311 CG ARG A 20 77.735 -9.104 23.789 1.00 0.00 C ATOM 312 CD ARG A 20 76.557 -9.980 23.367 1.00 0.00 C ATOM 313 NE ARG A 20 76.757 -11.358 23.894 1.00 0.00 N ATOM 314 CZ ARG A 20 75.758 -12.195 23.922 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.584 -11.822 23.492 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.931 -13.405 24.381 1.00 0.00 N ATOM 0 H ARG A 20 77.825 -7.106 25.672 1.00 0.00 H new ATOM 0 HA ARG A 20 79.637 -7.293 23.481 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.586 -7.277 23.678 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.446 -7.666 22.202 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.663 -9.507 23.384 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.833 -9.108 24.875 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.624 -9.564 23.748 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.476 -10.002 22.280 1.00 0.00 H new ATOM 0 HE ARG A 20 77.675 -11.647 24.233 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.449 -10.876 23.134 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.802 -12.476 23.513 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.849 -13.696 24.718 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.149 -14.059 24.402 1.00 0.00 H new ATOM 330 N ALA A 21 77.772 -4.585 23.539 1.00 0.00 N ATOM 331 CA ALA A 21 77.656 -3.237 22.919 1.00 0.00 C ATOM 332 C ALA A 21 78.958 -2.471 23.146 1.00 0.00 C ATOM 333 O ALA A 21 79.489 -1.844 22.251 1.00 0.00 O ATOM 334 CB ALA A 21 76.496 -2.476 23.569 1.00 0.00 C ATOM 0 H ALA A 21 77.154 -4.753 24.333 1.00 0.00 H new ATOM 0 HA ALA A 21 77.469 -3.337 21.850 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.410 -1.488 23.116 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.568 -3.028 23.417 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.684 -2.370 24.637 1.00 0.00 H new ATOM 340 N MET A 22 79.478 -2.522 24.340 1.00 0.00 N ATOM 341 CA MET A 22 80.747 -1.806 24.636 1.00 0.00 C ATOM 342 C MET A 22 81.876 -2.375 23.773 1.00 0.00 C ATOM 343 O MET A 22 82.690 -1.649 23.240 1.00 0.00 O ATOM 344 CB MET A 22 81.086 -1.986 26.115 1.00 0.00 C ATOM 345 CG MET A 22 82.378 -1.237 26.441 1.00 0.00 C ATOM 346 SD MET A 22 82.651 -1.280 28.227 1.00 0.00 S ATOM 347 CE MET A 22 82.839 -3.070 28.391 1.00 0.00 C ATOM 0 H MET A 22 79.076 -3.032 25.127 1.00 0.00 H new ATOM 0 HA MET A 22 80.631 -0.746 24.412 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.271 -1.611 26.733 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.200 -3.045 26.346 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.220 -1.695 25.921 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.312 -0.205 26.095 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.463 -3.293 29.256 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.859 -3.528 28.523 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.308 -3.470 27.492 1.00 0.00 H new ATOM 357 N ALA A 23 81.929 -3.670 23.626 1.00 0.00 N ATOM 358 CA ALA A 23 83.005 -4.281 22.795 1.00 0.00 C ATOM 359 C ALA A 23 82.924 -3.716 21.376 1.00 0.00 C ATOM 360 O ALA A 23 83.927 -3.447 20.746 1.00 0.00 O ATOM 361 CB ALA A 23 82.821 -5.800 22.753 1.00 0.00 C ATOM 0 H ALA A 23 81.275 -4.331 24.045 1.00 0.00 H new ATOM 0 HA ALA A 23 83.978 -4.049 23.227 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.609 -6.245 22.145 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.874 -6.201 23.765 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.850 -6.037 22.319 1.00 0.00 H new ATOM 367 N SER A 24 81.735 -3.544 20.868 1.00 0.00 N ATOM 368 CA SER A 24 81.578 -3.006 19.486 1.00 0.00 C ATOM 369 C SER A 24 82.058 -1.553 19.431 1.00 0.00 C ATOM 370 O SER A 24 82.661 -1.127 18.465 1.00 0.00 O ATOM 371 CB SER A 24 80.106 -3.077 19.075 1.00 0.00 C ATOM 372 OG SER A 24 79.983 -2.717 17.704 1.00 0.00 O ATOM 0 H SER A 24 80.862 -3.753 21.352 1.00 0.00 H new ATOM 0 HA SER A 24 82.178 -3.604 18.800 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.720 -4.084 19.235 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.511 -2.406 19.694 1.00 0.00 H new ATOM 0 HG SER A 24 79.041 -2.763 17.437 1.00 0.00 H new ATOM 378 N ASP A 25 81.787 -0.785 20.451 1.00 0.00 N ATOM 379 CA ASP A 25 82.218 0.643 20.439 1.00 0.00 C ATOM 380 C ASP A 25 83.740 0.739 20.563 1.00 0.00 C ATOM 381 O ASP A 25 84.371 1.546 19.908 1.00 0.00 O ATOM 382 CB ASP A 25 81.567 1.382 21.610 1.00 0.00 C ATOM 383 CG ASP A 25 80.069 1.542 21.343 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.678 1.452 20.191 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.338 1.762 22.295 1.00 0.00 O ATOM 0 H ASP A 25 81.288 -1.083 21.289 1.00 0.00 H new ATOM 0 HA ASP A 25 81.909 1.097 19.497 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.725 0.829 22.536 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.031 2.360 21.740 1.00 0.00 H new ATOM 390 N PHE A 26 84.340 -0.080 21.384 1.00 0.00 N ATOM 391 CA PHE A 26 85.830 -0.040 21.536 1.00 0.00 C ATOM 392 C PHE A 26 86.451 -1.107 20.628 1.00 0.00 C ATOM 393 O PHE A 26 87.654 -1.262 20.564 1.00 0.00 O ATOM 394 CB PHE A 26 86.221 -0.304 22.995 1.00 0.00 C ATOM 395 CG PHE A 26 85.809 0.875 23.852 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.692 1.949 24.045 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.542 0.899 24.450 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.307 3.040 24.834 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.159 1.991 25.238 1.00 0.00 C ATOM 400 CZ PHE A 26 85.041 3.062 25.429 1.00 0.00 C ATOM 0 H PHE A 26 83.866 -0.777 21.958 1.00 0.00 H new ATOM 0 HA PHE A 26 86.198 0.946 21.252 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.738 -1.213 23.353 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.297 -0.464 23.071 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.669 1.934 23.585 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.860 0.074 24.303 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.988 3.865 24.983 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.182 2.007 25.699 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.744 3.905 26.036 1.00 0.00 H new ATOM 410 N ASN A 27 85.631 -1.834 19.913 1.00 0.00 N ATOM 411 CA ASN A 27 86.155 -2.885 18.988 1.00 0.00 C ATOM 412 C ASN A 27 87.083 -3.838 19.743 1.00 0.00 C ATOM 413 O ASN A 27 88.167 -4.145 19.288 1.00 0.00 O ATOM 414 CB ASN A 27 86.934 -2.217 17.856 1.00 0.00 C ATOM 415 CG ASN A 27 86.019 -1.242 17.113 1.00 0.00 C ATOM 416 OD1 ASN A 27 86.361 -0.091 16.928 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.859 -1.655 16.682 1.00 0.00 N ATOM 0 H ASN A 27 84.615 -1.744 19.930 1.00 0.00 H new ATOM 0 HA ASN A 27 85.317 -3.451 18.582 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.798 -1.687 18.258 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.315 -2.971 17.168 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.239 -1.012 16.190 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.572 -2.621 16.837 1.00 0.00 H new ATOM 424 N LEU A 28 86.665 -4.307 20.893 1.00 0.00 N ATOM 425 CA LEU A 28 87.516 -5.244 21.697 1.00 0.00 C ATOM 426 C LEU A 28 86.781 -6.585 21.889 1.00 0.00 C ATOM 427 O LEU A 28 85.700 -6.608 22.441 1.00 0.00 O ATOM 428 CB LEU A 28 87.748 -4.631 23.077 1.00 0.00 C ATOM 429 CG LEU A 28 88.760 -3.479 22.988 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.664 -2.639 24.265 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.196 -4.030 22.840 1.00 0.00 C ATOM 0 H LEU A 28 85.764 -4.080 21.314 1.00 0.00 H new ATOM 0 HA LEU A 28 88.460 -5.409 21.177 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.805 -4.264 23.482 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.115 -5.394 23.764 1.00 0.00 H new ATOM 0 HG LEU A 28 88.532 -2.867 22.115 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.378 -1.817 24.214 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.655 -2.238 24.362 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.890 -3.264 25.129 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.900 -3.200 22.778 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.439 -4.649 23.704 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.263 -4.631 21.933 1.00 0.00 H new ATOM 443 N PRO A 29 87.348 -7.701 21.468 1.00 0.00 N ATOM 444 CA PRO A 29 86.687 -9.025 21.655 1.00 0.00 C ATOM 445 C PRO A 29 86.167 -9.198 23.096 1.00 0.00 C ATOM 446 O PRO A 29 86.335 -8.325 23.924 1.00 0.00 O ATOM 447 CB PRO A 29 87.799 -10.036 21.348 1.00 0.00 C ATOM 448 CG PRO A 29 88.713 -9.326 20.401 1.00 0.00 C ATOM 449 CD PRO A 29 88.644 -7.838 20.767 1.00 0.00 C ATOM 0 HA PRO A 29 85.814 -9.147 21.015 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.324 -10.334 22.256 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.395 -10.944 20.901 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.733 -9.701 20.490 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.404 -9.487 19.368 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.477 -7.545 21.407 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.686 -7.206 19.880 1.00 0.00 H new ATOM 457 N PRO A 30 85.534 -10.308 23.398 1.00 0.00 N ATOM 458 CA PRO A 30 84.979 -10.568 24.766 1.00 0.00 C ATOM 459 C PRO A 30 86.063 -10.678 25.853 1.00 0.00 C ATOM 460 O PRO A 30 85.785 -10.522 27.026 1.00 0.00 O ATOM 461 CB PRO A 30 84.223 -11.911 24.618 1.00 0.00 C ATOM 462 CG PRO A 30 84.076 -12.130 23.143 1.00 0.00 C ATOM 463 CD PRO A 30 85.269 -11.437 22.490 1.00 0.00 C ATOM 0 HA PRO A 30 84.347 -9.742 25.092 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.778 -12.726 25.082 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.250 -11.869 25.107 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.066 -13.194 22.906 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.137 -11.714 22.779 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.129 -12.102 22.412 1.00 0.00 H new ATOM 0 HD3 PRO A 30 85.036 -11.097 21.481 1.00 0.00 H new ATOM 471 N VAL A 31 87.281 -10.969 25.487 1.00 0.00 N ATOM 472 CA VAL A 31 88.346 -11.114 26.523 1.00 0.00 C ATOM 473 C VAL A 31 88.464 -9.833 27.350 1.00 0.00 C ATOM 474 O VAL A 31 88.301 -9.838 28.554 1.00 0.00 O ATOM 475 CB VAL A 31 89.693 -11.391 25.844 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.827 -11.340 26.882 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.656 -12.778 25.199 1.00 0.00 C ATOM 0 H VAL A 31 87.585 -11.112 24.524 1.00 0.00 H new ATOM 0 HA VAL A 31 88.080 -11.943 27.178 1.00 0.00 H new ATOM 0 HB VAL A 31 89.874 -10.633 25.082 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.779 -11.538 26.390 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.855 -10.352 27.342 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.652 -12.094 27.650 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.612 -12.980 24.715 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.471 -13.531 25.965 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.859 -12.813 24.457 1.00 0.00 H new ATOM 487 N VAL A 32 88.774 -8.746 26.710 1.00 0.00 N ATOM 488 CA VAL A 32 88.939 -7.463 27.445 1.00 0.00 C ATOM 489 C VAL A 32 87.586 -6.956 27.951 1.00 0.00 C ATOM 490 O VAL A 32 87.479 -6.451 29.048 1.00 0.00 O ATOM 491 CB VAL A 32 89.546 -6.428 26.507 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.763 -5.116 27.259 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.883 -6.943 25.968 1.00 0.00 C ATOM 0 H VAL A 32 88.922 -8.689 25.702 1.00 0.00 H new ATOM 0 HA VAL A 32 89.594 -7.626 28.301 1.00 0.00 H new ATOM 0 HB VAL A 32 88.866 -6.255 25.673 1.00 0.00 H new ATOM 0 HG11 VAL A 32 90.197 -4.378 26.585 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.807 -4.748 27.632 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.439 -5.285 28.097 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.315 -6.201 25.297 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.565 -7.122 26.799 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.722 -7.874 25.424 1.00 0.00 H new ATOM 503 N ALA A 33 86.553 -7.070 27.160 1.00 0.00 N ATOM 504 CA ALA A 33 85.224 -6.570 27.612 1.00 0.00 C ATOM 505 C ALA A 33 84.810 -7.309 28.883 1.00 0.00 C ATOM 506 O ALA A 33 84.406 -6.708 29.859 1.00 0.00 O ATOM 507 CB ALA A 33 84.187 -6.804 26.511 1.00 0.00 C ATOM 0 H ALA A 33 86.571 -7.484 26.228 1.00 0.00 H new ATOM 0 HA ALA A 33 85.286 -5.502 27.821 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.215 -6.438 26.843 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.487 -6.271 25.609 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.119 -7.870 26.296 1.00 0.00 H new ATOM 513 N LYS A 34 84.921 -8.605 28.887 1.00 0.00 N ATOM 514 CA LYS A 34 84.550 -9.380 30.104 1.00 0.00 C ATOM 515 C LYS A 34 85.419 -8.931 31.279 1.00 0.00 C ATOM 516 O LYS A 34 84.960 -8.819 32.399 1.00 0.00 O ATOM 517 CB LYS A 34 84.784 -10.873 29.850 1.00 0.00 C ATOM 518 CG LYS A 34 83.758 -11.421 28.845 1.00 0.00 C ATOM 519 CD LYS A 34 82.418 -11.703 29.544 1.00 0.00 C ATOM 520 CE LYS A 34 81.510 -12.492 28.601 1.00 0.00 C ATOM 521 NZ LYS A 34 80.264 -12.878 29.322 1.00 0.00 N ATOM 0 H LYS A 34 85.253 -9.164 28.101 1.00 0.00 H new ATOM 0 HA LYS A 34 83.499 -9.206 30.336 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.793 -11.028 29.468 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.710 -11.422 30.788 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.610 -10.703 28.039 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.138 -12.336 28.391 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.585 -12.267 30.462 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.939 -10.766 29.828 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.265 -11.890 27.726 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.026 -13.382 28.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.645 -13.415 28.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.507 -13.467 30.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.770 -12.021 29.644 1.00 0.00 H new ATOM 535 N GLU A 35 86.676 -8.690 31.034 1.00 0.00 N ATOM 536 CA GLU A 35 87.592 -8.267 32.132 1.00 0.00 C ATOM 537 C GLU A 35 87.134 -6.937 32.728 1.00 0.00 C ATOM 538 O GLU A 35 87.168 -6.742 33.926 1.00 0.00 O ATOM 539 CB GLU A 35 89.003 -8.102 31.566 1.00 0.00 C ATOM 540 CG GLU A 35 89.999 -7.855 32.705 1.00 0.00 C ATOM 541 CD GLU A 35 89.934 -6.391 33.157 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.422 -5.576 32.408 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.403 -6.110 34.247 1.00 0.00 O ATOM 0 H GLU A 35 87.112 -8.768 30.115 1.00 0.00 H new ATOM 0 HA GLU A 35 87.583 -9.026 32.914 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.288 -8.995 31.010 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.027 -7.269 30.864 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.773 -8.513 33.544 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.009 -8.096 32.374 1.00 0.00 H new ATOM 550 N ILE A 36 86.701 -6.021 31.910 1.00 0.00 N ATOM 551 CA ILE A 36 86.243 -4.715 32.452 1.00 0.00 C ATOM 552 C ILE A 36 85.072 -4.978 33.397 1.00 0.00 C ATOM 553 O ILE A 36 84.979 -4.411 34.467 1.00 0.00 O ATOM 554 CB ILE A 36 85.820 -3.814 31.293 1.00 0.00 C ATOM 555 CG1 ILE A 36 87.052 -3.515 30.437 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.249 -2.505 31.835 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.627 -2.829 29.142 1.00 0.00 C ATOM 0 H ILE A 36 86.645 -6.119 30.896 1.00 0.00 H new ATOM 0 HA ILE A 36 87.041 -4.214 33.000 1.00 0.00 H new ATOM 0 HB ILE A 36 85.056 -4.313 30.696 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.743 -2.877 30.988 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.583 -4.440 30.212 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.949 -1.867 31.004 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.382 -2.718 32.460 1.00 0.00 H new ATOM 0 HG23 ILE A 36 86.008 -1.995 32.428 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.508 -2.618 28.536 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.953 -3.483 28.588 1.00 0.00 H new ATOM 0 HD13 ILE A 36 86.116 -1.895 29.376 1.00 0.00 H new ATOM 569 N VAL A 37 84.202 -5.872 33.022 1.00 0.00 N ATOM 570 CA VAL A 37 83.059 -6.226 33.908 1.00 0.00 C ATOM 571 C VAL A 37 83.622 -6.947 35.135 1.00 0.00 C ATOM 572 O VAL A 37 83.186 -6.748 36.251 1.00 0.00 O ATOM 573 CB VAL A 37 82.109 -7.160 33.151 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.068 -7.729 34.115 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.401 -6.377 32.041 1.00 0.00 C ATOM 0 H VAL A 37 84.233 -6.375 32.135 1.00 0.00 H new ATOM 0 HA VAL A 37 82.513 -5.333 34.212 1.00 0.00 H new ATOM 0 HB VAL A 37 82.681 -7.978 32.714 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.394 -8.393 33.573 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.570 -8.288 34.905 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.496 -6.913 34.556 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.725 -7.041 31.502 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.832 -5.558 32.480 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.142 -5.975 31.350 1.00 0.00 H new ATOM 585 N ALA A 38 84.593 -7.794 34.917 1.00 0.00 N ATOM 586 CA ALA A 38 85.211 -8.558 36.039 1.00 0.00 C ATOM 587 C ALA A 38 85.860 -7.598 37.045 1.00 0.00 C ATOM 588 O ALA A 38 86.132 -7.964 38.171 1.00 0.00 O ATOM 589 CB ALA A 38 86.276 -9.505 35.477 1.00 0.00 C ATOM 0 H ALA A 38 84.989 -7.991 33.998 1.00 0.00 H new ATOM 0 HA ALA A 38 84.436 -9.130 36.549 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.731 -10.066 36.293 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.813 -10.198 34.774 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.043 -8.926 34.963 1.00 0.00 H new ATOM 595 N SER A 39 86.128 -6.377 36.652 1.00 0.00 N ATOM 596 CA SER A 39 86.779 -5.416 37.596 1.00 0.00 C ATOM 597 C SER A 39 85.716 -4.575 38.304 1.00 0.00 C ATOM 598 O SER A 39 85.830 -4.277 39.476 1.00 0.00 O ATOM 599 CB SER A 39 87.712 -4.491 36.811 1.00 0.00 C ATOM 600 OG SER A 39 88.656 -5.277 36.093 1.00 0.00 O ATOM 0 H SER A 39 85.926 -6.006 35.724 1.00 0.00 H new ATOM 0 HA SER A 39 87.347 -5.975 38.339 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.136 -3.874 36.122 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.228 -3.813 37.491 1.00 0.00 H new ATOM 0 HG SER A 39 88.206 -5.731 35.350 1.00 0.00 H new ATOM 606 N CYS A 40 84.677 -4.199 37.613 1.00 0.00 N ATOM 607 CA CYS A 40 83.612 -3.389 38.268 1.00 0.00 C ATOM 608 C CYS A 40 83.029 -4.190 39.436 1.00 0.00 C ATOM 609 O CYS A 40 82.753 -5.364 39.310 1.00 0.00 O ATOM 610 CB CYS A 40 82.513 -3.071 37.253 1.00 0.00 C ATOM 611 SG CYS A 40 81.502 -1.704 37.868 1.00 0.00 S ATOM 0 H CYS A 40 84.519 -4.416 36.629 1.00 0.00 H new ATOM 0 HA CYS A 40 84.031 -2.454 38.639 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.956 -2.807 36.293 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.891 -3.951 37.086 1.00 0.00 H new ATOM 616 N ASP A 41 82.851 -3.570 40.571 1.00 0.00 N ATOM 617 CA ASP A 41 82.299 -4.308 41.745 1.00 0.00 C ATOM 618 C ASP A 41 80.780 -4.468 41.622 1.00 0.00 C ATOM 619 O ASP A 41 80.217 -5.444 42.079 1.00 0.00 O ATOM 620 CB ASP A 41 82.628 -3.541 43.029 1.00 0.00 C ATOM 621 CG ASP A 41 84.124 -3.665 43.332 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.740 -4.583 42.816 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.627 -2.841 44.077 1.00 0.00 O ATOM 0 H ASP A 41 83.063 -2.586 40.737 1.00 0.00 H new ATOM 0 HA ASP A 41 82.751 -5.299 41.777 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.355 -2.492 42.918 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.044 -3.936 43.860 1.00 0.00 H new ATOM 628 N LYS A 42 80.108 -3.521 41.029 1.00 0.00 N ATOM 629 CA LYS A 42 78.624 -3.635 40.906 1.00 0.00 C ATOM 630 C LYS A 42 78.264 -4.724 39.890 1.00 0.00 C ATOM 631 O LYS A 42 77.351 -5.499 40.098 1.00 0.00 O ATOM 632 CB LYS A 42 78.053 -2.295 40.431 1.00 0.00 C ATOM 633 CG LYS A 42 78.364 -1.190 41.451 1.00 0.00 C ATOM 634 CD LYS A 42 77.541 -1.390 42.734 1.00 0.00 C ATOM 635 CE LYS A 42 77.519 -0.086 43.536 1.00 0.00 C ATOM 636 NZ LYS A 42 76.821 -0.310 44.834 1.00 0.00 N ATOM 0 H LYS A 42 80.517 -2.678 40.626 1.00 0.00 H new ATOM 0 HA LYS A 42 78.203 -3.897 41.877 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.478 -2.034 39.462 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.975 -2.380 40.294 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.427 -1.197 41.690 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.141 -0.215 41.018 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.524 -1.692 42.483 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.972 -2.191 43.334 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.537 0.261 43.714 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.011 0.694 42.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.807 0.576 45.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.845 -0.622 44.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.324 -1.041 45.377 1.00 0.00 H new ATOM 650 N CYS A 43 78.971 -4.796 38.796 1.00 0.00 N ATOM 651 CA CYS A 43 78.661 -5.841 37.774 1.00 0.00 C ATOM 652 C CYS A 43 79.369 -7.146 38.140 1.00 0.00 C ATOM 653 O CYS A 43 79.343 -8.107 37.394 1.00 0.00 O ATOM 654 CB CYS A 43 79.111 -5.367 36.391 1.00 0.00 C ATOM 655 SG CYS A 43 78.415 -3.726 36.067 1.00 0.00 S ATOM 0 H CYS A 43 79.749 -4.179 38.564 1.00 0.00 H new ATOM 0 HA CYS A 43 77.585 -6.015 37.753 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.199 -5.329 36.343 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.782 -6.072 35.627 1.00 0.00 H new ATOM 660 N GLN A 44 80.004 -7.194 39.281 1.00 0.00 N ATOM 661 CA GLN A 44 80.711 -8.442 39.686 1.00 0.00 C ATOM 662 C GLN A 44 79.686 -9.459 40.188 1.00 0.00 C ATOM 663 O GLN A 44 79.418 -10.456 39.547 1.00 0.00 O ATOM 664 CB GLN A 44 81.701 -8.124 40.814 1.00 0.00 C ATOM 665 CG GLN A 44 82.542 -9.363 41.135 1.00 0.00 C ATOM 666 CD GLN A 44 83.449 -9.682 39.945 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.614 -10.830 39.582 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.046 -8.706 39.316 1.00 0.00 N ATOM 0 H GLN A 44 80.063 -6.425 39.948 1.00 0.00 H new ATOM 0 HA GLN A 44 81.250 -8.851 38.832 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.350 -7.300 40.518 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.160 -7.800 41.703 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.142 -9.188 42.028 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.893 -10.212 41.349 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.907 -7.743 39.621 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.651 -8.907 38.520 1.00 0.00 H new ATOM 677 N LEU A 45 79.104 -9.210 41.326 1.00 0.00 N ATOM 678 CA LEU A 45 78.090 -10.155 41.872 1.00 0.00 C ATOM 679 C LEU A 45 76.732 -9.844 41.233 1.00 0.00 C ATOM 680 O LEU A 45 76.426 -8.707 40.936 1.00 0.00 O ATOM 681 CB LEU A 45 78.005 -9.973 43.387 1.00 0.00 C ATOM 682 CG LEU A 45 79.404 -10.104 44.003 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.310 -9.882 45.513 1.00 0.00 C ATOM 684 CD2 LEU A 45 79.977 -11.504 43.724 1.00 0.00 C ATOM 0 H LEU A 45 79.287 -8.390 41.904 1.00 0.00 H new ATOM 0 HA LEU A 45 78.371 -11.184 41.648 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.584 -8.996 43.622 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.337 -10.720 43.816 1.00 0.00 H new ATOM 0 HG LEU A 45 80.063 -9.358 43.559 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.301 -9.974 45.957 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.915 -8.885 45.710 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.646 -10.628 45.950 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.970 -11.585 44.166 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.323 -12.259 44.161 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.045 -11.661 42.648 1.00 0.00 H new ATOM 696 N LYS A 46 75.920 -10.842 41.005 1.00 0.00 N ATOM 697 CA LYS A 46 74.592 -10.588 40.370 1.00 0.00 C ATOM 698 C LYS A 46 73.588 -10.106 41.419 1.00 0.00 C ATOM 699 O LYS A 46 73.223 -10.829 42.324 1.00 0.00 O ATOM 700 CB LYS A 46 74.080 -11.880 39.725 1.00 0.00 C ATOM 701 CG LYS A 46 72.728 -11.621 39.053 1.00 0.00 C ATOM 702 CD LYS A 46 72.270 -12.881 38.317 1.00 0.00 C ATOM 703 CE LYS A 46 70.901 -12.629 37.682 1.00 0.00 C ATOM 704 NZ LYS A 46 70.968 -11.409 36.830 1.00 0.00 N ATOM 0 H LYS A 46 76.117 -11.817 41.229 1.00 0.00 H new ATOM 0 HA LYS A 46 74.704 -9.817 39.608 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.799 -12.241 38.990 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.978 -12.659 40.480 1.00 0.00 H new ATOM 0 HG2 LYS A 46 71.988 -11.335 39.801 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.812 -10.789 38.353 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.995 -13.151 37.549 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.213 -13.720 39.010 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.602 -13.489 37.082 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.146 -12.503 38.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.203 -11.435 36.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.862 -10.563 37.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.886 -11.376 36.342 1.00 0.00 H new ATOM 718 N GLY A 47 73.127 -8.890 41.290 1.00 0.00 N ATOM 719 CA GLY A 47 72.132 -8.355 42.264 1.00 0.00 C ATOM 720 C GLY A 47 72.585 -8.654 43.691 1.00 0.00 C ATOM 721 O GLY A 47 73.738 -8.488 44.039 1.00 0.00 O ATOM 0 H GLY A 47 73.398 -8.243 40.550 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.019 -7.280 42.127 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.155 -8.804 42.082 1.00 0.00 H new ATOM 725 N GLU A 48 71.682 -9.096 44.521 1.00 0.00 N ATOM 726 CA GLU A 48 72.048 -9.413 45.929 1.00 0.00 C ATOM 727 C GLU A 48 72.700 -10.797 45.977 1.00 0.00 C ATOM 728 O GLU A 48 72.525 -11.605 45.086 1.00 0.00 O ATOM 729 CB GLU A 48 70.786 -9.400 46.795 1.00 0.00 C ATOM 730 CG GLU A 48 71.176 -9.489 48.272 1.00 0.00 C ATOM 731 CD GLU A 48 69.922 -9.365 49.139 1.00 0.00 C ATOM 732 OE1 GLU A 48 68.878 -9.040 48.595 1.00 0.00 O ATOM 733 OE2 GLU A 48 70.026 -9.595 50.333 1.00 0.00 O ATOM 0 H GLU A 48 70.702 -9.252 44.283 1.00 0.00 H new ATOM 0 HA GLU A 48 72.749 -8.670 46.308 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.217 -8.488 46.613 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.141 -10.237 46.528 1.00 0.00 H new ATOM 0 HG2 GLU A 48 71.676 -10.437 48.471 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.883 -8.697 48.521 1.00 0.00 H new ATOM 740 N ALA A 49 73.458 -11.075 47.001 1.00 0.00 N ATOM 741 CA ALA A 49 74.126 -12.404 47.090 1.00 0.00 C ATOM 742 C ALA A 49 73.079 -13.496 47.323 1.00 0.00 C ATOM 743 O ALA A 49 72.341 -13.855 46.426 1.00 0.00 O ATOM 744 CB ALA A 49 75.121 -12.392 48.255 1.00 0.00 C ATOM 0 H ALA A 49 73.644 -10.441 47.778 1.00 0.00 H new ATOM 0 HA ALA A 49 74.654 -12.608 46.158 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.612 -13.363 48.324 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.869 -11.618 48.086 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.590 -12.187 49.185 1.00 0.00 H new ATOM 750 N MET A 50 73.014 -14.027 48.519 1.00 0.00 N ATOM 751 CA MET A 50 72.023 -15.107 48.837 1.00 0.00 C ATOM 752 C MET A 50 71.900 -16.086 47.661 1.00 0.00 C ATOM 753 O MET A 50 70.818 -16.411 47.216 1.00 0.00 O ATOM 754 CB MET A 50 70.648 -14.500 49.181 1.00 0.00 C ATOM 755 CG MET A 50 70.101 -13.653 48.022 1.00 0.00 C ATOM 756 SD MET A 50 68.391 -13.186 48.390 1.00 0.00 S ATOM 757 CE MET A 50 67.856 -12.893 46.687 1.00 0.00 C ATOM 0 H MET A 50 73.612 -13.756 49.299 1.00 0.00 H new ATOM 0 HA MET A 50 72.382 -15.656 49.708 1.00 0.00 H new ATOM 0 HB2 MET A 50 69.944 -15.299 49.413 1.00 0.00 H new ATOM 0 HB3 MET A 50 70.735 -13.882 50.075 1.00 0.00 H new ATOM 0 HG2 MET A 50 70.714 -12.762 47.885 1.00 0.00 H new ATOM 0 HG3 MET A 50 70.145 -14.217 47.090 1.00 0.00 H new ATOM 0 HE1 MET A 50 66.809 -12.589 46.682 1.00 0.00 H new ATOM 0 HE2 MET A 50 68.465 -12.105 46.245 1.00 0.00 H new ATOM 0 HE3 MET A 50 67.970 -13.809 46.107 1.00 0.00 H new ATOM 767 N HIS A 51 73.007 -16.569 47.162 1.00 0.00 N ATOM 768 CA HIS A 51 72.955 -17.526 46.020 1.00 0.00 C ATOM 769 C HIS A 51 72.628 -18.924 46.544 1.00 0.00 C ATOM 770 O HIS A 51 72.275 -19.813 45.794 1.00 0.00 O ATOM 771 CB HIS A 51 74.310 -17.549 45.311 1.00 0.00 C ATOM 772 CG HIS A 51 74.585 -16.192 44.723 1.00 0.00 C ATOM 773 ND1 HIS A 51 73.909 -15.719 43.607 1.00 0.00 N ATOM 774 CD2 HIS A 51 75.453 -15.190 45.088 1.00 0.00 C ATOM 775 CE1 HIS A 51 74.374 -14.484 43.342 1.00 0.00 C ATOM 776 NE2 HIS A 51 75.315 -14.117 44.214 1.00 0.00 N ATOM 0 H HIS A 51 73.944 -16.342 47.496 1.00 0.00 H new ATOM 0 HA HIS A 51 72.184 -17.212 45.316 1.00 0.00 H new ATOM 0 HB2 HIS A 51 75.097 -17.820 46.015 1.00 0.00 H new ATOM 0 HB3 HIS A 51 74.310 -18.305 44.526 1.00 0.00 H new ATOM 0 HD2 HIS A 51 76.136 -15.230 45.924 1.00 0.00 H new ATOM 0 HE1 HIS A 51 74.029 -13.867 42.526 1.00 0.00 H new ATOM 0 HE2 HIS A 51 75.826 -13.234 44.235 1.00 0.00 H new ATOM 785 N GLY A 52 72.732 -19.126 47.828 1.00 0.00 N ATOM 786 CA GLY A 52 72.416 -20.466 48.395 1.00 0.00 C ATOM 787 C GLY A 52 71.029 -20.898 47.917 1.00 0.00 C ATOM 788 O GLY A 52 70.240 -20.091 47.468 1.00 0.00 O ATOM 0 H GLY A 52 73.021 -18.423 48.508 1.00 0.00 H new ATOM 0 HA2 GLY A 52 73.165 -21.193 48.081 1.00 0.00 H new ATOM 0 HA3 GLY A 52 72.444 -20.429 49.484 1.00 0.00 H new ATOM 792 N GLN A 53 70.725 -22.166 48.008 1.00 0.00 N ATOM 793 CA GLN A 53 69.387 -22.658 47.554 1.00 0.00 C ATOM 794 C GLN A 53 68.987 -23.886 48.374 1.00 0.00 C ATOM 795 O GLN A 53 67.828 -24.246 48.444 1.00 0.00 O ATOM 796 CB GLN A 53 69.461 -23.063 46.075 1.00 0.00 C ATOM 797 CG GLN A 53 69.477 -21.821 45.181 1.00 0.00 C ATOM 798 CD GLN A 53 69.551 -22.263 43.718 1.00 0.00 C ATOM 799 OE1 GLN A 53 69.873 -23.499 43.438 1.00 0.00 O flip ATOM 800 NE2 GLN A 53 69.310 -21.481 42.820 1.00 0.00 N flip ATOM 0 H GLN A 53 71.346 -22.885 48.378 1.00 0.00 H new ATOM 0 HA GLN A 53 68.653 -21.863 47.688 1.00 0.00 H new ATOM 0 HB2 GLN A 53 70.358 -23.657 45.899 1.00 0.00 H new ATOM 0 HB3 GLN A 53 68.607 -23.691 45.820 1.00 0.00 H new ATOM 0 HG2 GLN A 53 68.581 -21.224 45.349 1.00 0.00 H new ATOM 0 HG3 GLN A 53 70.331 -21.190 45.428 1.00 0.00 H new ATOM 0 HE21 GLN A 53 69.059 -20.517 43.037 1.00 0.00 H new ATOM 0 HE22 GLN A 53 69.359 -21.789 41.849 1.00 0.00 H new ATOM 809 N VAL A 54 69.937 -24.539 48.985 1.00 0.00 N ATOM 810 CA VAL A 54 69.620 -25.757 49.790 1.00 0.00 C ATOM 811 C VAL A 54 69.479 -25.385 51.268 1.00 0.00 C ATOM 812 O VAL A 54 70.200 -24.554 51.784 1.00 0.00 O ATOM 813 CB VAL A 54 70.748 -26.770 49.616 1.00 0.00 C ATOM 814 CG1 VAL A 54 70.968 -27.027 48.123 1.00 0.00 C ATOM 815 CG2 VAL A 54 72.034 -26.214 50.231 1.00 0.00 C ATOM 0 H VAL A 54 70.924 -24.282 48.962 1.00 0.00 H new ATOM 0 HA VAL A 54 68.680 -26.189 49.448 1.00 0.00 H new ATOM 0 HB VAL A 54 70.482 -27.702 50.114 1.00 0.00 H new ATOM 0 HG11 VAL A 54 71.773 -27.750 47.993 1.00 0.00 H new ATOM 0 HG12 VAL A 54 70.052 -27.421 47.683 1.00 0.00 H new ATOM 0 HG13 VAL A 54 71.236 -26.093 47.629 1.00 0.00 H new ATOM 0 HG21 VAL A 54 72.839 -26.938 50.107 1.00 0.00 H new ATOM 0 HG22 VAL A 54 72.303 -25.283 49.732 1.00 0.00 H new ATOM 0 HG23 VAL A 54 71.877 -26.025 51.293 1.00 0.00 H new ATOM 825 N ASP A 55 68.545 -25.996 51.951 1.00 0.00 N ATOM 826 CA ASP A 55 68.336 -25.689 53.397 1.00 0.00 C ATOM 827 C ASP A 55 67.879 -26.957 54.120 1.00 0.00 C ATOM 828 O ASP A 55 66.934 -27.573 53.654 1.00 0.00 O ATOM 829 CB ASP A 55 67.258 -24.612 53.536 1.00 0.00 C ATOM 830 CG ASP A 55 67.113 -24.216 55.007 1.00 0.00 C ATOM 831 OD1 ASP A 55 67.548 -24.980 55.852 1.00 0.00 O ATOM 832 OD2 ASP A 55 66.568 -23.154 55.263 1.00 0.00 O ATOM 833 OXT ASP A 55 68.482 -27.292 55.126 1.00 0.00 O ATOM 0 H ASP A 55 67.914 -26.699 51.566 1.00 0.00 H new ATOM 0 HA ASP A 55 69.268 -25.332 53.834 1.00 0.00 H new ATOM 0 HB2 ASP A 55 67.523 -23.739 52.939 1.00 0.00 H new ATOM 0 HB3 ASP A 55 66.307 -24.984 53.154 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.048 -12.115 23.585 1.00 0.00 N ATOM 840 CA PHE B 1 95.188 -13.020 22.769 1.00 0.00 C ATOM 841 C PHE B 1 96.004 -14.224 22.314 1.00 0.00 C ATOM 842 O PHE B 1 96.169 -14.471 21.137 1.00 0.00 O ATOM 843 CB PHE B 1 94.685 -12.282 21.538 1.00 0.00 C ATOM 844 CG PHE B 1 93.820 -11.115 21.951 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.472 -11.327 22.262 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.358 -9.822 22.015 1.00 0.00 C ATOM 847 CE1 PHE B 1 91.662 -10.249 22.638 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.545 -8.742 22.390 1.00 0.00 C ATOM 849 CZ PHE B 1 92.198 -8.957 22.701 1.00 0.00 C ATOM 0 H1 PHE B 1 95.812 -11.125 23.370 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.884 -12.298 24.596 1.00 0.00 H new ATOM 0 H3 PHE B 1 97.048 -12.290 23.359 1.00 0.00 H new ATOM 0 HA PHE B 1 94.343 -13.347 23.375 1.00 0.00 H new ATOM 0 HB2 PHE B 1 95.529 -11.928 20.946 1.00 0.00 H new ATOM 0 HB3 PHE B 1 94.115 -12.961 20.905 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.057 -12.323 22.212 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.398 -9.657 21.776 1.00 0.00 H new ATOM 0 HE1 PHE B 1 90.622 -10.414 22.880 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.959 -7.745 22.439 1.00 0.00 H new ATOM 0 HZ PHE B 1 91.571 -8.126 22.990 1.00 0.00 H new ATOM 861 N LEU B 2 96.518 -14.967 23.243 1.00 0.00 N ATOM 862 CA LEU B 2 97.339 -16.166 22.898 1.00 0.00 C ATOM 863 C LEU B 2 96.501 -17.430 23.014 1.00 0.00 C ATOM 864 O LEU B 2 95.690 -17.569 23.896 1.00 0.00 O ATOM 865 CB LEU B 2 98.531 -16.260 23.854 1.00 0.00 C ATOM 866 CG LEU B 2 99.399 -15.001 23.735 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.520 -15.068 24.777 1.00 0.00 C ATOM 868 CD2 LEU B 2 100.007 -14.907 22.322 1.00 0.00 C ATOM 0 H LEU B 2 96.407 -14.798 24.243 1.00 0.00 H new ATOM 0 HA LEU B 2 97.694 -16.067 21.872 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.178 -16.373 24.879 1.00 0.00 H new ATOM 0 HB3 LEU B 2 99.125 -17.144 23.622 1.00 0.00 H new ATOM 0 HG LEU B 2 98.784 -14.118 23.910 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.142 -14.177 24.700 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.086 -15.122 25.775 1.00 0.00 H new ATOM 0 HD13 LEU B 2 101.130 -15.953 24.598 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.621 -14.009 22.249 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.624 -15.785 22.132 1.00 0.00 H new ATOM 0 HD23 LEU B 2 99.206 -14.860 21.584 1.00 0.00 H new ATOM 880 N ASP B 3 96.707 -18.363 22.132 1.00 0.00 N ATOM 881 CA ASP B 3 95.936 -19.628 22.205 1.00 0.00 C ATOM 882 C ASP B 3 96.232 -20.279 23.551 1.00 0.00 C ATOM 883 O ASP B 3 95.356 -20.810 24.204 1.00 0.00 O ATOM 884 CB ASP B 3 96.352 -20.556 21.062 1.00 0.00 C ATOM 885 CG ASP B 3 95.849 -19.982 19.737 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.855 -19.273 19.761 1.00 0.00 O ATOM 887 OD2 ASP B 3 96.460 -20.263 18.719 1.00 0.00 O ATOM 0 H ASP B 3 97.376 -18.304 21.364 1.00 0.00 H new ATOM 0 HA ASP B 3 94.868 -19.432 22.111 1.00 0.00 H new ATOM 0 HB2 ASP B 3 97.437 -20.659 21.038 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.940 -21.553 21.219 1.00 0.00 H new ATOM 892 N GLY B 4 97.464 -20.220 23.985 1.00 0.00 N ATOM 893 CA GLY B 4 97.822 -20.810 25.308 1.00 0.00 C ATOM 894 C GLY B 4 96.794 -20.356 26.349 1.00 0.00 C ATOM 895 O GLY B 4 96.676 -20.931 27.413 1.00 0.00 O ATOM 0 H GLY B 4 98.238 -19.788 23.480 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.838 -21.898 25.244 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.822 -20.494 25.603 1.00 0.00 H new ATOM 899 N ILE B 5 96.032 -19.339 26.034 1.00 0.00 N ATOM 900 CA ILE B 5 94.994 -18.864 26.988 1.00 0.00 C ATOM 901 C ILE B 5 94.018 -20.012 27.247 1.00 0.00 C ATOM 902 O ILE B 5 93.587 -20.239 28.360 1.00 0.00 O ATOM 903 CB ILE B 5 94.254 -17.657 26.386 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.175 -16.434 26.402 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.988 -17.358 27.200 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.561 -15.319 25.548 1.00 0.00 C ATOM 0 H ILE B 5 96.087 -18.820 25.158 1.00 0.00 H new ATOM 0 HA ILE B 5 95.453 -18.553 27.927 1.00 0.00 H new ATOM 0 HB ILE B 5 93.970 -17.887 25.359 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.317 -16.086 27.425 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.159 -16.702 26.017 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.471 -16.502 26.767 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.330 -18.227 27.182 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.263 -17.132 28.230 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.217 -14.449 25.560 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.442 -15.670 24.523 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.587 -15.045 25.953 1.00 0.00 H new ATOM 918 N ASP B 6 93.683 -20.749 26.224 1.00 0.00 N ATOM 919 CA ASP B 6 92.754 -21.898 26.406 1.00 0.00 C ATOM 920 C ASP B 6 93.398 -22.915 27.348 1.00 0.00 C ATOM 921 O ASP B 6 92.748 -23.494 28.196 1.00 0.00 O ATOM 922 CB ASP B 6 92.492 -22.560 25.048 1.00 0.00 C ATOM 923 CG ASP B 6 91.644 -21.631 24.179 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.964 -20.787 24.737 1.00 0.00 O ATOM 925 OD2 ASP B 6 91.685 -21.785 22.969 1.00 0.00 O ATOM 0 H ASP B 6 94.013 -20.605 25.270 1.00 0.00 H new ATOM 0 HA ASP B 6 91.812 -21.548 26.828 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.437 -22.778 24.550 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.979 -23.511 25.189 1.00 0.00 H new ATOM 930 N LYS B 7 94.675 -23.131 27.205 1.00 0.00 N ATOM 931 CA LYS B 7 95.375 -24.107 28.086 1.00 0.00 C ATOM 932 C LYS B 7 95.402 -23.566 29.511 1.00 0.00 C ATOM 933 O LYS B 7 95.299 -24.304 30.470 1.00 0.00 O ATOM 934 CB LYS B 7 96.806 -24.307 27.589 1.00 0.00 C ATOM 935 CG LYS B 7 96.770 -25.046 26.254 1.00 0.00 C ATOM 936 CD LYS B 7 98.192 -25.257 25.735 1.00 0.00 C ATOM 937 CE LYS B 7 98.132 -25.999 24.398 1.00 0.00 C ATOM 938 NZ LYS B 7 99.498 -26.086 23.814 1.00 0.00 N ATOM 0 H LYS B 7 95.267 -22.672 26.513 1.00 0.00 H new ATOM 0 HA LYS B 7 94.849 -25.062 28.066 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.302 -23.343 27.473 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.382 -24.876 28.319 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.272 -26.008 26.375 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.190 -24.475 25.529 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.693 -24.297 25.610 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.775 -25.829 26.457 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.723 -26.999 24.543 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.464 -25.479 23.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.456 -26.590 22.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.872 -25.128 23.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.123 -26.601 24.467 1.00 0.00 H new ATOM 952 N ALA B 8 95.540 -22.282 29.656 1.00 0.00 N ATOM 953 CA ALA B 8 95.575 -21.691 31.016 1.00 0.00 C ATOM 954 C ALA B 8 94.267 -22.017 31.743 1.00 0.00 C ATOM 955 O ALA B 8 94.255 -22.260 32.933 1.00 0.00 O ATOM 956 CB ALA B 8 95.743 -20.178 30.905 1.00 0.00 C ATOM 0 H ALA B 8 95.630 -21.615 28.889 1.00 0.00 H new ATOM 0 HA ALA B 8 96.412 -22.105 31.578 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.769 -19.741 31.903 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.674 -19.952 30.386 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.906 -19.759 30.347 1.00 0.00 H new ATOM 962 N GLN B 9 93.165 -22.038 31.040 1.00 0.00 N ATOM 963 CA GLN B 9 91.870 -22.366 31.705 1.00 0.00 C ATOM 964 C GLN B 9 91.957 -23.767 32.316 1.00 0.00 C ATOM 965 O GLN B 9 91.528 -24.002 33.428 1.00 0.00 O ATOM 966 CB GLN B 9 90.742 -22.336 30.670 1.00 0.00 C ATOM 967 CG GLN B 9 90.481 -20.896 30.225 1.00 0.00 C ATOM 968 CD GLN B 9 89.501 -20.893 29.050 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.449 -21.835 28.285 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.714 -19.867 28.877 1.00 0.00 N ATOM 0 H GLN B 9 93.106 -21.844 30.040 1.00 0.00 H new ATOM 0 HA GLN B 9 91.667 -21.635 32.487 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.010 -22.949 29.809 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.835 -22.764 31.096 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.073 -20.317 31.053 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.417 -20.419 29.933 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.758 -19.076 29.520 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.055 -19.856 28.099 1.00 0.00 H new ATOM 979 N GLU B 10 92.519 -24.694 31.595 1.00 0.00 N ATOM 980 CA GLU B 10 92.654 -26.084 32.116 1.00 0.00 C ATOM 981 C GLU B 10 93.523 -26.092 33.377 1.00 0.00 C ATOM 982 O GLU B 10 93.265 -26.816 34.319 1.00 0.00 O ATOM 983 CB GLU B 10 93.302 -26.962 31.044 1.00 0.00 C ATOM 984 CG GLU B 10 92.320 -27.171 29.890 1.00 0.00 C ATOM 985 CD GLU B 10 92.973 -28.050 28.821 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.166 -28.285 28.925 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.273 -28.472 27.917 1.00 0.00 O ATOM 0 H GLU B 10 92.895 -24.548 30.658 1.00 0.00 H new ATOM 0 HA GLU B 10 91.666 -26.472 32.365 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.215 -26.492 30.678 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.587 -27.924 31.471 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.407 -27.641 30.255 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.035 -26.210 29.462 1.00 0.00 H new ATOM 994 N GLU B 11 94.572 -25.312 33.389 1.00 0.00 N ATOM 995 CA GLU B 11 95.487 -25.288 34.571 1.00 0.00 C ATOM 996 C GLU B 11 95.065 -24.193 35.556 1.00 0.00 C ATOM 997 O GLU B 11 95.695 -23.995 36.576 1.00 0.00 O ATOM 998 CB GLU B 11 96.910 -25.004 34.087 1.00 0.00 C ATOM 999 CG GLU B 11 97.360 -26.122 33.146 1.00 0.00 C ATOM 1000 CD GLU B 11 98.782 -25.839 32.661 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.269 -24.751 32.917 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.358 -26.714 32.034 1.00 0.00 O ATOM 0 H GLU B 11 94.836 -24.687 32.628 1.00 0.00 H new ATOM 0 HA GLU B 11 95.440 -26.252 35.077 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.946 -24.044 33.572 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.588 -24.935 34.938 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.324 -27.082 33.661 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.681 -26.191 32.296 1.00 0.00 H new ATOM 1009 N CYS B 12 94.012 -23.477 35.270 1.00 0.00 N ATOM 1010 CA CYS B 12 93.574 -22.400 36.209 1.00 0.00 C ATOM 1011 C CYS B 12 93.513 -22.960 37.632 1.00 0.00 C ATOM 1012 O CYS B 12 93.968 -22.345 38.575 1.00 0.00 O ATOM 1013 CB CYS B 12 92.186 -21.903 35.805 1.00 0.00 C ATOM 1014 SG CYS B 12 91.659 -20.596 36.942 1.00 0.00 S ATOM 0 H CYS B 12 93.438 -23.588 34.434 1.00 0.00 H new ATOM 0 HA CYS B 12 94.284 -21.574 36.169 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.207 -21.524 34.783 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.473 -22.727 35.825 1.00 0.00 H new ATOM 1019 N GLU B 13 92.954 -24.126 37.789 1.00 0.00 N ATOM 1020 CA GLU B 13 92.858 -24.741 39.141 1.00 0.00 C ATOM 1021 C GLU B 13 94.266 -24.933 39.717 1.00 0.00 C ATOM 1022 O GLU B 13 94.498 -24.746 40.895 1.00 0.00 O ATOM 1023 CB GLU B 13 92.149 -26.094 39.028 1.00 0.00 C ATOM 1024 CG GLU B 13 92.022 -26.728 40.414 1.00 0.00 C ATOM 1025 CD GLU B 13 91.109 -27.955 40.329 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.622 -28.232 39.247 1.00 0.00 O ATOM 1027 OE2 GLU B 13 90.913 -28.594 41.349 1.00 0.00 O ATOM 0 H GLU B 13 92.556 -24.684 37.033 1.00 0.00 H new ATOM 0 HA GLU B 13 92.289 -24.090 39.805 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.161 -25.962 38.586 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.709 -26.754 38.366 1.00 0.00 H new ATOM 0 HG2 GLU B 13 93.005 -27.017 40.785 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.614 -26.005 41.121 1.00 0.00 H new ATOM 1034 N LYS B 14 95.203 -25.319 38.894 1.00 0.00 N ATOM 1035 CA LYS B 14 96.595 -25.540 39.385 1.00 0.00 C ATOM 1036 C LYS B 14 97.189 -24.232 39.923 1.00 0.00 C ATOM 1037 O LYS B 14 97.905 -24.230 40.904 1.00 0.00 O ATOM 1038 CB LYS B 14 97.467 -26.061 38.239 1.00 0.00 C ATOM 1039 CG LYS B 14 98.821 -26.509 38.797 1.00 0.00 C ATOM 1040 CD LYS B 14 99.700 -27.032 37.658 1.00 0.00 C ATOM 1041 CE LYS B 14 100.919 -27.747 38.246 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.740 -28.326 37.146 1.00 0.00 N ATOM 0 H LYS B 14 95.064 -25.492 37.898 1.00 0.00 H new ATOM 0 HA LYS B 14 96.568 -26.273 40.191 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.972 -26.895 37.740 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.609 -25.281 37.491 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.314 -25.675 39.296 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.677 -27.288 39.546 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.131 -27.717 37.029 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.020 -26.207 37.022 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.517 -27.047 38.829 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.597 -28.535 38.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.567 -28.811 37.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.168 -29.007 36.607 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.059 -27.565 36.513 1.00 0.00 H new ATOM 1056 N TYR B 15 96.917 -23.121 39.289 1.00 0.00 N ATOM 1057 CA TYR B 15 97.495 -21.830 39.775 1.00 0.00 C ATOM 1058 C TYR B 15 96.633 -21.262 40.904 1.00 0.00 C ATOM 1059 O TYR B 15 97.023 -20.332 41.580 1.00 0.00 O ATOM 1060 CB TYR B 15 97.538 -20.816 38.629 1.00 0.00 C ATOM 1061 CG TYR B 15 98.556 -21.247 37.602 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.917 -20.989 37.813 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.142 -21.906 36.438 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.861 -21.387 36.860 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.086 -22.304 35.485 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.445 -22.045 35.696 1.00 0.00 C ATOM 1067 OH TYR B 15 101.376 -22.438 34.756 1.00 0.00 O ATOM 0 H TYR B 15 96.324 -23.050 38.462 1.00 0.00 H new ATOM 0 HA TYR B 15 98.504 -22.017 40.142 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.554 -20.734 38.167 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.792 -19.829 39.014 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.237 -20.483 38.712 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.093 -22.107 36.276 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.910 -21.187 37.022 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.766 -22.811 34.587 1.00 0.00 H new ATOM 0 HH TYR B 15 102.137 -21.821 34.772 1.00 0.00 H new ATOM 1077 N HIS B 16 95.470 -21.812 41.114 1.00 0.00 N ATOM 1078 CA HIS B 16 94.590 -21.301 42.203 1.00 0.00 C ATOM 1079 C HIS B 16 94.277 -19.822 41.961 1.00 0.00 C ATOM 1080 O HIS B 16 93.999 -19.408 40.854 1.00 0.00 O ATOM 1081 CB HIS B 16 95.285 -21.460 43.559 1.00 0.00 C ATOM 1082 CG HIS B 16 95.890 -22.834 43.661 1.00 0.00 C ATOM 1083 ND1 HIS B 16 97.231 -23.075 43.395 1.00 0.00 N ATOM 1084 CD2 HIS B 16 95.350 -24.050 44.003 1.00 0.00 C ATOM 1085 CE1 HIS B 16 97.450 -24.390 43.582 1.00 0.00 C ATOM 1086 NE2 HIS B 16 96.337 -25.026 43.953 1.00 0.00 N ATOM 0 H HIS B 16 95.090 -22.593 40.579 1.00 0.00 H new ATOM 0 HA HIS B 16 93.663 -21.874 42.207 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.060 -20.702 43.673 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.568 -21.307 44.366 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.317 -24.221 44.270 1.00 0.00 H new ATOM 0 HE1 HIS B 16 98.408 -24.871 43.448 1.00 0.00 H new ATOM 0 HE2 HIS B 16 96.233 -26.020 44.157 1.00 0.00 H new ATOM 1095 N SER B 17 94.313 -19.027 42.997 1.00 0.00 N ATOM 1096 CA SER B 17 94.011 -17.572 42.849 1.00 0.00 C ATOM 1097 C SER B 17 95.285 -16.803 42.480 1.00 0.00 C ATOM 1098 O SER B 17 95.269 -15.595 42.341 1.00 0.00 O ATOM 1099 CB SER B 17 93.453 -17.041 44.170 1.00 0.00 C ATOM 1100 OG SER B 17 92.117 -17.498 44.332 1.00 0.00 O ATOM 0 H SER B 17 94.540 -19.324 43.946 1.00 0.00 H new ATOM 0 HA SER B 17 93.277 -17.434 42.055 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.070 -17.382 45.002 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.481 -15.951 44.178 1.00 0.00 H new ATOM 0 HG SER B 17 91.756 -17.161 45.179 1.00 0.00 H new ATOM 1106 N ASN B 18 96.390 -17.484 42.328 1.00 0.00 N ATOM 1107 CA ASN B 18 97.656 -16.775 41.974 1.00 0.00 C ATOM 1108 C ASN B 18 97.701 -16.534 40.463 1.00 0.00 C ATOM 1109 O ASN B 18 98.406 -17.207 39.738 1.00 0.00 O ATOM 1110 CB ASN B 18 98.857 -17.636 42.378 1.00 0.00 C ATOM 1111 CG ASN B 18 98.968 -17.685 43.902 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.430 -16.841 44.591 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.667 -18.635 44.461 1.00 0.00 N ATOM 0 H ASN B 18 96.472 -18.495 42.433 1.00 0.00 H new ATOM 0 HA ASN B 18 97.693 -15.822 42.501 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.744 -18.644 41.980 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.771 -17.225 41.950 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.762 -18.669 45.476 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.119 -19.344 43.883 1.00 0.00 H new ATOM 1120 N TRP B 19 96.956 -15.578 39.981 1.00 0.00 N ATOM 1121 CA TRP B 19 96.963 -15.296 38.519 1.00 0.00 C ATOM 1122 C TRP B 19 98.305 -14.681 38.115 1.00 0.00 C ATOM 1123 O TRP B 19 98.728 -14.781 36.979 1.00 0.00 O ATOM 1124 CB TRP B 19 95.827 -14.329 38.179 1.00 0.00 C ATOM 1125 CG TRP B 19 96.005 -13.050 38.933 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.510 -12.804 40.168 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.706 -11.839 38.525 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.860 -11.521 40.542 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.598 -10.886 39.565 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.419 -11.478 37.367 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.175 -9.619 39.460 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.001 -10.204 37.258 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.878 -9.277 38.303 1.00 0.00 C ATOM 0 H TRP B 19 96.343 -14.981 40.536 1.00 0.00 H new ATOM 0 HA TRP B 19 96.820 -16.228 37.972 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.815 -14.131 37.107 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.867 -14.779 38.431 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.935 -13.497 40.764 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.604 -11.095 41.433 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.520 -12.185 36.557 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.078 -8.909 40.268 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.546 -9.937 36.365 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.327 -8.299 38.213 1.00 0.00 H new ATOM 1144 N ARG B 20 98.971 -14.036 39.031 1.00 0.00 N ATOM 1145 CA ARG B 20 100.280 -13.406 38.701 1.00 0.00 C ATOM 1146 C ARG B 20 101.262 -14.476 38.225 1.00 0.00 C ATOM 1147 O ARG B 20 102.015 -14.274 37.292 1.00 0.00 O ATOM 1148 CB ARG B 20 100.830 -12.736 39.957 1.00 0.00 C ATOM 1149 CG ARG B 20 99.965 -11.521 40.291 1.00 0.00 C ATOM 1150 CD ARG B 20 100.485 -10.851 41.563 1.00 0.00 C ATOM 1151 NE ARG B 20 99.608 -9.694 41.900 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.663 -9.156 43.088 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.481 -9.635 43.983 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.897 -8.140 43.381 1.00 0.00 N ATOM 0 H ARG B 20 98.665 -13.917 39.997 1.00 0.00 H new ATOM 0 HA ARG B 20 100.146 -12.668 37.910 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.830 -13.439 40.790 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.864 -12.430 39.799 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.981 -10.813 39.463 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.928 -11.828 40.428 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.497 -11.566 42.386 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.512 -10.515 41.418 1.00 0.00 H new ATOM 0 HE ARG B 20 98.964 -9.322 41.202 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.078 -10.430 43.755 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.524 -9.215 44.911 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.255 -7.767 42.681 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.940 -7.720 44.309 1.00 0.00 H new ATOM 1168 N ALA B 21 101.258 -15.615 38.857 1.00 0.00 N ATOM 1169 CA ALA B 21 102.190 -16.695 38.436 1.00 0.00 C ATOM 1170 C ALA B 21 101.795 -17.176 37.040 1.00 0.00 C ATOM 1171 O ALA B 21 102.628 -17.360 36.175 1.00 0.00 O ATOM 1172 CB ALA B 21 102.098 -17.863 39.425 1.00 0.00 C ATOM 0 H ALA B 21 100.652 -15.844 39.644 1.00 0.00 H new ATOM 0 HA ALA B 21 103.212 -16.316 38.420 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.781 -18.655 39.117 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.369 -17.517 40.423 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.078 -18.248 39.439 1.00 0.00 H new ATOM 1178 N MET B 22 100.527 -17.374 36.816 1.00 0.00 N ATOM 1179 CA MET B 22 100.065 -17.837 35.479 1.00 0.00 C ATOM 1180 C MET B 22 100.413 -16.789 34.419 1.00 0.00 C ATOM 1181 O MET B 22 100.850 -17.111 33.333 1.00 0.00 O ATOM 1182 CB MET B 22 98.552 -18.045 35.519 1.00 0.00 C ATOM 1183 CG MET B 22 98.064 -18.540 34.162 1.00 0.00 C ATOM 1184 SD MET B 22 96.316 -18.987 34.290 1.00 0.00 S ATOM 1185 CE MET B 22 95.684 -17.338 34.683 1.00 0.00 C ATOM 0 H MET B 22 99.787 -17.234 37.504 1.00 0.00 H new ATOM 0 HA MET B 22 100.559 -18.775 35.226 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.295 -18.767 36.294 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.054 -17.110 35.776 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.200 -17.765 33.408 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.650 -19.402 33.843 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.640 -17.267 34.379 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.762 -17.165 35.756 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.269 -16.588 34.151 1.00 0.00 H new ATOM 1195 N ALA B 23 100.227 -15.536 34.726 1.00 0.00 N ATOM 1196 CA ALA B 23 100.550 -14.471 33.735 1.00 0.00 C ATOM 1197 C ALA B 23 102.025 -14.577 33.347 1.00 0.00 C ATOM 1198 O ALA B 23 102.392 -14.407 32.201 1.00 0.00 O ATOM 1199 CB ALA B 23 100.279 -13.097 34.355 1.00 0.00 C ATOM 0 H ALA B 23 99.865 -15.203 35.620 1.00 0.00 H new ATOM 0 HA ALA B 23 99.929 -14.594 32.848 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.515 -12.318 33.630 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.228 -13.025 34.635 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.901 -12.969 35.241 1.00 0.00 H new ATOM 1205 N SER B 24 102.873 -14.849 34.300 1.00 0.00 N ATOM 1206 CA SER B 24 104.329 -14.962 34.001 1.00 0.00 C ATOM 1207 C SER B 24 104.589 -16.177 33.108 1.00 0.00 C ATOM 1208 O SER B 24 105.418 -16.138 32.218 1.00 0.00 O ATOM 1209 CB SER B 24 105.109 -15.115 35.306 1.00 0.00 C ATOM 1210 OG SER B 24 106.502 -15.057 35.030 1.00 0.00 O ATOM 0 H SER B 24 102.620 -14.998 35.277 1.00 0.00 H new ATOM 0 HA SER B 24 104.655 -14.061 33.482 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.832 -14.325 36.004 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.860 -16.063 35.783 1.00 0.00 H new ATOM 0 HG SER B 24 107.005 -15.153 35.865 1.00 0.00 H new ATOM 1216 N ASP B 25 103.905 -17.262 33.344 1.00 0.00 N ATOM 1217 CA ASP B 25 104.133 -18.480 32.514 1.00 0.00 C ATOM 1218 C ASP B 25 103.612 -18.259 31.095 1.00 0.00 C ATOM 1219 O ASP B 25 104.235 -18.659 30.131 1.00 0.00 O ATOM 1220 CB ASP B 25 103.406 -19.668 33.142 1.00 0.00 C ATOM 1221 CG ASP B 25 104.111 -20.079 34.436 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.273 -19.737 34.588 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.480 -20.733 35.250 1.00 0.00 O ATOM 0 H ASP B 25 103.199 -17.359 34.074 1.00 0.00 H new ATOM 0 HA ASP B 25 105.203 -18.683 32.471 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.369 -19.404 33.350 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.388 -20.506 32.445 1.00 0.00 H new ATOM 1228 N PHE B 26 102.484 -17.618 30.951 1.00 0.00 N ATOM 1229 CA PHE B 26 101.934 -17.363 29.582 1.00 0.00 C ATOM 1230 C PHE B 26 102.349 -15.957 29.132 1.00 0.00 C ATOM 1231 O PHE B 26 102.030 -15.522 28.043 1.00 0.00 O ATOM 1232 CB PHE B 26 100.405 -17.474 29.600 1.00 0.00 C ATOM 1233 CG PHE B 26 100.004 -18.921 29.806 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.834 -19.769 28.701 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.808 -19.418 31.102 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.470 -21.108 28.894 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.443 -20.756 31.292 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.275 -21.601 30.189 1.00 0.00 C ATOM 0 H PHE B 26 101.917 -17.259 31.719 1.00 0.00 H new ATOM 0 HA PHE B 26 102.329 -18.104 28.887 1.00 0.00 H new ATOM 0 HB2 PHE B 26 99.994 -16.855 30.398 1.00 0.00 H new ATOM 0 HB3 PHE B 26 99.992 -17.101 28.663 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.984 -19.389 27.701 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.939 -18.768 31.955 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.340 -21.760 28.043 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.291 -21.137 32.291 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.995 -22.633 30.337 1.00 0.00 H new ATOM 1248 N ASN B 27 103.072 -15.253 29.965 1.00 0.00 N ATOM 1249 CA ASN B 27 103.531 -13.878 29.599 1.00 0.00 C ATOM 1250 C ASN B 27 102.339 -13.018 29.174 1.00 0.00 C ATOM 1251 O ASN B 27 102.379 -12.354 28.157 1.00 0.00 O ATOM 1252 CB ASN B 27 104.527 -13.968 28.441 1.00 0.00 C ATOM 1253 CG ASN B 27 105.706 -14.852 28.850 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.055 -15.779 28.147 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.335 -14.605 29.966 1.00 0.00 N ATOM 0 H ASN B 27 103.366 -15.573 30.888 1.00 0.00 H new ATOM 0 HA ASN B 27 104.008 -13.421 30.466 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.038 -14.381 27.558 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.881 -12.972 28.173 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.121 -15.191 30.249 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.041 -13.826 30.556 1.00 0.00 H new ATOM 1262 N LEU B 28 101.279 -13.028 29.944 1.00 0.00 N ATOM 1263 CA LEU B 28 100.067 -12.216 29.594 1.00 0.00 C ATOM 1264 C LEU B 28 99.777 -11.205 30.719 1.00 0.00 C ATOM 1265 O LEU B 28 99.560 -11.601 31.847 1.00 0.00 O ATOM 1266 CB LEU B 28 98.867 -13.152 29.479 1.00 0.00 C ATOM 1267 CG LEU B 28 98.940 -13.959 28.174 1.00 0.00 C ATOM 1268 CD1 LEU B 28 97.982 -15.149 28.274 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.540 -13.078 26.970 1.00 0.00 C ATOM 0 H LEU B 28 101.199 -13.567 30.806 1.00 0.00 H new ATOM 0 HA LEU B 28 100.243 -11.690 28.656 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.843 -13.830 30.332 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.943 -12.574 29.505 1.00 0.00 H new ATOM 0 HG LEU B 28 99.962 -14.308 28.026 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.025 -15.729 27.352 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.272 -15.780 29.114 1.00 0.00 H new ATOM 0 HD13 LEU B 28 96.966 -14.786 28.427 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.597 -13.666 26.054 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.521 -12.717 27.106 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.219 -12.229 26.899 1.00 0.00 H new ATOM 1281 N PRO B 29 99.743 -9.914 30.439 1.00 0.00 N ATOM 1282 CA PRO B 29 99.440 -8.897 31.487 1.00 0.00 C ATOM 1283 C PRO B 29 98.205 -9.296 32.319 1.00 0.00 C ATOM 1284 O PRO B 29 97.597 -10.319 32.073 1.00 0.00 O ATOM 1285 CB PRO B 29 99.174 -7.614 30.691 1.00 0.00 C ATOM 1286 CG PRO B 29 99.966 -7.773 29.432 1.00 0.00 C ATOM 1287 CD PRO B 29 99.995 -9.276 29.128 1.00 0.00 C ATOM 0 HA PRO B 29 100.252 -8.788 32.205 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.112 -7.494 30.477 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.489 -6.731 31.247 1.00 0.00 H new ATOM 0 HG2 PRO B 29 99.508 -7.219 28.612 1.00 0.00 H new ATOM 0 HG3 PRO B 29 100.976 -7.382 29.556 1.00 0.00 H new ATOM 0 HD2 PRO B 29 99.233 -9.550 28.398 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.956 -9.581 28.715 1.00 0.00 H new ATOM 1295 N PRO B 30 97.840 -8.508 33.302 1.00 0.00 N ATOM 1296 CA PRO B 30 96.664 -8.813 34.178 1.00 0.00 C ATOM 1297 C PRO B 30 95.319 -8.795 33.426 1.00 0.00 C ATOM 1298 O PRO B 30 94.345 -9.360 33.880 1.00 0.00 O ATOM 1299 CB PRO B 30 96.696 -7.703 35.256 1.00 0.00 C ATOM 1300 CG PRO B 30 98.056 -7.080 35.154 1.00 0.00 C ATOM 1301 CD PRO B 30 98.490 -7.247 33.700 1.00 0.00 C ATOM 0 HA PRO B 30 96.736 -9.822 34.585 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.913 -6.965 35.082 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.528 -8.117 36.250 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.024 -6.027 35.433 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.760 -7.567 35.829 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.161 -6.411 33.082 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.574 -7.305 33.607 1.00 0.00 H new ATOM 1309 N VAL B 31 95.247 -8.136 32.304 1.00 0.00 N ATOM 1310 CA VAL B 31 93.949 -8.077 31.570 1.00 0.00 C ATOM 1311 C VAL B 31 93.456 -9.488 31.250 1.00 0.00 C ATOM 1312 O VAL B 31 92.385 -9.893 31.655 1.00 0.00 O ATOM 1313 CB VAL B 31 94.131 -7.307 30.257 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.860 -7.414 29.401 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.414 -5.836 30.569 1.00 0.00 C ATOM 0 H VAL B 31 96.022 -7.639 31.865 1.00 0.00 H new ATOM 0 HA VAL B 31 93.218 -7.571 32.200 1.00 0.00 H new ATOM 0 HB VAL B 31 94.967 -7.735 29.704 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.000 -6.863 28.471 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.660 -8.462 29.176 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.016 -6.993 29.948 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.544 -5.285 29.638 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.577 -5.415 31.126 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.323 -5.759 31.166 1.00 0.00 H new ATOM 1325 N VAL B 32 94.221 -10.222 30.501 1.00 0.00 N ATOM 1326 CA VAL B 32 93.798 -11.596 30.117 1.00 0.00 C ATOM 1327 C VAL B 32 93.832 -12.530 31.330 1.00 0.00 C ATOM 1328 O VAL B 32 92.963 -13.358 31.504 1.00 0.00 O ATOM 1329 CB VAL B 32 94.746 -12.126 29.048 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.299 -13.519 28.609 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.747 -11.180 27.844 1.00 0.00 C ATOM 0 H VAL B 32 95.127 -9.930 30.135 1.00 0.00 H new ATOM 0 HA VAL B 32 92.778 -11.558 29.734 1.00 0.00 H new ATOM 0 HB VAL B 32 95.754 -12.185 29.459 1.00 0.00 H new ATOM 0 HG11 VAL B 32 94.979 -13.895 27.845 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.309 -14.192 29.467 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.289 -13.466 28.202 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.426 -11.562 27.082 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.740 -11.114 27.433 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.076 -10.190 28.160 1.00 0.00 H new ATOM 1341 N ALA B 33 94.830 -12.417 32.165 1.00 0.00 N ATOM 1342 CA ALA B 33 94.904 -13.319 33.348 1.00 0.00 C ATOM 1343 C ALA B 33 93.662 -13.121 34.218 1.00 0.00 C ATOM 1344 O ALA B 33 93.013 -14.068 34.617 1.00 0.00 O ATOM 1345 CB ALA B 33 96.165 -13.005 34.158 1.00 0.00 C ATOM 0 H ALA B 33 95.592 -11.744 32.080 1.00 0.00 H new ATOM 0 HA ALA B 33 94.946 -14.355 33.013 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.216 -13.667 35.023 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.046 -13.156 33.533 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.132 -11.969 34.495 1.00 0.00 H new ATOM 1351 N LYS B 34 93.316 -11.900 34.501 1.00 0.00 N ATOM 1352 CA LYS B 34 92.107 -11.643 35.330 1.00 0.00 C ATOM 1353 C LYS B 34 90.877 -12.221 34.626 1.00 0.00 C ATOM 1354 O LYS B 34 89.992 -12.774 35.248 1.00 0.00 O ATOM 1355 CB LYS B 34 91.917 -10.132 35.505 1.00 0.00 C ATOM 1356 CG LYS B 34 93.011 -9.550 36.416 1.00 0.00 C ATOM 1357 CD LYS B 34 92.676 -9.809 37.893 1.00 0.00 C ATOM 1358 CE LYS B 34 93.623 -8.998 38.778 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.213 -9.148 40.203 1.00 0.00 N ATOM 0 H LYS B 34 93.818 -11.067 34.194 1.00 0.00 H new ATOM 0 HA LYS B 34 92.231 -12.113 36.305 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.947 -9.641 34.532 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.935 -9.931 35.933 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.973 -9.999 36.171 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.106 -8.478 36.241 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.642 -9.531 38.097 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.771 -10.871 38.118 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.649 -9.342 38.644 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.599 -7.947 38.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.855 -8.598 40.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.240 -8.800 40.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.257 -10.151 40.473 1.00 0.00 H new ATOM 1373 N GLU B 35 90.810 -12.078 33.333 1.00 0.00 N ATOM 1374 CA GLU B 35 89.633 -12.595 32.580 1.00 0.00 C ATOM 1375 C GLU B 35 89.528 -14.111 32.731 1.00 0.00 C ATOM 1376 O GLU B 35 88.451 -14.652 32.884 1.00 0.00 O ATOM 1377 CB GLU B 35 89.797 -12.253 31.101 1.00 0.00 C ATOM 1378 CG GLU B 35 88.514 -12.604 30.337 1.00 0.00 C ATOM 1379 CD GLU B 35 88.462 -14.110 30.048 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.497 -14.751 30.127 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.384 -14.595 29.749 1.00 0.00 O ATOM 0 H GLU B 35 91.523 -11.623 32.762 1.00 0.00 H new ATOM 0 HA GLU B 35 88.729 -12.135 32.978 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.019 -11.192 30.987 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.641 -12.802 30.683 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.642 -12.308 30.921 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.475 -12.046 29.402 1.00 0.00 H new ATOM 1388 N ILE B 36 90.626 -14.807 32.694 1.00 0.00 N ATOM 1389 CA ILE B 36 90.560 -16.284 32.840 1.00 0.00 C ATOM 1390 C ILE B 36 89.946 -16.598 34.205 1.00 0.00 C ATOM 1391 O ILE B 36 89.109 -17.467 34.339 1.00 0.00 O ATOM 1392 CB ILE B 36 91.970 -16.859 32.726 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.490 -16.597 31.311 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.935 -18.365 32.978 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.978 -16.930 31.234 1.00 0.00 C ATOM 0 H ILE B 36 91.562 -14.420 32.570 1.00 0.00 H new ATOM 0 HA ILE B 36 89.945 -16.731 32.059 1.00 0.00 H new ATOM 0 HB ILE B 36 92.622 -16.388 33.462 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.936 -17.201 30.593 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.328 -15.553 31.042 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.943 -18.771 32.896 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.547 -18.558 33.978 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.290 -18.842 32.240 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.341 -16.741 30.224 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.527 -16.307 31.940 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.129 -17.980 31.483 1.00 0.00 H new ATOM 1407 N VAL B 37 90.328 -15.859 35.209 1.00 0.00 N ATOM 1408 CA VAL B 37 89.742 -16.062 36.561 1.00 0.00 C ATOM 1409 C VAL B 37 88.272 -15.640 36.506 1.00 0.00 C ATOM 1410 O VAL B 37 87.404 -16.265 37.082 1.00 0.00 O ATOM 1411 CB VAL B 37 90.492 -15.184 37.570 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.754 -15.187 38.910 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.910 -15.729 37.767 1.00 0.00 C ATOM 0 H VAL B 37 91.026 -15.118 35.149 1.00 0.00 H new ATOM 0 HA VAL B 37 89.824 -17.106 36.865 1.00 0.00 H new ATOM 0 HB VAL B 37 90.542 -14.164 37.190 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.291 -14.562 39.623 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.746 -14.795 38.771 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.698 -16.206 39.292 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.443 -15.105 38.484 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.858 -16.751 38.143 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.439 -15.720 36.814 1.00 0.00 H new ATOM 1423 N ALA B 38 87.999 -14.568 35.809 1.00 0.00 N ATOM 1424 CA ALA B 38 86.600 -14.066 35.692 1.00 0.00 C ATOM 1425 C ALA B 38 85.710 -15.112 35.007 1.00 0.00 C ATOM 1426 O ALA B 38 84.500 -15.055 35.094 1.00 0.00 O ATOM 1427 CB ALA B 38 86.595 -12.772 34.870 1.00 0.00 C ATOM 0 H ALA B 38 88.695 -14.013 35.310 1.00 0.00 H new ATOM 0 HA ALA B 38 86.208 -13.874 36.691 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.574 -12.401 34.782 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.212 -12.023 35.367 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.996 -12.971 33.876 1.00 0.00 H new ATOM 1433 N SER B 39 86.290 -16.059 34.312 1.00 0.00 N ATOM 1434 CA SER B 39 85.458 -17.089 33.613 1.00 0.00 C ATOM 1435 C SER B 39 85.300 -18.325 34.499 1.00 0.00 C ATOM 1436 O SER B 39 84.250 -18.934 34.544 1.00 0.00 O ATOM 1437 CB SER B 39 86.143 -17.494 32.307 1.00 0.00 C ATOM 1438 OG SER B 39 86.360 -16.337 31.510 1.00 0.00 O ATOM 0 H SER B 39 87.298 -16.164 34.198 1.00 0.00 H new ATOM 0 HA SER B 39 84.475 -16.668 33.403 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.092 -17.987 32.519 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.525 -18.211 31.766 1.00 0.00 H new ATOM 0 HG SER B 39 87.070 -15.793 31.910 1.00 0.00 H new ATOM 1444 N CYS B 40 86.325 -18.698 35.210 1.00 0.00 N ATOM 1445 CA CYS B 40 86.210 -19.890 36.096 1.00 0.00 C ATOM 1446 C CYS B 40 85.097 -19.641 37.116 1.00 0.00 C ATOM 1447 O CYS B 40 85.006 -18.578 37.693 1.00 0.00 O ATOM 1448 CB CYS B 40 87.537 -20.124 36.819 1.00 0.00 C ATOM 1449 SG CYS B 40 87.575 -21.807 37.480 1.00 0.00 S ATOM 0 H CYS B 40 87.233 -18.233 35.217 1.00 0.00 H new ATOM 0 HA CYS B 40 85.973 -20.773 35.502 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.369 -19.973 36.132 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.656 -19.402 37.627 1.00 0.00 H new ATOM 1454 N ASP B 41 84.242 -20.603 37.334 1.00 0.00 N ATOM 1455 CA ASP B 41 83.129 -20.405 38.309 1.00 0.00 C ATOM 1456 C ASP B 41 83.634 -20.565 39.747 1.00 0.00 C ATOM 1457 O ASP B 41 83.139 -19.930 40.657 1.00 0.00 O ATOM 1458 CB ASP B 41 82.025 -21.431 38.039 1.00 0.00 C ATOM 1459 CG ASP B 41 81.289 -21.068 36.746 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.374 -19.922 36.339 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.652 -21.944 36.185 1.00 0.00 O ATOM 0 H ASP B 41 84.265 -21.516 36.881 1.00 0.00 H new ATOM 0 HA ASP B 41 82.735 -19.396 38.188 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.455 -22.429 37.956 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.324 -21.454 38.874 1.00 0.00 H new ATOM 1466 N LYS B 42 84.599 -21.414 39.969 1.00 0.00 N ATOM 1467 CA LYS B 42 85.104 -21.609 41.360 1.00 0.00 C ATOM 1468 C LYS B 42 85.892 -20.377 41.811 1.00 0.00 C ATOM 1469 O LYS B 42 85.779 -19.937 42.938 1.00 0.00 O ATOM 1470 CB LYS B 42 86.027 -22.831 41.399 1.00 0.00 C ATOM 1471 CG LYS B 42 85.260 -24.099 40.988 1.00 0.00 C ATOM 1472 CD LYS B 42 84.251 -24.495 42.077 1.00 0.00 C ATOM 1473 CE LYS B 42 83.822 -25.950 41.872 1.00 0.00 C ATOM 1474 NZ LYS B 42 82.759 -26.297 42.859 1.00 0.00 N ATOM 0 H LYS B 42 85.058 -21.978 39.254 1.00 0.00 H new ATOM 0 HA LYS B 42 84.255 -21.759 42.027 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.872 -22.677 40.729 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.434 -22.955 42.402 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.739 -23.926 40.046 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.961 -24.916 40.819 1.00 0.00 H new ATOM 0 HD2 LYS B 42 84.698 -24.372 43.064 1.00 0.00 H new ATOM 0 HD3 LYS B 42 83.381 -23.839 42.037 1.00 0.00 H new ATOM 0 HE2 LYS B 42 83.451 -26.092 40.857 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.678 -26.614 41.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 82.466 -27.285 42.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.128 -26.177 43.824 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 81.940 -25.671 42.721 1.00 0.00 H new ATOM 1488 N CYS B 43 86.690 -19.811 40.945 1.00 0.00 N ATOM 1489 CA CYS B 43 87.481 -18.606 41.337 1.00 0.00 C ATOM 1490 C CYS B 43 86.634 -17.346 41.145 1.00 0.00 C ATOM 1491 O CYS B 43 87.106 -16.238 41.308 1.00 0.00 O ATOM 1492 CB CYS B 43 88.753 -18.520 40.494 1.00 0.00 C ATOM 1493 SG CYS B 43 89.639 -20.095 40.583 1.00 0.00 S ATOM 0 H CYS B 43 86.829 -20.129 39.986 1.00 0.00 H new ATOM 0 HA CYS B 43 87.761 -18.688 42.387 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.502 -18.289 39.459 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.388 -17.712 40.856 1.00 0.00 H new ATOM 1498 N GLN B 44 85.383 -17.505 40.801 1.00 0.00 N ATOM 1499 CA GLN B 44 84.508 -16.314 40.600 1.00 0.00 C ATOM 1500 C GLN B 44 84.088 -15.764 41.963 1.00 0.00 C ATOM 1501 O GLN B 44 84.517 -14.706 42.376 1.00 0.00 O ATOM 1502 CB GLN B 44 83.257 -16.726 39.815 1.00 0.00 C ATOM 1503 CG GLN B 44 82.406 -15.492 39.489 1.00 0.00 C ATOM 1504 CD GLN B 44 83.168 -14.570 38.536 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.916 -15.027 37.697 1.00 0.00 O ATOM 1506 NE2 GLN B 44 82.997 -13.279 38.627 1.00 0.00 N ATOM 0 H GLN B 44 84.930 -18.407 40.651 1.00 0.00 H new ATOM 0 HA GLN B 44 85.052 -15.550 40.045 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.547 -17.231 38.893 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.671 -17.437 40.397 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.464 -15.799 39.036 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.159 -14.957 40.406 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.368 -12.896 39.333 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.493 -12.653 37.992 1.00 0.00 H new ATOM 1515 N LEU B 45 83.258 -16.478 42.666 1.00 0.00 N ATOM 1516 CA LEU B 45 82.810 -16.002 44.007 1.00 0.00 C ATOM 1517 C LEU B 45 83.861 -16.403 45.047 1.00 0.00 C ATOM 1518 O LEU B 45 84.495 -17.432 44.934 1.00 0.00 O ATOM 1519 CB LEU B 45 81.469 -16.654 44.345 1.00 0.00 C ATOM 1520 CG LEU B 45 80.471 -16.404 43.206 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.145 -17.092 43.537 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.238 -14.894 43.034 1.00 0.00 C ATOM 0 H LEU B 45 82.868 -17.373 42.372 1.00 0.00 H new ATOM 0 HA LEU B 45 82.692 -14.918 44.006 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.602 -17.725 44.496 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.080 -16.246 45.278 1.00 0.00 H new ATOM 0 HG LEU B 45 80.874 -16.809 42.278 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.433 -16.917 42.730 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.309 -18.164 43.650 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.747 -16.686 44.467 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.529 -14.725 42.224 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.837 -14.480 43.959 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.183 -14.405 42.797 1.00 0.00 H new ATOM 1534 N LYS B 46 84.062 -15.595 46.055 1.00 0.00 N ATOM 1535 CA LYS B 46 85.088 -15.938 47.084 1.00 0.00 C ATOM 1536 C LYS B 46 84.511 -16.935 48.091 1.00 0.00 C ATOM 1537 O LYS B 46 83.599 -16.629 48.834 1.00 0.00 O ATOM 1538 CB LYS B 46 85.523 -14.665 47.814 1.00 0.00 C ATOM 1539 CG LYS B 46 86.590 -15.010 48.857 1.00 0.00 C ATOM 1540 CD LYS B 46 87.105 -13.725 49.508 1.00 0.00 C ATOM 1541 CE LYS B 46 88.138 -14.078 50.577 1.00 0.00 C ATOM 1542 NZ LYS B 46 89.201 -14.930 49.975 1.00 0.00 N ATOM 0 H LYS B 46 83.564 -14.718 46.210 1.00 0.00 H new ATOM 0 HA LYS B 46 85.949 -16.390 46.592 1.00 0.00 H new ATOM 0 HB2 LYS B 46 85.918 -13.942 47.101 1.00 0.00 H new ATOM 0 HB3 LYS B 46 84.664 -14.200 48.298 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.171 -15.671 49.615 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.414 -15.546 48.386 1.00 0.00 H new ATOM 0 HD2 LYS B 46 87.552 -13.076 48.755 1.00 0.00 H new ATOM 0 HD3 LYS B 46 86.278 -13.173 49.954 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.575 -13.169 50.990 1.00 0.00 H new ATOM 0 HE3 LYS B 46 87.658 -14.604 51.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 90.053 -14.894 50.570 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 88.864 -15.912 49.911 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 89.429 -14.580 49.023 1.00 0.00 H new ATOM 1556 N GLY B 47 85.051 -18.125 48.131 1.00 0.00 N ATOM 1557 CA GLY B 47 84.553 -19.143 49.098 1.00 0.00 C ATOM 1558 C GLY B 47 83.025 -19.199 49.059 1.00 0.00 C ATOM 1559 O GLY B 47 82.417 -19.191 48.006 1.00 0.00 O ATOM 0 H GLY B 47 85.817 -18.435 47.533 1.00 0.00 H new ATOM 0 HA2 GLY B 47 84.967 -20.121 48.854 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.890 -18.896 50.105 1.00 0.00 H new ATOM 1563 N GLU B 48 82.403 -19.255 50.205 1.00 0.00 N ATOM 1564 CA GLU B 48 80.915 -19.309 50.250 1.00 0.00 C ATOM 1565 C GLU B 48 80.358 -17.896 50.063 1.00 0.00 C ATOM 1566 O GLU B 48 81.042 -16.916 50.281 1.00 0.00 O ATOM 1567 CB GLU B 48 80.468 -19.874 51.601 1.00 0.00 C ATOM 1568 CG GLU B 48 78.964 -20.153 51.570 1.00 0.00 C ATOM 1569 CD GLU B 48 78.543 -20.820 52.881 1.00 0.00 C ATOM 1570 OE1 GLU B 48 79.423 -21.192 53.642 1.00 0.00 O ATOM 1571 OE2 GLU B 48 77.350 -20.949 53.101 1.00 0.00 O ATOM 0 H GLU B 48 82.864 -19.266 51.115 1.00 0.00 H new ATOM 0 HA GLU B 48 80.541 -19.953 49.454 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.014 -20.792 51.821 1.00 0.00 H new ATOM 0 HB3 GLU B 48 80.700 -19.166 52.397 1.00 0.00 H new ATOM 0 HG2 GLU B 48 78.413 -19.223 51.429 1.00 0.00 H new ATOM 0 HG3 GLU B 48 78.720 -20.798 50.726 1.00 0.00 H new ATOM 1578 N ALA B 49 79.126 -17.779 49.654 1.00 0.00 N ATOM 1579 CA ALA B 49 78.539 -16.426 49.445 1.00 0.00 C ATOM 1580 C ALA B 49 78.357 -15.728 50.797 1.00 0.00 C ATOM 1581 O ALA B 49 79.313 -15.295 51.409 1.00 0.00 O ATOM 1582 CB ALA B 49 77.181 -16.565 48.754 1.00 0.00 C ATOM 0 H ALA B 49 78.501 -18.560 49.456 1.00 0.00 H new ATOM 0 HA ALA B 49 79.208 -15.832 48.822 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.748 -15.576 48.600 1.00 0.00 H new ATOM 0 HB2 ALA B 49 77.312 -17.058 47.791 1.00 0.00 H new ATOM 0 HB3 ALA B 49 76.514 -17.159 49.379 1.00 0.00 H new ATOM 1588 N MET B 50 77.137 -15.614 51.261 1.00 0.00 N ATOM 1589 CA MET B 50 76.867 -14.942 52.574 1.00 0.00 C ATOM 1590 C MET B 50 77.759 -13.705 52.738 1.00 0.00 C ATOM 1591 O MET B 50 78.399 -13.514 53.752 1.00 0.00 O ATOM 1592 CB MET B 50 77.083 -15.919 53.746 1.00 0.00 C ATOM 1593 CG MET B 50 78.514 -16.474 53.762 1.00 0.00 C ATOM 1594 SD MET B 50 78.764 -17.403 55.297 1.00 0.00 S ATOM 1595 CE MET B 50 80.568 -17.283 55.355 1.00 0.00 C ATOM 0 H MET B 50 76.306 -15.961 50.782 1.00 0.00 H new ATOM 0 HA MET B 50 75.825 -14.623 52.583 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.879 -15.409 54.688 1.00 0.00 H new ATOM 0 HB3 MET B 50 76.373 -16.743 53.669 1.00 0.00 H new ATOM 0 HG2 MET B 50 78.678 -17.120 52.899 1.00 0.00 H new ATOM 0 HG3 MET B 50 79.235 -15.660 53.692 1.00 0.00 H new ATOM 0 HE1 MET B 50 80.939 -17.799 56.240 1.00 0.00 H new ATOM 0 HE2 MET B 50 80.992 -17.743 54.462 1.00 0.00 H new ATOM 0 HE3 MET B 50 80.862 -16.234 55.397 1.00 0.00 H new ATOM 1605 N HIS B 51 77.799 -12.857 51.748 1.00 0.00 N ATOM 1606 CA HIS B 51 78.646 -11.634 51.849 1.00 0.00 C ATOM 1607 C HIS B 51 77.918 -10.577 52.679 1.00 0.00 C ATOM 1608 O HIS B 51 78.504 -9.608 53.117 1.00 0.00 O ATOM 1609 CB HIS B 51 78.919 -11.085 50.450 1.00 0.00 C ATOM 1610 CG HIS B 51 79.707 -12.094 49.665 1.00 0.00 C ATOM 1611 ND1 HIS B 51 81.048 -12.344 49.923 1.00 0.00 N ATOM 1612 CD2 HIS B 51 79.361 -12.930 48.632 1.00 0.00 C ATOM 1613 CE1 HIS B 51 81.456 -13.295 49.063 1.00 0.00 C ATOM 1614 NE2 HIS B 51 80.467 -13.684 48.257 1.00 0.00 N ATOM 0 H HIS B 51 77.283 -12.957 50.874 1.00 0.00 H new ATOM 0 HA HIS B 51 79.591 -11.886 52.330 1.00 0.00 H new ATOM 0 HB2 HIS B 51 77.979 -10.866 49.943 1.00 0.00 H new ATOM 0 HB3 HIS B 51 79.471 -10.147 50.516 1.00 0.00 H new ATOM 0 HD2 HIS B 51 78.382 -12.992 48.181 1.00 0.00 H new ATOM 0 HE1 HIS B 51 82.459 -13.694 49.030 1.00 0.00 H new ATOM 0 HE2 HIS B 51 80.513 -14.387 47.520 1.00 0.00 H new ATOM 1623 N GLY B 52 76.647 -10.759 52.906 1.00 0.00 N ATOM 1624 CA GLY B 52 75.892 -9.765 53.716 1.00 0.00 C ATOM 1625 C GLY B 52 76.625 -9.539 55.039 1.00 0.00 C ATOM 1626 O GLY B 52 77.456 -10.330 55.441 1.00 0.00 O ATOM 0 H GLY B 52 76.101 -11.551 52.567 1.00 0.00 H new ATOM 0 HA2 GLY B 52 75.802 -8.826 53.171 1.00 0.00 H new ATOM 0 HA3 GLY B 52 74.880 -10.123 53.903 1.00 0.00 H new ATOM 1630 N GLN B 53 76.324 -8.465 55.719 1.00 0.00 N ATOM 1631 CA GLN B 53 77.005 -8.176 57.020 1.00 0.00 C ATOM 1632 C GLN B 53 76.062 -7.387 57.927 1.00 0.00 C ATOM 1633 O GLN B 53 76.237 -7.341 59.128 1.00 0.00 O ATOM 1634 CB GLN B 53 78.260 -7.329 56.768 1.00 0.00 C ATOM 1635 CG GLN B 53 79.381 -8.198 56.199 1.00 0.00 C ATOM 1636 CD GLN B 53 80.617 -7.327 55.960 1.00 0.00 C ATOM 1637 OE1 GLN B 53 80.496 -6.025 55.970 1.00 0.00 O flip ATOM 1638 NE2 GLN B 53 81.704 -7.833 55.765 1.00 0.00 N flip ATOM 0 H GLN B 53 75.634 -7.772 55.430 1.00 0.00 H new ATOM 0 HA GLN B 53 77.279 -9.119 57.494 1.00 0.00 H new ATOM 0 HB2 GLN B 53 78.029 -6.521 56.073 1.00 0.00 H new ATOM 0 HB3 GLN B 53 78.587 -6.865 57.699 1.00 0.00 H new ATOM 0 HG2 GLN B 53 79.618 -9.006 56.891 1.00 0.00 H new ATOM 0 HG3 GLN B 53 79.061 -8.661 55.266 1.00 0.00 H new ATOM 0 HE21 GLN B 53 81.800 -8.848 55.757 1.00 0.00 H new ATOM 0 HE22 GLN B 53 82.521 -7.242 55.609 1.00 0.00 H new ATOM 1647 N VAL B 54 75.072 -6.751 57.363 1.00 0.00 N ATOM 1648 CA VAL B 54 74.125 -5.944 58.188 1.00 0.00 C ATOM 1649 C VAL B 54 72.880 -6.771 58.516 1.00 0.00 C ATOM 1650 O VAL B 54 72.396 -7.536 57.706 1.00 0.00 O ATOM 1651 CB VAL B 54 73.728 -4.694 57.403 1.00 0.00 C ATOM 1652 CG1 VAL B 54 74.993 -3.950 56.967 1.00 0.00 C ATOM 1653 CG2 VAL B 54 72.926 -5.102 56.166 1.00 0.00 C ATOM 0 H VAL B 54 74.876 -6.755 56.362 1.00 0.00 H new ATOM 0 HA VAL B 54 74.606 -5.655 59.122 1.00 0.00 H new ATOM 0 HB VAL B 54 73.119 -4.045 58.032 1.00 0.00 H new ATOM 0 HG11 VAL B 54 74.715 -3.057 56.407 1.00 0.00 H new ATOM 0 HG12 VAL B 54 75.567 -3.662 57.847 1.00 0.00 H new ATOM 0 HG13 VAL B 54 75.599 -4.601 56.336 1.00 0.00 H new ATOM 0 HG21 VAL B 54 72.643 -4.211 55.606 1.00 0.00 H new ATOM 0 HG22 VAL B 54 73.535 -5.749 55.535 1.00 0.00 H new ATOM 0 HG23 VAL B 54 72.028 -5.637 56.475 1.00 0.00 H new ATOM 1663 N ASP B 55 72.362 -6.624 59.708 1.00 0.00 N ATOM 1664 CA ASP B 55 71.150 -7.399 60.111 1.00 0.00 C ATOM 1665 C ASP B 55 70.305 -6.555 61.067 1.00 0.00 C ATOM 1666 O ASP B 55 70.858 -6.062 62.036 1.00 0.00 O ATOM 1667 CB ASP B 55 71.582 -8.683 60.822 1.00 0.00 C ATOM 1668 CG ASP B 55 70.350 -9.532 61.143 1.00 0.00 C ATOM 1669 OD1 ASP B 55 69.260 -8.984 61.140 1.00 0.00 O ATOM 1670 OD2 ASP B 55 70.518 -10.716 61.384 1.00 0.00 O ATOM 1671 OXT ASP B 55 69.120 -6.418 60.815 1.00 0.00 O ATOM 0 H ASP B 55 72.729 -5.997 60.424 1.00 0.00 H new ATOM 0 HA ASP B 55 70.565 -7.649 59.226 1.00 0.00 H new ATOM 0 HB2 ASP B 55 72.270 -9.246 60.191 1.00 0.00 H new ATOM 0 HB3 ASP B 55 72.118 -8.440 61.740 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.878 -1.602 35.879 1.00 0.00 CD HETATM 1678 CD CD B 56 89.911 -21.666 38.547 1.00 0.00 CD