USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN : amide:sc= -7.48! C(o=-14!,f=-14!) USER MOD Set 1.2: B 44 GLN : amide:sc= -6.85! C(o=-14!,f=-15!) USER MOD Single : A 1 PHE N :NH3+ 164:sc= 0.854 (180deg=0.512) USER MOD Single : A 7 LYS NZ :NH3+ -114:sc= -1.61 (180deg=-4.14!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -72:sc= 0.849 USER MOD Single : A 18 ASN : amide:sc= -0.065 K(o=-0.065,f=-1.8!) USER MOD Single : A 22 MET CE :methyl -154:sc= -0.113 (180deg=-1.19) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 77:sc= 0.237 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0668 (180deg=-0.629) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc=-0.00753 (180deg=-0.283) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -4.45! C(o=-4.5!,f=-6.5!) USER MOD Single : A 53 GLN : amide:sc= -1.9 X(o=-1.9,f=-2) USER MOD Single : B 1 PHE N :NH3+ 161:sc= 0.873 (180deg=0.417) USER MOD Single : B 7 LYS NZ :NH3+ -111:sc= -1.61 (180deg=-3.87!) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -64:sc= 0.84 USER MOD Single : B 18 ASN : amide:sc= -0.0626 K(o=-0.063,f=-1.8!) USER MOD Single : B 22 MET CE :methyl -157:sc= -0.171 (180deg=-1.32) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 78:sc= 0.188 USER MOD Single : B 42 LYS NZ :NH3+ 135:sc= -0.0516 (180deg=-0.62) USER MOD Single : B 46 LYS NZ :NH3+ 165:sc= -0.0216 (180deg=-0.307) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-6.5!) USER MOD Single : B 53 GLN : amide:sc= -1.89 X(o=-1.9,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.478 -3.581 24.436 1.00 0.00 N ATOM 2 CA PHE A 1 94.169 -4.308 25.699 1.00 0.00 C ATOM 3 C PHE A 1 93.811 -3.301 26.793 1.00 0.00 C ATOM 4 O PHE A 1 92.672 -2.903 26.940 1.00 0.00 O ATOM 5 CB PHE A 1 95.392 -5.117 26.140 1.00 0.00 C ATOM 6 CG PHE A 1 95.597 -6.289 25.207 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.159 -6.087 23.941 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.230 -7.579 25.612 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.356 -7.176 23.080 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.425 -8.665 24.752 1.00 0.00 C ATOM 11 CZ PHE A 1 95.989 -8.465 23.487 1.00 0.00 C ATOM 0 H1 PHE A 1 94.975 -4.218 23.781 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.593 -3.255 23.997 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.082 -2.761 24.646 1.00 0.00 H new ATOM 0 HA PHE A 1 93.328 -4.981 25.530 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.278 -4.482 26.141 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.254 -5.473 27.161 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.441 -5.093 23.627 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.796 -7.735 26.589 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.791 -7.021 22.103 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.140 -9.659 25.065 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.141 -9.304 22.825 1.00 0.00 H new ATOM 23 N LEU A 2 94.778 -2.890 27.567 1.00 0.00 N ATOM 24 CA LEU A 2 94.505 -1.911 28.657 1.00 0.00 C ATOM 25 C LEU A 2 93.957 -0.611 28.062 1.00 0.00 C ATOM 26 O LEU A 2 93.062 0.002 28.607 1.00 0.00 O ATOM 27 CB LEU A 2 95.807 -1.626 29.411 1.00 0.00 C ATOM 28 CG LEU A 2 96.320 -2.914 30.076 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.786 -2.730 30.475 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.496 -3.235 31.336 1.00 0.00 C ATOM 0 H LEU A 2 95.749 -3.192 27.491 1.00 0.00 H new ATOM 0 HA LEU A 2 93.766 -2.325 29.343 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.558 -1.238 28.723 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.639 -0.858 30.166 1.00 0.00 H new ATOM 0 HG LEU A 2 96.222 -3.736 29.367 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.152 -3.642 30.947 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.381 -2.517 29.587 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.871 -1.900 31.176 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.873 -4.150 31.794 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.581 -2.412 32.046 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.450 -3.371 31.062 1.00 0.00 H new ATOM 42 N ASP A 3 94.493 -0.181 26.953 1.00 0.00 N ATOM 43 CA ASP A 3 94.006 1.086 26.330 1.00 0.00 C ATOM 44 C ASP A 3 92.541 0.942 25.914 1.00 0.00 C ATOM 45 O ASP A 3 91.745 1.846 26.084 1.00 0.00 O ATOM 46 CB ASP A 3 94.848 1.392 25.092 1.00 0.00 C ATOM 47 CG ASP A 3 96.239 1.864 25.518 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.404 3.058 25.711 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.117 1.025 25.642 1.00 0.00 O ATOM 0 H ASP A 3 95.246 -0.650 26.450 1.00 0.00 H new ATOM 0 HA ASP A 3 94.094 1.895 27.055 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.931 0.502 24.468 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.361 2.160 24.490 1.00 0.00 H new ATOM 54 N GLY A 4 92.175 -0.186 25.375 1.00 0.00 N ATOM 55 CA GLY A 4 90.758 -0.386 24.954 1.00 0.00 C ATOM 56 C GLY A 4 89.859 -0.312 26.185 1.00 0.00 C ATOM 57 O GLY A 4 88.775 0.236 26.153 1.00 0.00 O ATOM 0 H GLY A 4 92.794 -0.979 25.207 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.469 0.376 24.230 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.644 -1.352 24.462 1.00 0.00 H new ATOM 61 N ILE A 5 90.312 -0.870 27.267 1.00 0.00 N ATOM 62 CA ILE A 5 89.516 -0.860 28.523 1.00 0.00 C ATOM 63 C ILE A 5 89.363 0.571 29.047 1.00 0.00 C ATOM 64 O ILE A 5 88.318 0.949 29.534 1.00 0.00 O ATOM 65 CB ILE A 5 90.225 -1.737 29.558 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.082 -3.207 29.149 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.611 -1.525 30.943 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.080 -4.063 29.931 1.00 0.00 C ATOM 0 H ILE A 5 91.214 -1.340 27.337 1.00 0.00 H new ATOM 0 HA ILE A 5 88.518 -1.254 28.330 1.00 0.00 H new ATOM 0 HB ILE A 5 91.280 -1.464 29.599 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.066 -3.550 29.342 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.257 -3.315 28.079 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.125 -2.155 31.669 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.716 -0.479 31.231 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.554 -1.790 30.917 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.974 -5.107 29.636 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.094 -3.727 29.716 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.884 -3.966 30.999 1.00 0.00 H new ATOM 80 N ASP A 6 90.392 1.364 28.970 1.00 0.00 N ATOM 81 CA ASP A 6 90.283 2.757 29.490 1.00 0.00 C ATOM 82 C ASP A 6 89.181 3.510 28.744 1.00 0.00 C ATOM 83 O ASP A 6 88.335 4.141 29.349 1.00 0.00 O ATOM 84 CB ASP A 6 91.616 3.481 29.291 1.00 0.00 C ATOM 85 CG ASP A 6 91.503 4.911 29.822 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.687 5.652 29.297 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.234 5.244 30.739 1.00 0.00 O ATOM 0 H ASP A 6 91.298 1.113 28.573 1.00 0.00 H new ATOM 0 HA ASP A 6 90.037 2.723 30.551 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.412 2.950 29.813 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.881 3.494 28.234 1.00 0.00 H new ATOM 92 N LYS A 7 89.171 3.453 27.445 1.00 0.00 N ATOM 93 CA LYS A 7 88.108 4.169 26.685 1.00 0.00 C ATOM 94 C LYS A 7 86.763 3.483 26.925 1.00 0.00 C ATOM 95 O LYS A 7 85.742 4.124 27.077 1.00 0.00 O ATOM 96 CB LYS A 7 88.434 4.132 25.193 1.00 0.00 C ATOM 97 CG LYS A 7 89.654 5.013 24.911 1.00 0.00 C ATOM 98 CD LYS A 7 89.948 5.026 23.406 1.00 0.00 C ATOM 99 CE LYS A 7 90.337 3.620 22.923 1.00 0.00 C ATOM 100 NZ LYS A 7 89.105 2.850 22.586 1.00 0.00 N ATOM 0 H LYS A 7 89.848 2.945 26.876 1.00 0.00 H new ATOM 0 HA LYS A 7 88.057 5.205 27.021 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.633 3.107 24.879 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.579 4.482 24.615 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.471 6.028 25.264 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.519 4.637 25.457 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.071 5.375 22.861 1.00 0.00 H new ATOM 0 HD3 LYS A 7 90.755 5.727 23.193 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.985 3.691 22.049 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.902 3.101 23.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 89.000 2.056 23.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 88.276 3.473 22.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 89.179 2.483 21.616 1.00 0.00 H new ATOM 114 N ALA A 8 86.757 2.178 26.960 1.00 0.00 N ATOM 115 CA ALA A 8 85.482 1.438 27.190 1.00 0.00 C ATOM 116 C ALA A 8 85.022 1.645 28.632 1.00 0.00 C ATOM 117 O ALA A 8 83.845 1.597 28.930 1.00 0.00 O ATOM 118 CB ALA A 8 85.699 -0.055 26.933 1.00 0.00 C ATOM 0 H ALA A 8 87.582 1.591 26.839 1.00 0.00 H new ATOM 0 HA ALA A 8 84.720 1.815 26.508 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.766 -0.593 27.102 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.022 -0.204 25.903 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.464 -0.434 27.611 1.00 0.00 H new ATOM 124 N GLN A 9 85.940 1.858 29.532 1.00 0.00 N ATOM 125 CA GLN A 9 85.551 2.049 30.956 1.00 0.00 C ATOM 126 C GLN A 9 84.663 3.291 31.075 1.00 0.00 C ATOM 127 O GLN A 9 84.900 4.302 30.443 1.00 0.00 O ATOM 128 CB GLN A 9 86.811 2.238 31.807 1.00 0.00 C ATOM 129 CG GLN A 9 86.423 2.355 33.282 1.00 0.00 C ATOM 130 CD GLN A 9 87.683 2.543 34.129 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.785 2.401 33.638 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.565 2.863 35.388 1.00 0.00 N ATOM 0 H GLN A 9 86.941 1.908 29.344 1.00 0.00 H new ATOM 0 HA GLN A 9 85.004 1.174 31.307 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.488 1.395 31.665 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.345 3.133 31.489 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.747 3.198 33.425 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.888 1.460 33.600 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.639 2.982 35.799 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.398 2.994 35.961 1.00 0.00 H new ATOM 141 N GLU A 10 83.642 3.219 31.884 1.00 0.00 N ATOM 142 CA GLU A 10 82.731 4.385 32.056 1.00 0.00 C ATOM 143 C GLU A 10 81.813 4.112 33.255 1.00 0.00 C ATOM 144 O GLU A 10 82.019 3.175 34.001 1.00 0.00 O ATOM 145 CB GLU A 10 81.899 4.586 30.769 1.00 0.00 C ATOM 146 CG GLU A 10 81.595 6.080 30.556 1.00 0.00 C ATOM 147 CD GLU A 10 82.813 6.774 29.941 1.00 0.00 C ATOM 148 OE1 GLU A 10 82.994 6.657 28.741 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.542 7.414 30.681 1.00 0.00 O ATOM 0 H GLU A 10 83.398 2.397 32.437 1.00 0.00 H new ATOM 0 HA GLU A 10 83.305 5.293 32.238 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.444 4.193 29.911 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.967 4.025 30.839 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.731 6.195 29.902 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.340 6.548 31.507 1.00 0.00 H new ATOM 156 N GLU A 11 80.810 4.920 33.454 1.00 0.00 N ATOM 157 CA GLU A 11 79.896 4.701 34.608 1.00 0.00 C ATOM 158 C GLU A 11 78.994 3.495 34.328 1.00 0.00 C ATOM 159 O GLU A 11 78.839 3.069 33.201 1.00 0.00 O ATOM 160 CB GLU A 11 79.042 5.955 34.824 1.00 0.00 C ATOM 161 CG GLU A 11 78.161 6.198 33.597 1.00 0.00 C ATOM 162 CD GLU A 11 77.395 7.512 33.770 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.032 8.511 34.061 1.00 0.00 O ATOM 164 OE2 GLU A 11 76.186 7.494 33.611 1.00 0.00 O ATOM 0 H GLU A 11 80.584 5.723 32.867 1.00 0.00 H new ATOM 0 HA GLU A 11 80.481 4.505 35.507 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.421 5.835 35.711 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.684 6.818 34.999 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.775 6.239 32.697 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.462 5.372 33.469 1.00 0.00 H new ATOM 171 N HIS A 12 78.405 2.939 35.352 1.00 0.00 N ATOM 172 CA HIS A 12 77.518 1.753 35.161 1.00 0.00 C ATOM 173 C HIS A 12 76.215 2.189 34.480 1.00 0.00 C ATOM 174 O HIS A 12 75.199 2.362 35.122 1.00 0.00 O ATOM 175 CB HIS A 12 77.205 1.153 36.533 1.00 0.00 C ATOM 176 CG HIS A 12 76.407 -0.111 36.375 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.004 -1.341 36.129 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.059 -0.358 36.453 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.023 -2.264 36.074 1.00 0.00 C ATOM 180 NE2 HIS A 12 74.823 -1.715 36.264 1.00 0.00 N ATOM 0 H HIS A 12 78.500 3.256 36.317 1.00 0.00 H new ATOM 0 HA HIS A 12 78.015 1.012 34.534 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.132 0.943 37.066 1.00 0.00 H new ATOM 0 HB3 HIS A 12 76.647 1.871 37.134 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.299 0.387 36.633 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.188 -3.317 35.898 1.00 0.00 H new ATOM 0 HE2 HIS A 12 73.921 -2.191 36.270 1.00 0.00 H new ATOM 188 N GLU A 13 76.242 2.371 33.181 1.00 0.00 N ATOM 189 CA GLU A 13 75.012 2.804 32.441 1.00 0.00 C ATOM 190 C GLU A 13 74.370 1.597 31.736 1.00 0.00 C ATOM 191 O GLU A 13 74.486 0.470 32.177 1.00 0.00 O ATOM 192 CB GLU A 13 75.406 3.876 31.402 1.00 0.00 C ATOM 193 CG GLU A 13 74.262 4.882 31.214 1.00 0.00 C ATOM 194 CD GLU A 13 74.527 5.731 29.971 1.00 0.00 C ATOM 195 OE1 GLU A 13 75.685 5.892 29.622 1.00 0.00 O ATOM 196 OE2 GLU A 13 73.567 6.207 29.388 1.00 0.00 O ATOM 0 H GLU A 13 77.068 2.238 32.598 1.00 0.00 H new ATOM 0 HA GLU A 13 74.289 3.221 33.142 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.306 4.396 31.729 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.641 3.400 30.450 1.00 0.00 H new ATOM 0 HG2 GLU A 13 73.313 4.355 31.112 1.00 0.00 H new ATOM 0 HG3 GLU A 13 74.178 5.521 32.093 1.00 0.00 H new ATOM 203 N LYS A 14 73.691 1.835 30.643 1.00 0.00 N ATOM 204 CA LYS A 14 73.034 0.720 29.901 1.00 0.00 C ATOM 205 C LYS A 14 74.096 -0.160 29.240 1.00 0.00 C ATOM 206 O LYS A 14 73.932 -1.357 29.109 1.00 0.00 O ATOM 207 CB LYS A 14 72.112 1.298 28.821 1.00 0.00 C ATOM 208 CG LYS A 14 70.927 2.001 29.486 1.00 0.00 C ATOM 209 CD LYS A 14 70.000 2.581 28.416 1.00 0.00 C ATOM 210 CE LYS A 14 68.824 3.284 29.095 1.00 0.00 C ATOM 211 NZ LYS A 14 68.064 4.076 28.087 1.00 0.00 N ATOM 0 H LYS A 14 73.564 2.760 30.231 1.00 0.00 H new ATOM 0 HA LYS A 14 72.451 0.120 30.600 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.662 2.002 28.196 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.756 0.502 28.167 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.379 1.296 30.112 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.285 2.796 30.140 1.00 0.00 H new ATOM 0 HD2 LYS A 14 70.546 3.285 27.788 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.637 1.787 27.764 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.169 2.549 29.563 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.187 3.938 29.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.265 4.553 28.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 68.691 4.787 27.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.705 3.441 27.346 1.00 0.00 H new ATOM 225 N TYR A 15 75.178 0.427 28.804 1.00 0.00 N ATOM 226 CA TYR A 15 76.241 -0.374 28.133 1.00 0.00 C ATOM 227 C TYR A 15 76.768 -1.444 29.093 1.00 0.00 C ATOM 228 O TYR A 15 77.021 -2.565 28.701 1.00 0.00 O ATOM 229 CB TYR A 15 77.392 0.556 27.726 1.00 0.00 C ATOM 230 CG TYR A 15 77.025 1.294 26.461 1.00 0.00 C ATOM 231 CD1 TYR A 15 77.279 0.715 25.212 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.426 2.556 26.540 1.00 0.00 C ATOM 233 CE1 TYR A 15 76.935 1.400 24.041 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.082 3.242 25.371 1.00 0.00 C ATOM 235 CZ TYR A 15 76.336 2.664 24.120 1.00 0.00 C ATOM 236 OH TYR A 15 75.997 3.341 22.966 1.00 0.00 O ATOM 0 H TYR A 15 75.371 1.425 28.883 1.00 0.00 H new ATOM 0 HA TYR A 15 75.826 -0.858 27.249 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.599 1.267 28.526 1.00 0.00 H new ATOM 0 HB3 TYR A 15 78.302 -0.023 27.570 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.740 -0.260 25.152 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.229 3.001 27.504 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.131 0.954 23.077 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.621 4.217 25.432 1.00 0.00 H new ATOM 0 HH TYR A 15 75.591 4.202 23.199 1.00 0.00 H new ATOM 246 N HIS A 16 76.933 -1.118 30.346 1.00 0.00 N ATOM 247 CA HIS A 16 77.441 -2.139 31.304 1.00 0.00 C ATOM 248 C HIS A 16 76.472 -3.321 31.347 1.00 0.00 C ATOM 249 O HIS A 16 76.881 -4.465 31.384 1.00 0.00 O ATOM 250 CB HIS A 16 77.571 -1.520 32.705 1.00 0.00 C ATOM 251 CG HIS A 16 78.857 -0.745 32.809 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.601 -0.699 33.984 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.553 0.008 31.895 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.689 0.058 33.745 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.705 0.511 32.489 1.00 0.00 N ATOM 0 H HIS A 16 76.740 -0.199 30.744 1.00 0.00 H new ATOM 0 HA HIS A 16 78.421 -2.486 30.978 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.724 -0.863 32.901 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.547 -2.304 33.462 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.252 0.182 30.873 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.453 0.272 34.478 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.414 1.102 32.056 1.00 0.00 H new ATOM 263 N SER A 17 75.192 -3.065 31.334 1.00 0.00 N ATOM 264 CA SER A 17 74.223 -4.194 31.366 1.00 0.00 C ATOM 265 C SER A 17 74.411 -5.045 30.110 1.00 0.00 C ATOM 266 O SER A 17 74.462 -6.257 30.173 1.00 0.00 O ATOM 267 CB SER A 17 72.795 -3.647 31.411 1.00 0.00 C ATOM 268 OG SER A 17 72.489 -3.024 30.170 1.00 0.00 O ATOM 0 H SER A 17 74.780 -2.133 31.303 1.00 0.00 H new ATOM 0 HA SER A 17 74.397 -4.804 32.253 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.090 -4.455 31.609 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.694 -2.930 32.225 1.00 0.00 H new ATOM 0 HG SER A 17 72.976 -2.177 30.100 1.00 0.00 H new ATOM 274 N ASN A 18 74.526 -4.416 28.967 1.00 0.00 N ATOM 275 CA ASN A 18 74.726 -5.181 27.697 1.00 0.00 C ATOM 276 C ASN A 18 76.213 -5.181 27.335 1.00 0.00 C ATOM 277 O ASN A 18 76.686 -4.322 26.618 1.00 0.00 O ATOM 278 CB ASN A 18 73.924 -4.515 26.578 1.00 0.00 C ATOM 279 CG ASN A 18 72.431 -4.732 26.830 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.047 -5.682 27.484 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.568 -3.887 26.339 1.00 0.00 N ATOM 0 H ASN A 18 74.490 -3.402 28.858 1.00 0.00 H new ATOM 0 HA ASN A 18 74.386 -6.208 27.826 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.147 -3.449 26.540 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.207 -4.935 25.613 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.571 -4.023 26.504 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.890 -3.090 25.790 1.00 0.00 H new ATOM 288 N TRP A 19 76.953 -6.137 27.823 1.00 0.00 N ATOM 289 CA TRP A 19 78.407 -6.189 27.506 1.00 0.00 C ATOM 290 C TRP A 19 78.610 -6.559 26.031 1.00 0.00 C ATOM 291 O TRP A 19 79.596 -6.195 25.424 1.00 0.00 O ATOM 292 CB TRP A 19 79.108 -7.208 28.413 1.00 0.00 C ATOM 293 CG TRP A 19 78.634 -8.593 28.109 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.689 -9.263 28.808 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.074 -9.491 27.050 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.523 -10.516 28.249 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.354 -10.704 27.162 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.019 -9.373 26.015 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.565 -11.763 26.278 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.232 -10.436 25.125 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.508 -11.629 25.256 1.00 0.00 C ATOM 0 H TRP A 19 76.613 -6.885 28.428 1.00 0.00 H new ATOM 0 HA TRP A 19 78.844 -5.206 27.683 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.187 -7.147 28.272 1.00 0.00 H new ATOM 0 HB3 TRP A 19 78.909 -6.971 29.458 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.152 -8.881 29.663 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.867 -11.216 28.596 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.584 -8.459 25.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.003 -12.679 26.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.959 -10.334 24.333 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.679 -12.444 24.568 1.00 0.00 H new ATOM 312 N ARG A 20 77.693 -7.288 25.453 1.00 0.00 N ATOM 313 CA ARG A 20 77.848 -7.685 24.021 1.00 0.00 C ATOM 314 C ARG A 20 77.916 -6.441 23.136 1.00 0.00 C ATOM 315 O ARG A 20 78.682 -6.379 22.194 1.00 0.00 O ATOM 316 CB ARG A 20 76.644 -8.525 23.591 1.00 0.00 C ATOM 317 CG ARG A 20 76.695 -9.887 24.279 1.00 0.00 C ATOM 318 CD ARG A 20 75.490 -10.722 23.846 1.00 0.00 C ATOM 319 NE ARG A 20 75.507 -12.028 24.560 1.00 0.00 N ATOM 320 CZ ARG A 20 74.436 -12.769 24.588 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.351 -12.372 23.979 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.447 -13.908 25.225 1.00 0.00 N ATOM 0 H ARG A 20 76.845 -7.626 25.908 1.00 0.00 H new ATOM 0 HA ARG A 20 78.767 -8.261 23.914 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.718 -8.011 23.850 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.646 -8.653 22.509 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.620 -10.403 24.021 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.693 -9.760 25.362 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.566 -10.187 24.066 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.515 -10.884 22.768 1.00 0.00 H new ATOM 0 HE ARG A 20 76.357 -12.343 25.027 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.342 -11.482 23.481 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.512 -12.952 24.001 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.294 -14.218 25.701 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.608 -14.488 25.247 1.00 0.00 H new ATOM 336 N ALA A 21 77.122 -5.450 23.424 1.00 0.00 N ATOM 337 CA ALA A 21 77.145 -4.216 22.591 1.00 0.00 C ATOM 338 C ALA A 21 78.544 -3.598 22.641 1.00 0.00 C ATOM 339 O ALA A 21 79.056 -3.114 21.651 1.00 0.00 O ATOM 340 CB ALA A 21 76.123 -3.216 23.134 1.00 0.00 C ATOM 0 H ALA A 21 76.459 -5.440 24.199 1.00 0.00 H new ATOM 0 HA ALA A 21 76.894 -4.465 21.560 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.139 -2.312 22.525 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.127 -3.659 23.100 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.373 -2.963 24.164 1.00 0.00 H new ATOM 346 N MET A 22 79.161 -3.608 23.789 1.00 0.00 N ATOM 347 CA MET A 22 80.523 -3.018 23.915 1.00 0.00 C ATOM 348 C MET A 22 81.509 -3.769 23.014 1.00 0.00 C ATOM 349 O MET A 22 82.329 -3.176 22.346 1.00 0.00 O ATOM 350 CB MET A 22 80.984 -3.140 25.369 1.00 0.00 C ATOM 351 CG MET A 22 82.249 -2.307 25.588 1.00 0.00 C ATOM 352 SD MET A 22 83.049 -2.819 27.130 1.00 0.00 S ATOM 353 CE MET A 22 81.619 -2.620 28.218 1.00 0.00 C ATOM 0 H MET A 22 78.779 -4.001 24.649 1.00 0.00 H new ATOM 0 HA MET A 22 80.490 -1.971 23.614 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.194 -2.800 26.039 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.180 -4.185 25.611 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.933 -2.438 24.750 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.997 -1.247 25.631 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.960 -2.430 29.236 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.015 -1.780 27.875 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.019 -3.530 28.200 1.00 0.00 H new ATOM 363 N ALA A 23 81.443 -5.070 22.997 1.00 0.00 N ATOM 364 CA ALA A 23 82.390 -5.853 22.150 1.00 0.00 C ATOM 365 C ALA A 23 82.172 -5.519 20.669 1.00 0.00 C ATOM 366 O ALA A 23 83.111 -5.386 19.909 1.00 0.00 O ATOM 367 CB ALA A 23 82.147 -7.350 22.378 1.00 0.00 C ATOM 0 H ALA A 23 80.776 -5.627 23.532 1.00 0.00 H new ATOM 0 HA ALA A 23 83.414 -5.597 22.423 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.836 -7.928 21.762 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.311 -7.589 23.429 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.121 -7.598 22.106 1.00 0.00 H new ATOM 373 N SER A 24 80.944 -5.397 20.254 1.00 0.00 N ATOM 374 CA SER A 24 80.670 -5.089 18.822 1.00 0.00 C ATOM 375 C SER A 24 81.106 -3.660 18.498 1.00 0.00 C ATOM 376 O SER A 24 81.646 -3.390 17.443 1.00 0.00 O ATOM 377 CB SER A 24 79.172 -5.242 18.552 1.00 0.00 C ATOM 378 OG SER A 24 78.931 -5.125 17.155 1.00 0.00 O ATOM 0 H SER A 24 80.117 -5.497 20.843 1.00 0.00 H new ATOM 0 HA SER A 24 81.231 -5.780 18.192 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.823 -6.209 18.913 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.613 -4.479 19.094 1.00 0.00 H new ATOM 0 HG SER A 24 77.972 -5.224 16.979 1.00 0.00 H new ATOM 384 N ASP A 25 80.869 -2.740 19.390 1.00 0.00 N ATOM 385 CA ASP A 25 81.261 -1.325 19.125 1.00 0.00 C ATOM 386 C ASP A 25 82.777 -1.226 18.925 1.00 0.00 C ATOM 387 O ASP A 25 83.252 -0.495 18.080 1.00 0.00 O ATOM 388 CB ASP A 25 80.846 -0.453 20.311 1.00 0.00 C ATOM 389 CG ASP A 25 81.237 1.001 20.037 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.850 1.247 19.011 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.914 1.845 20.857 1.00 0.00 O ATOM 0 H ASP A 25 80.421 -2.905 20.291 1.00 0.00 H new ATOM 0 HA ASP A 25 80.760 -0.980 18.220 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.771 -0.527 20.472 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.330 -0.805 21.222 1.00 0.00 H new ATOM 396 N PHE A 26 83.540 -1.952 19.704 1.00 0.00 N ATOM 397 CA PHE A 26 85.032 -1.898 19.574 1.00 0.00 C ATOM 398 C PHE A 26 85.531 -3.104 18.771 1.00 0.00 C ATOM 399 O PHE A 26 86.715 -3.271 18.560 1.00 0.00 O ATOM 400 CB PHE A 26 85.664 -1.917 20.969 1.00 0.00 C ATOM 401 CG PHE A 26 85.412 -0.592 21.650 1.00 0.00 C ATOM 402 CD1 PHE A 26 86.298 0.475 21.452 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.296 -0.429 22.479 1.00 0.00 C ATOM 404 CE1 PHE A 26 86.065 1.703 22.083 1.00 0.00 C ATOM 405 CE2 PHE A 26 84.063 0.798 23.109 1.00 0.00 C ATOM 406 CZ PHE A 26 84.948 1.864 22.911 1.00 0.00 C ATOM 0 H PHE A 26 83.194 -2.582 20.427 1.00 0.00 H new ATOM 0 HA PHE A 26 85.314 -0.982 19.055 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.242 -2.729 21.561 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.736 -2.102 20.893 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.160 0.350 20.813 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.614 -1.252 22.632 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.747 2.526 21.931 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.201 0.923 23.748 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.769 2.811 23.397 1.00 0.00 H new ATOM 416 N ASN A 27 84.634 -3.940 18.316 1.00 0.00 N ATOM 417 CA ASN A 27 85.045 -5.131 17.512 1.00 0.00 C ATOM 418 C ASN A 27 86.055 -5.978 18.296 1.00 0.00 C ATOM 419 O ASN A 27 87.041 -6.438 17.752 1.00 0.00 O ATOM 420 CB ASN A 27 85.673 -4.671 16.191 1.00 0.00 C ATOM 421 CG ASN A 27 84.658 -3.832 15.413 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.888 -2.668 15.154 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.540 -4.379 15.024 1.00 0.00 N ATOM 0 H ASN A 27 83.629 -3.849 18.467 1.00 0.00 H new ATOM 0 HA ASN A 27 84.163 -5.737 17.303 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.572 -4.086 16.387 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.977 -5.535 15.600 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.858 -3.829 14.502 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.348 -5.357 15.242 1.00 0.00 H new ATOM 430 N LEU A 28 85.814 -6.191 19.568 1.00 0.00 N ATOM 431 CA LEU A 28 86.749 -7.013 20.405 1.00 0.00 C ATOM 432 C LEU A 28 86.005 -8.267 20.879 1.00 0.00 C ATOM 433 O LEU A 28 84.799 -8.248 21.019 1.00 0.00 O ATOM 434 CB LEU A 28 87.166 -6.191 21.628 1.00 0.00 C ATOM 435 CG LEU A 28 88.053 -5.018 21.193 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.153 -4.016 22.347 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.463 -5.516 20.813 1.00 0.00 C ATOM 0 H LEU A 28 85.002 -5.828 20.068 1.00 0.00 H new ATOM 0 HA LEU A 28 87.629 -7.294 19.826 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.282 -5.817 22.144 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.704 -6.822 22.335 1.00 0.00 H new ATOM 0 HG LEU A 28 87.610 -4.539 20.320 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.782 -3.178 22.048 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.157 -3.651 22.599 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.591 -4.505 23.217 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.078 -4.669 20.507 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.920 -6.004 21.673 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.388 -6.226 19.990 1.00 0.00 H new ATOM 449 N PRO A 29 86.700 -9.352 21.131 1.00 0.00 N ATOM 450 CA PRO A 29 86.045 -10.606 21.600 1.00 0.00 C ATOM 451 C PRO A 29 85.533 -10.456 23.046 1.00 0.00 C ATOM 452 O PRO A 29 86.105 -9.719 23.826 1.00 0.00 O ATOM 453 CB PRO A 29 87.161 -11.659 21.510 1.00 0.00 C ATOM 454 CG PRO A 29 88.432 -10.883 21.642 1.00 0.00 C ATOM 455 CD PRO A 29 88.162 -9.514 21.004 1.00 0.00 C ATOM 0 HA PRO A 29 85.170 -10.872 21.007 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.068 -12.402 22.302 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.122 -12.196 20.562 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.716 -10.776 22.689 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.254 -11.392 21.139 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.700 -8.719 21.520 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.479 -9.488 19.961 1.00 0.00 H new ATOM 463 N PRO A 30 84.473 -11.140 23.409 1.00 0.00 N ATOM 464 CA PRO A 30 83.911 -11.054 24.786 1.00 0.00 C ATOM 465 C PRO A 30 85.010 -11.045 25.858 1.00 0.00 C ATOM 466 O PRO A 30 84.780 -10.694 26.996 1.00 0.00 O ATOM 467 CB PRO A 30 83.057 -12.325 24.910 1.00 0.00 C ATOM 468 CG PRO A 30 82.652 -12.683 23.507 1.00 0.00 C ATOM 469 CD PRO A 30 83.697 -12.064 22.560 1.00 0.00 C ATOM 0 HA PRO A 30 83.348 -10.133 24.938 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.623 -13.133 25.372 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.183 -12.149 25.537 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.613 -13.765 23.382 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.656 -12.300 23.284 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.337 -12.830 22.121 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.220 -11.536 21.734 1.00 0.00 H new ATOM 477 N VAL A 31 86.194 -11.458 25.507 1.00 0.00 N ATOM 478 CA VAL A 31 87.292 -11.508 26.512 1.00 0.00 C ATOM 479 C VAL A 31 87.559 -10.115 27.088 1.00 0.00 C ATOM 480 O VAL A 31 87.619 -9.939 28.289 1.00 0.00 O ATOM 481 CB VAL A 31 88.558 -12.051 25.837 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.764 -11.901 26.770 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.354 -13.529 25.499 1.00 0.00 C ATOM 0 H VAL A 31 86.450 -11.763 24.568 1.00 0.00 H new ATOM 0 HA VAL A 31 87.000 -12.163 27.333 1.00 0.00 H new ATOM 0 HB VAL A 31 88.747 -11.485 24.925 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.655 -12.290 26.278 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.912 -10.847 27.007 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.584 -12.458 27.689 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.251 -13.920 25.019 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.159 -14.088 26.414 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.506 -13.634 24.823 1.00 0.00 H new ATOM 493 N VAL A 32 87.724 -9.125 26.261 1.00 0.00 N ATOM 494 CA VAL A 32 87.990 -7.766 26.807 1.00 0.00 C ATOM 495 C VAL A 32 86.734 -7.250 27.516 1.00 0.00 C ATOM 496 O VAL A 32 86.806 -6.685 28.590 1.00 0.00 O ATOM 497 CB VAL A 32 88.383 -6.814 25.671 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.425 -5.370 26.191 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.765 -7.210 25.142 1.00 0.00 C ATOM 0 H VAL A 32 87.687 -9.194 25.244 1.00 0.00 H new ATOM 0 HA VAL A 32 88.812 -7.816 27.521 1.00 0.00 H new ATOM 0 HB VAL A 32 87.648 -6.881 24.869 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.705 -4.699 25.379 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.442 -5.091 26.570 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.158 -5.294 26.994 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.052 -6.537 24.334 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.496 -7.142 25.947 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.732 -8.233 24.768 1.00 0.00 H new ATOM 509 N ALA A 33 85.586 -7.440 26.927 1.00 0.00 N ATOM 510 CA ALA A 33 84.333 -6.960 27.575 1.00 0.00 C ATOM 511 C ALA A 33 84.101 -7.729 28.881 1.00 0.00 C ATOM 512 O ALA A 33 83.694 -7.165 29.878 1.00 0.00 O ATOM 513 CB ALA A 33 83.147 -7.168 26.627 1.00 0.00 C ATOM 0 H ALA A 33 85.461 -7.905 26.028 1.00 0.00 H new ATOM 0 HA ALA A 33 84.426 -5.897 27.798 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.233 -6.816 27.105 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.314 -6.608 25.707 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.049 -8.228 26.394 1.00 0.00 H new ATOM 519 N LYS A 34 84.363 -9.011 28.891 1.00 0.00 N ATOM 520 CA LYS A 34 84.161 -9.802 30.142 1.00 0.00 C ATOM 521 C LYS A 34 85.064 -9.266 31.258 1.00 0.00 C ATOM 522 O LYS A 34 84.667 -9.189 32.403 1.00 0.00 O ATOM 523 CB LYS A 34 84.490 -11.279 29.874 1.00 0.00 C ATOM 524 CG LYS A 34 83.367 -11.943 29.052 1.00 0.00 C ATOM 525 CD LYS A 34 82.229 -12.411 29.972 1.00 0.00 C ATOM 526 CE LYS A 34 81.229 -13.242 29.163 1.00 0.00 C ATOM 527 NZ LYS A 34 80.270 -13.905 30.092 1.00 0.00 N ATOM 0 H LYS A 34 84.707 -9.542 28.091 1.00 0.00 H new ATOM 0 HA LYS A 34 83.121 -9.711 30.456 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.435 -11.355 29.337 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.617 -11.807 30.819 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.981 -11.237 28.317 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.767 -12.792 28.499 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.631 -13.004 30.793 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.728 -11.551 30.416 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.691 -12.603 28.463 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.756 -13.991 28.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.590 -14.470 29.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.791 -14.526 30.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.759 -13.182 30.638 1.00 0.00 H new ATOM 541 N GLU A 35 86.281 -8.907 30.942 1.00 0.00 N ATOM 542 CA GLU A 35 87.203 -8.393 31.999 1.00 0.00 C ATOM 543 C GLU A 35 86.610 -7.135 32.642 1.00 0.00 C ATOM 544 O GLU A 35 86.685 -6.950 33.841 1.00 0.00 O ATOM 545 CB GLU A 35 88.561 -8.057 31.371 1.00 0.00 C ATOM 546 CG GLU A 35 89.619 -7.882 32.469 1.00 0.00 C ATOM 547 CD GLU A 35 89.364 -6.578 33.227 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.995 -5.606 32.590 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.542 -6.573 34.435 1.00 0.00 O ATOM 0 H GLU A 35 86.675 -8.947 30.002 1.00 0.00 H new ATOM 0 HA GLU A 35 87.333 -9.157 32.765 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.862 -8.852 30.688 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.482 -7.143 30.782 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.586 -8.727 33.157 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.616 -7.869 32.028 1.00 0.00 H new ATOM 556 N ILE A 36 86.018 -6.271 31.862 1.00 0.00 N ATOM 557 CA ILE A 36 85.421 -5.034 32.444 1.00 0.00 C ATOM 558 C ILE A 36 84.302 -5.434 33.406 1.00 0.00 C ATOM 559 O ILE A 36 84.146 -4.868 34.468 1.00 0.00 O ATOM 560 CB ILE A 36 84.853 -4.163 31.319 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.006 -3.599 30.485 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.049 -3.001 31.913 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.454 -3.006 29.188 1.00 0.00 C ATOM 0 H ILE A 36 85.922 -6.367 30.851 1.00 0.00 H new ATOM 0 HA ILE A 36 86.182 -4.468 32.981 1.00 0.00 H new ATOM 0 HB ILE A 36 84.201 -4.770 30.691 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.537 -2.833 31.050 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.726 -4.386 30.260 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.648 -2.386 31.107 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.228 -3.395 32.511 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.699 -2.394 32.544 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.275 -2.604 28.594 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.942 -3.784 28.621 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.751 -2.207 29.424 1.00 0.00 H new ATOM 575 N VAL A 37 83.532 -6.421 33.040 1.00 0.00 N ATOM 576 CA VAL A 37 82.429 -6.882 33.929 1.00 0.00 C ATOM 577 C VAL A 37 83.025 -7.370 35.247 1.00 0.00 C ATOM 578 O VAL A 37 82.493 -7.130 36.313 1.00 0.00 O ATOM 579 CB VAL A 37 81.672 -8.025 33.242 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.718 -8.702 34.237 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.869 -7.457 32.066 1.00 0.00 C ATOM 0 H VAL A 37 83.620 -6.930 32.160 1.00 0.00 H new ATOM 0 HA VAL A 37 81.738 -6.062 34.126 1.00 0.00 H new ATOM 0 HB VAL A 37 82.386 -8.765 32.881 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.186 -9.512 33.738 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.290 -9.105 35.073 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.000 -7.971 34.608 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.328 -8.264 31.572 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.160 -6.716 32.434 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.548 -6.987 31.355 1.00 0.00 H new ATOM 591 N ALA A 38 84.129 -8.053 35.178 1.00 0.00 N ATOM 592 CA ALA A 38 84.774 -8.564 36.416 1.00 0.00 C ATOM 593 C ALA A 38 85.288 -7.385 37.248 1.00 0.00 C ATOM 594 O ALA A 38 85.298 -7.429 38.462 1.00 0.00 O ATOM 595 CB ALA A 38 85.943 -9.479 36.038 1.00 0.00 C ATOM 0 H ALA A 38 84.616 -8.281 34.311 1.00 0.00 H new ATOM 0 HA ALA A 38 84.048 -9.128 37.002 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.418 -9.855 36.944 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.573 -10.317 35.447 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.671 -8.917 35.453 1.00 0.00 H new ATOM 601 N SER A 39 85.732 -6.339 36.605 1.00 0.00 N ATOM 602 CA SER A 39 86.262 -5.169 37.363 1.00 0.00 C ATOM 603 C SER A 39 85.115 -4.387 38.011 1.00 0.00 C ATOM 604 O SER A 39 85.222 -3.939 39.135 1.00 0.00 O ATOM 605 CB SER A 39 87.018 -4.250 36.403 1.00 0.00 C ATOM 606 OG SER A 39 88.186 -4.914 35.938 1.00 0.00 O ATOM 0 H SER A 39 85.751 -6.244 35.590 1.00 0.00 H new ATOM 0 HA SER A 39 86.931 -5.528 38.145 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.380 -3.980 35.561 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.290 -3.323 36.907 1.00 0.00 H new ATOM 0 HG SER A 39 87.939 -5.567 35.250 1.00 0.00 H new ATOM 612 N CYS A 40 84.020 -4.222 37.324 1.00 0.00 N ATOM 613 CA CYS A 40 82.878 -3.470 37.924 1.00 0.00 C ATOM 614 C CYS A 40 82.141 -4.384 38.903 1.00 0.00 C ATOM 615 O CYS A 40 81.548 -5.372 38.519 1.00 0.00 O ATOM 616 CB CYS A 40 81.922 -3.011 36.819 1.00 0.00 C ATOM 617 SG CYS A 40 80.670 -1.907 37.522 1.00 0.00 S ATOM 0 H CYS A 40 83.864 -4.572 36.379 1.00 0.00 H new ATOM 0 HA CYS A 40 83.252 -2.593 38.452 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.477 -2.496 36.035 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.443 -3.874 36.357 1.00 0.00 H new ATOM 622 N ASP A 41 82.188 -4.072 40.169 1.00 0.00 N ATOM 623 CA ASP A 41 81.505 -4.932 41.176 1.00 0.00 C ATOM 624 C ASP A 41 80.003 -5.003 40.889 1.00 0.00 C ATOM 625 O ASP A 41 79.385 -6.039 41.028 1.00 0.00 O ATOM 626 CB ASP A 41 81.722 -4.348 42.574 1.00 0.00 C ATOM 627 CG ASP A 41 83.168 -4.592 43.011 1.00 0.00 C ATOM 628 OD1 ASP A 41 83.620 -5.719 42.888 1.00 0.00 O ATOM 629 OD2 ASP A 41 83.797 -3.649 43.461 1.00 0.00 O ATOM 0 H ASP A 41 82.670 -3.258 40.550 1.00 0.00 H new ATOM 0 HA ASP A 41 81.924 -5.937 41.121 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.508 -3.279 42.570 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.034 -4.809 43.283 1.00 0.00 H new ATOM 634 N LYS A 42 79.407 -3.909 40.507 1.00 0.00 N ATOM 635 CA LYS A 42 77.942 -3.925 40.236 1.00 0.00 C ATOM 636 C LYS A 42 77.617 -4.914 39.113 1.00 0.00 C ATOM 637 O LYS A 42 76.627 -5.616 39.165 1.00 0.00 O ATOM 638 CB LYS A 42 77.471 -2.526 39.836 1.00 0.00 C ATOM 639 CG LYS A 42 77.531 -1.601 41.055 1.00 0.00 C ATOM 640 CD LYS A 42 77.058 -0.200 40.657 1.00 0.00 C ATOM 641 CE LYS A 42 77.117 0.727 41.874 1.00 0.00 C ATOM 642 NZ LYS A 42 78.523 0.827 42.359 1.00 0.00 N ATOM 0 H LYS A 42 79.867 -3.009 40.371 1.00 0.00 H new ATOM 0 HA LYS A 42 77.425 -4.237 41.143 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.099 -2.133 39.037 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.453 -2.570 39.449 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.904 -1.995 41.855 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.549 -1.557 41.441 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.685 0.193 39.857 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.040 -0.245 40.271 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.742 1.716 41.609 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.475 0.344 42.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.626 1.674 42.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.759 -0.019 42.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.167 0.896 41.545 1.00 0.00 H new ATOM 656 N CYS A 43 78.430 -4.974 38.094 1.00 0.00 N ATOM 657 CA CYS A 43 78.145 -5.917 36.974 1.00 0.00 C ATOM 658 C CYS A 43 78.477 -7.350 37.401 1.00 0.00 C ATOM 659 O CYS A 43 77.821 -8.294 37.008 1.00 0.00 O ATOM 660 CB CYS A 43 79.007 -5.564 35.760 1.00 0.00 C ATOM 661 SG CYS A 43 78.724 -3.849 35.271 1.00 0.00 S ATOM 0 H CYS A 43 79.276 -4.414 37.988 1.00 0.00 H new ATOM 0 HA CYS A 43 77.089 -5.838 36.717 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.060 -5.713 35.997 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.770 -6.230 34.930 1.00 0.00 H new ATOM 666 N GLN A 44 79.511 -7.517 38.177 1.00 0.00 N ATOM 667 CA GLN A 44 79.917 -8.888 38.601 1.00 0.00 C ATOM 668 C GLN A 44 79.033 -9.382 39.752 1.00 0.00 C ATOM 669 O GLN A 44 78.216 -10.266 39.586 1.00 0.00 O ATOM 670 CB GLN A 44 81.375 -8.836 39.071 1.00 0.00 C ATOM 671 CG GLN A 44 81.857 -10.231 39.482 1.00 0.00 C ATOM 672 CD GLN A 44 83.279 -10.134 40.037 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.010 -9.091 39.751 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.728 -11.013 40.743 1.00 0.00 N ATOM 0 H GLN A 44 80.095 -6.762 38.537 1.00 0.00 H new ATOM 0 HA GLN A 44 79.806 -9.574 37.761 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.007 -8.447 38.272 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.467 -8.150 39.913 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.189 -10.652 40.234 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.835 -10.903 38.624 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.158 -11.828 40.967 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.676 -10.936 41.112 1.00 0.00 H new ATOM 683 N LEU A 45 79.206 -8.832 40.920 1.00 0.00 N ATOM 684 CA LEU A 45 78.396 -9.283 42.087 1.00 0.00 C ATOM 685 C LEU A 45 76.961 -8.770 41.953 1.00 0.00 C ATOM 686 O LEU A 45 76.731 -7.627 41.609 1.00 0.00 O ATOM 687 CB LEU A 45 79.015 -8.737 43.378 1.00 0.00 C ATOM 688 CG LEU A 45 80.470 -9.212 43.503 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.080 -8.632 44.782 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.529 -10.751 43.558 1.00 0.00 C ATOM 0 H LEU A 45 79.875 -8.088 41.119 1.00 0.00 H new ATOM 0 HA LEU A 45 78.386 -10.373 42.118 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.978 -7.648 43.377 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.438 -9.074 44.239 1.00 0.00 H new ATOM 0 HG LEU A 45 81.032 -8.870 42.634 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.113 -8.966 44.876 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.053 -7.543 44.737 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.508 -8.973 45.645 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.567 -11.072 43.647 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.964 -11.106 44.420 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.098 -11.164 42.646 1.00 0.00 H new ATOM 702 N LYS A 46 75.991 -9.603 42.232 1.00 0.00 N ATOM 703 CA LYS A 46 74.570 -9.161 42.130 1.00 0.00 C ATOM 704 C LYS A 46 74.140 -8.567 43.472 1.00 0.00 C ATOM 705 O LYS A 46 73.114 -7.924 43.579 1.00 0.00 O ATOM 706 CB LYS A 46 73.674 -10.363 41.796 1.00 0.00 C ATOM 707 CG LYS A 46 73.896 -10.818 40.340 1.00 0.00 C ATOM 708 CD LYS A 46 75.105 -11.758 40.252 1.00 0.00 C ATOM 709 CE LYS A 46 75.219 -12.305 38.829 1.00 0.00 C ATOM 710 NZ LYS A 46 75.524 -11.187 37.891 1.00 0.00 N ATOM 0 H LYS A 46 76.123 -10.571 42.526 1.00 0.00 H new ATOM 0 HA LYS A 46 74.475 -8.414 41.342 1.00 0.00 H new ATOM 0 HB2 LYS A 46 73.892 -11.186 42.477 1.00 0.00 H new ATOM 0 HB3 LYS A 46 72.628 -10.095 41.943 1.00 0.00 H new ATOM 0 HG2 LYS A 46 73.005 -11.326 39.971 1.00 0.00 H new ATOM 0 HG3 LYS A 46 74.055 -9.949 39.701 1.00 0.00 H new ATOM 0 HD2 LYS A 46 76.016 -11.224 40.522 1.00 0.00 H new ATOM 0 HD3 LYS A 46 74.994 -12.578 40.961 1.00 0.00 H new ATOM 0 HE2 LYS A 46 76.004 -13.060 38.780 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.288 -12.793 38.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 75.850 -11.575 36.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 74.666 -10.619 37.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 76.269 -10.586 38.298 1.00 0.00 H new ATOM 724 N GLY A 47 74.920 -8.773 44.496 1.00 0.00 N ATOM 725 CA GLY A 47 74.567 -8.216 45.831 1.00 0.00 C ATOM 726 C GLY A 47 73.555 -9.128 46.526 1.00 0.00 C ATOM 727 O GLY A 47 73.226 -8.932 47.678 1.00 0.00 O ATOM 0 H GLY A 47 75.790 -9.305 44.465 1.00 0.00 H new ATOM 0 HA2 GLY A 47 75.464 -8.121 46.443 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.150 -7.215 45.718 1.00 0.00 H new ATOM 731 N GLU A 48 73.052 -10.122 45.843 1.00 0.00 N ATOM 732 CA GLU A 48 72.060 -11.026 46.492 1.00 0.00 C ATOM 733 C GLU A 48 72.702 -11.685 47.710 1.00 0.00 C ATOM 734 O GLU A 48 72.087 -11.830 48.747 1.00 0.00 O ATOM 735 CB GLU A 48 71.616 -12.112 45.507 1.00 0.00 C ATOM 736 CG GLU A 48 70.519 -12.966 46.152 1.00 0.00 C ATOM 737 CD GLU A 48 70.057 -14.039 45.165 1.00 0.00 C ATOM 738 OE1 GLU A 48 69.989 -13.740 43.985 1.00 0.00 O ATOM 739 OE2 GLU A 48 69.778 -15.141 45.606 1.00 0.00 O ATOM 0 H GLU A 48 73.282 -10.345 44.875 1.00 0.00 H new ATOM 0 HA GLU A 48 71.191 -10.443 46.798 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.245 -11.656 44.589 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.465 -12.738 45.232 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.896 -13.433 47.062 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.677 -12.337 46.441 1.00 0.00 H new ATOM 746 N ALA A 49 73.941 -12.080 47.593 1.00 0.00 N ATOM 747 CA ALA A 49 74.629 -12.731 48.742 1.00 0.00 C ATOM 748 C ALA A 49 73.722 -13.811 49.340 1.00 0.00 C ATOM 749 O ALA A 49 72.661 -14.102 48.827 1.00 0.00 O ATOM 750 CB ALA A 49 74.947 -11.679 49.806 1.00 0.00 C ATOM 0 H ALA A 49 74.506 -11.979 46.750 1.00 0.00 H new ATOM 0 HA ALA A 49 75.555 -13.191 48.398 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.451 -12.154 50.648 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.596 -10.914 49.379 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.021 -11.218 50.150 1.00 0.00 H new ATOM 756 N MET A 50 74.140 -14.411 50.420 1.00 0.00 N ATOM 757 CA MET A 50 73.313 -15.474 51.063 1.00 0.00 C ATOM 758 C MET A 50 72.387 -14.842 52.111 1.00 0.00 C ATOM 759 O MET A 50 71.614 -15.517 52.758 1.00 0.00 O ATOM 760 CB MET A 50 74.245 -16.491 51.731 1.00 0.00 C ATOM 761 CG MET A 50 73.442 -17.700 52.219 1.00 0.00 C ATOM 762 SD MET A 50 74.577 -19.044 52.643 1.00 0.00 S ATOM 763 CE MET A 50 73.385 -20.069 53.540 1.00 0.00 C ATOM 0 H MET A 50 75.024 -14.210 50.888 1.00 0.00 H new ATOM 0 HA MET A 50 72.703 -15.977 50.312 1.00 0.00 H new ATOM 0 HB2 MET A 50 75.010 -16.814 51.025 1.00 0.00 H new ATOM 0 HB3 MET A 50 74.762 -16.026 52.570 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.844 -17.426 53.088 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.748 -18.026 51.444 1.00 0.00 H new ATOM 0 HE1 MET A 50 73.879 -20.972 53.899 1.00 0.00 H new ATOM 0 HE2 MET A 50 72.990 -19.510 54.388 1.00 0.00 H new ATOM 0 HE3 MET A 50 72.567 -20.344 52.874 1.00 0.00 H new ATOM 773 N HIS A 51 72.462 -13.550 52.292 1.00 0.00 N ATOM 774 CA HIS A 51 71.592 -12.895 53.312 1.00 0.00 C ATOM 775 C HIS A 51 70.118 -13.145 52.975 1.00 0.00 C ATOM 776 O HIS A 51 69.258 -13.062 53.829 1.00 0.00 O ATOM 777 CB HIS A 51 71.870 -11.383 53.340 1.00 0.00 C ATOM 778 CG HIS A 51 71.258 -10.709 52.137 1.00 0.00 C ATOM 779 ND1 HIS A 51 72.003 -10.357 51.019 1.00 0.00 N ATOM 780 CD2 HIS A 51 69.969 -10.312 51.868 1.00 0.00 C ATOM 781 CE1 HIS A 51 71.165 -9.775 50.141 1.00 0.00 C ATOM 782 NE2 HIS A 51 69.917 -9.725 50.610 1.00 0.00 N ATOM 0 H HIS A 51 73.084 -12.923 51.781 1.00 0.00 H new ATOM 0 HA HIS A 51 71.811 -13.317 54.293 1.00 0.00 H new ATOM 0 HB2 HIS A 51 71.462 -10.950 54.253 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.945 -11.206 53.355 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.127 -10.437 52.532 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.466 -9.395 49.176 1.00 0.00 H new ATOM 0 HE2 HIS A 51 69.097 -9.337 50.143 1.00 0.00 H new ATOM 790 N GLY A 52 69.820 -13.446 51.741 1.00 0.00 N ATOM 791 CA GLY A 52 68.402 -13.696 51.355 1.00 0.00 C ATOM 792 C GLY A 52 67.756 -14.664 52.349 1.00 0.00 C ATOM 793 O GLY A 52 67.287 -14.269 53.400 1.00 0.00 O ATOM 0 H GLY A 52 70.497 -13.530 50.983 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.850 -12.757 51.337 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.358 -14.111 50.348 1.00 0.00 H new ATOM 797 N GLN A 53 67.726 -15.929 52.031 1.00 0.00 N ATOM 798 CA GLN A 53 67.111 -16.914 52.964 1.00 0.00 C ATOM 799 C GLN A 53 68.099 -17.220 54.088 1.00 0.00 C ATOM 800 O GLN A 53 69.296 -17.231 53.886 1.00 0.00 O ATOM 801 CB GLN A 53 66.791 -18.206 52.208 1.00 0.00 C ATOM 802 CG GLN A 53 65.722 -17.933 51.142 1.00 0.00 C ATOM 803 CD GLN A 53 66.376 -17.288 49.916 1.00 0.00 C ATOM 804 OE1 GLN A 53 66.118 -16.141 49.610 1.00 0.00 O ATOM 805 NE2 GLN A 53 67.222 -17.980 49.204 1.00 0.00 N ATOM 0 H GLN A 53 68.100 -16.322 51.167 1.00 0.00 H new ATOM 0 HA GLN A 53 66.192 -16.500 53.379 1.00 0.00 H new ATOM 0 HB2 GLN A 53 67.694 -18.597 51.739 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.438 -18.967 52.904 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.231 -18.864 50.858 1.00 0.00 H new ATOM 0 HG3 GLN A 53 64.951 -17.276 51.545 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.438 -18.943 49.462 1.00 0.00 H new ATOM 0 HE22 GLN A 53 67.668 -17.558 48.389 1.00 0.00 H new ATOM 814 N VAL A 54 67.602 -17.473 55.273 1.00 0.00 N ATOM 815 CA VAL A 54 68.501 -17.787 56.428 1.00 0.00 C ATOM 816 C VAL A 54 68.396 -19.277 56.755 1.00 0.00 C ATOM 817 O VAL A 54 67.329 -19.791 57.021 1.00 0.00 O ATOM 818 CB VAL A 54 68.066 -16.963 57.640 1.00 0.00 C ATOM 819 CG1 VAL A 54 68.938 -17.324 58.843 1.00 0.00 C ATOM 820 CG2 VAL A 54 68.233 -15.474 57.325 1.00 0.00 C ATOM 0 H VAL A 54 66.606 -17.476 55.492 1.00 0.00 H new ATOM 0 HA VAL A 54 69.532 -17.543 56.174 1.00 0.00 H new ATOM 0 HB VAL A 54 67.022 -17.177 57.869 1.00 0.00 H new ATOM 0 HG11 VAL A 54 68.628 -16.736 59.707 1.00 0.00 H new ATOM 0 HG12 VAL A 54 68.827 -18.385 59.067 1.00 0.00 H new ATOM 0 HG13 VAL A 54 69.982 -17.108 58.614 1.00 0.00 H new ATOM 0 HG21 VAL A 54 67.924 -14.883 58.187 1.00 0.00 H new ATOM 0 HG22 VAL A 54 69.278 -15.265 57.098 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.616 -15.212 56.465 1.00 0.00 H new ATOM 830 N ASP A 55 69.499 -19.978 56.729 1.00 0.00 N ATOM 831 CA ASP A 55 69.467 -21.439 57.034 1.00 0.00 C ATOM 832 C ASP A 55 69.619 -21.651 58.541 1.00 0.00 C ATOM 833 O ASP A 55 70.440 -20.972 59.136 1.00 0.00 O ATOM 834 CB ASP A 55 70.620 -22.133 56.304 1.00 0.00 C ATOM 835 CG ASP A 55 70.459 -23.649 56.420 1.00 0.00 C ATOM 836 OD1 ASP A 55 69.833 -24.087 57.371 1.00 0.00 O ATOM 837 OD2 ASP A 55 70.964 -24.346 55.556 1.00 0.00 O ATOM 838 OXT ASP A 55 68.912 -22.490 59.075 1.00 0.00 O ATOM 0 H ASP A 55 70.421 -19.602 56.510 1.00 0.00 H new ATOM 0 HA ASP A 55 68.517 -21.859 56.703 1.00 0.00 H new ATOM 0 HB2 ASP A 55 70.631 -21.837 55.255 1.00 0.00 H new ATOM 0 HB3 ASP A 55 71.574 -21.824 56.732 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.711 -14.593 22.017 1.00 0.00 N ATOM 845 CA PHE B 1 92.602 -14.246 22.949 1.00 0.00 C ATOM 846 C PHE B 1 91.954 -15.528 23.475 1.00 0.00 C ATOM 847 O PHE B 1 92.383 -16.096 24.462 1.00 0.00 O ATOM 848 CB PHE B 1 91.549 -13.417 22.209 1.00 0.00 C ATOM 849 CG PHE B 1 92.091 -12.035 21.916 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.005 -11.847 20.872 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.672 -10.941 22.684 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.499 -10.566 20.597 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.168 -9.661 22.410 1.00 0.00 C ATOM 854 CZ PHE B 1 93.080 -9.472 21.366 1.00 0.00 C ATOM 0 H1 PHE B 1 93.936 -13.769 21.423 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.552 -14.865 22.565 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.420 -15.387 21.412 1.00 0.00 H new ATOM 0 HA PHE B 1 93.002 -13.669 23.783 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.272 -13.913 21.279 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.644 -13.341 22.812 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.329 -12.690 20.279 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.966 -11.085 23.488 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.204 -10.421 19.791 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.846 -8.819 23.005 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.461 -8.484 21.153 1.00 0.00 H new ATOM 866 N LEU B 2 90.920 -15.986 22.826 1.00 0.00 N ATOM 867 CA LEU B 2 90.235 -17.227 23.282 1.00 0.00 C ATOM 868 C LEU B 2 91.216 -18.403 23.251 1.00 0.00 C ATOM 869 O LEU B 2 91.222 -19.242 24.129 1.00 0.00 O ATOM 870 CB LEU B 2 89.052 -17.517 22.352 1.00 0.00 C ATOM 871 CG LEU B 2 88.025 -16.374 22.441 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.069 -16.456 21.249 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.212 -16.478 23.742 1.00 0.00 C ATOM 0 H LEU B 2 90.518 -15.552 21.995 1.00 0.00 H new ATOM 0 HA LEU B 2 89.876 -17.092 24.302 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.403 -17.624 21.325 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.583 -18.461 22.629 1.00 0.00 H new ATOM 0 HG LEU B 2 88.560 -15.424 22.431 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.341 -15.647 21.310 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.635 -16.365 20.322 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.549 -17.414 21.265 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.491 -15.661 23.787 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.683 -17.431 23.765 1.00 0.00 H new ATOM 0 HD23 LEU B 2 87.885 -16.416 24.597 1.00 0.00 H new ATOM 885 N ASP B 3 92.040 -18.476 22.241 1.00 0.00 N ATOM 886 CA ASP B 3 93.013 -19.604 22.153 1.00 0.00 C ATOM 887 C ASP B 3 93.990 -19.555 23.330 1.00 0.00 C ATOM 888 O ASP B 3 94.332 -20.568 23.908 1.00 0.00 O ATOM 889 CB ASP B 3 93.799 -19.486 20.848 1.00 0.00 C ATOM 890 CG ASP B 3 92.901 -19.863 19.669 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.856 -21.037 19.337 1.00 0.00 O ATOM 892 OD2 ASP B 3 92.276 -18.974 19.116 1.00 0.00 O ATOM 0 H ASP B 3 92.082 -17.805 21.474 1.00 0.00 H new ATOM 0 HA ASP B 3 92.467 -20.547 22.181 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.168 -18.468 20.725 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.671 -20.140 20.877 1.00 0.00 H new ATOM 897 N GLY B 4 94.438 -18.387 23.693 1.00 0.00 N ATOM 898 CA GLY B 4 95.388 -18.277 24.836 1.00 0.00 C ATOM 899 C GLY B 4 94.694 -18.763 26.105 1.00 0.00 C ATOM 900 O GLY B 4 95.280 -19.424 26.941 1.00 0.00 O ATOM 0 H GLY B 4 94.188 -17.503 23.249 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.280 -18.872 24.643 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.714 -17.244 24.957 1.00 0.00 H new ATOM 904 N ILE B 5 93.446 -18.430 26.247 1.00 0.00 N ATOM 905 CA ILE B 5 92.676 -18.848 27.448 1.00 0.00 C ATOM 906 C ILE B 5 92.515 -20.372 27.476 1.00 0.00 C ATOM 907 O ILE B 5 92.597 -20.989 28.519 1.00 0.00 O ATOM 908 CB ILE B 5 91.306 -18.165 27.413 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.486 -16.671 27.704 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.377 -18.786 28.459 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.220 -15.908 27.312 1.00 0.00 C ATOM 0 H ILE B 5 92.918 -17.877 25.572 1.00 0.00 H new ATOM 0 HA ILE B 5 93.211 -18.551 28.350 1.00 0.00 H new ATOM 0 HB ILE B 5 90.860 -18.300 26.427 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.698 -16.521 28.762 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.341 -16.284 27.149 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.406 -18.291 28.423 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.251 -19.848 28.249 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.811 -18.662 29.451 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.355 -14.847 27.522 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.027 -16.046 26.248 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.375 -16.286 27.886 1.00 0.00 H new ATOM 923 N ASP B 6 92.274 -20.983 26.353 1.00 0.00 N ATOM 924 CA ASP B 6 92.092 -22.462 26.347 1.00 0.00 C ATOM 925 C ASP B 6 93.353 -23.147 26.873 1.00 0.00 C ATOM 926 O ASP B 6 93.288 -24.008 27.729 1.00 0.00 O ATOM 927 CB ASP B 6 91.814 -22.936 24.919 1.00 0.00 C ATOM 928 CG ASP B 6 91.630 -24.455 24.913 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.566 -25.144 25.286 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.561 -24.903 24.534 1.00 0.00 O ATOM 0 H ASP B 6 92.195 -20.528 25.443 1.00 0.00 H new ATOM 0 HA ASP B 6 91.251 -22.720 26.990 1.00 0.00 H new ATOM 0 HB2 ASP B 6 90.920 -22.449 24.530 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.639 -22.656 24.264 1.00 0.00 H new ATOM 935 N LYS B 7 94.501 -22.776 26.383 1.00 0.00 N ATOM 936 CA LYS B 7 95.752 -23.417 26.876 1.00 0.00 C ATOM 937 C LYS B 7 96.006 -22.990 28.322 1.00 0.00 C ATOM 938 O LYS B 7 96.418 -23.776 29.152 1.00 0.00 O ATOM 939 CB LYS B 7 96.929 -22.975 26.007 1.00 0.00 C ATOM 940 CG LYS B 7 96.800 -23.599 24.615 1.00 0.00 C ATOM 941 CD LYS B 7 98.011 -23.207 23.756 1.00 0.00 C ATOM 942 CE LYS B 7 98.038 -21.688 23.529 1.00 0.00 C ATOM 943 NZ LYS B 7 98.741 -21.025 24.665 1.00 0.00 N ATOM 0 H LYS B 7 94.628 -22.061 25.667 1.00 0.00 H new ATOM 0 HA LYS B 7 95.647 -24.501 26.826 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.949 -21.888 25.929 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.869 -23.279 26.468 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.737 -24.684 24.697 1.00 0.00 H new ATOM 0 HG3 LYS B 7 95.880 -23.261 24.139 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.931 -23.524 24.247 1.00 0.00 H new ATOM 0 HD3 LYS B 7 97.967 -23.724 22.797 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.545 -21.459 22.591 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.021 -21.305 23.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.057 -20.477 25.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.182 -21.747 25.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.475 -20.388 24.295 1.00 0.00 H new ATOM 957 N ALA B 8 95.760 -21.746 28.629 1.00 0.00 N ATOM 958 CA ALA B 8 95.982 -21.256 30.020 1.00 0.00 C ATOM 959 C ALA B 8 94.937 -21.865 30.953 1.00 0.00 C ATOM 960 O ALA B 8 95.172 -22.046 32.131 1.00 0.00 O ATOM 961 CB ALA B 8 95.867 -19.730 30.055 1.00 0.00 C ATOM 0 H ALA B 8 95.413 -21.045 27.974 1.00 0.00 H new ATOM 0 HA ALA B 8 96.978 -21.552 30.348 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.030 -19.376 31.073 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.616 -19.293 29.395 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.873 -19.432 29.722 1.00 0.00 H new ATOM 967 N GLN B 9 93.777 -22.170 30.439 1.00 0.00 N ATOM 968 CA GLN B 9 92.713 -22.752 31.304 1.00 0.00 C ATOM 969 C GLN B 9 93.198 -24.089 31.870 1.00 0.00 C ATOM 970 O GLN B 9 93.821 -24.877 31.187 1.00 0.00 O ATOM 971 CB GLN B 9 91.446 -22.978 30.472 1.00 0.00 C ATOM 972 CG GLN B 9 90.323 -23.498 31.373 1.00 0.00 C ATOM 973 CD GLN B 9 89.062 -23.722 30.538 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.998 -23.323 29.391 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.047 -24.349 31.067 1.00 0.00 N ATOM 0 H GLN B 9 93.521 -22.042 29.460 1.00 0.00 H new ATOM 0 HA GLN B 9 92.491 -22.068 32.123 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.141 -22.046 29.996 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.646 -23.693 29.674 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.627 -24.430 31.850 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.122 -22.783 32.171 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.100 -24.684 32.029 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.201 -24.504 30.518 1.00 0.00 H new ATOM 984 N GLU B 10 92.910 -24.347 33.115 1.00 0.00 N ATOM 985 CA GLU B 10 93.347 -25.628 33.739 1.00 0.00 C ATOM 986 C GLU B 10 92.633 -25.778 35.091 1.00 0.00 C ATOM 987 O GLU B 10 91.726 -25.033 35.406 1.00 0.00 O ATOM 988 CB GLU B 10 94.880 -25.614 33.933 1.00 0.00 C ATOM 989 CG GLU B 10 95.450 -27.036 33.793 1.00 0.00 C ATOM 990 CD GLU B 10 95.588 -27.397 32.311 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.556 -26.968 31.705 1.00 0.00 O ATOM 992 OE2 GLU B 10 94.724 -28.097 31.809 1.00 0.00 O ATOM 0 H GLU B 10 92.388 -23.723 33.730 1.00 0.00 H new ATOM 0 HA GLU B 10 93.091 -26.471 33.097 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.340 -24.956 33.196 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.125 -25.212 34.916 1.00 0.00 H new ATOM 0 HG2 GLU B 10 96.421 -27.098 34.284 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.795 -27.751 34.291 1.00 0.00 H new ATOM 999 N GLU B 11 93.025 -26.733 35.886 1.00 0.00 N ATOM 1000 CA GLU B 11 92.359 -26.923 37.204 1.00 0.00 C ATOM 1001 C GLU B 11 92.794 -25.814 38.167 1.00 0.00 C ATOM 1002 O GLU B 11 93.789 -25.148 37.956 1.00 0.00 O ATOM 1003 CB GLU B 11 92.744 -28.292 37.774 1.00 0.00 C ATOM 1004 CG GLU B 11 94.253 -28.341 38.029 1.00 0.00 C ATOM 1005 CD GLU B 11 94.647 -29.744 38.491 1.00 0.00 C ATOM 1006 OE1 GLU B 11 94.278 -30.694 37.820 1.00 0.00 O ATOM 1007 OE2 GLU B 11 95.311 -29.845 39.509 1.00 0.00 O ATOM 0 H GLU B 11 93.778 -27.390 35.680 1.00 0.00 H new ATOM 0 HA GLU B 11 91.277 -26.877 37.077 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.203 -28.475 38.702 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.458 -29.080 37.077 1.00 0.00 H new ATOM 0 HG2 GLU B 11 94.795 -28.081 37.120 1.00 0.00 H new ATOM 0 HG3 GLU B 11 94.529 -27.607 38.786 1.00 0.00 H new ATOM 1014 N HIS B 12 92.048 -25.606 39.217 1.00 0.00 N ATOM 1015 CA HIS B 12 92.402 -24.536 40.195 1.00 0.00 C ATOM 1016 C HIS B 12 93.641 -24.957 40.994 1.00 0.00 C ATOM 1017 O HIS B 12 93.540 -25.413 42.116 1.00 0.00 O ATOM 1018 CB HIS B 12 91.222 -24.335 41.147 1.00 0.00 C ATOM 1019 CG HIS B 12 91.496 -23.185 42.077 1.00 0.00 C ATOM 1020 ND1 HIS B 12 91.253 -21.866 41.719 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.968 -23.144 43.366 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.571 -21.092 42.778 1.00 0.00 C ATOM 1023 NE2 HIS B 12 92.011 -21.824 43.802 1.00 0.00 N ATOM 0 H HIS B 12 91.204 -26.133 39.441 1.00 0.00 H new ATOM 0 HA HIS B 12 92.619 -23.607 39.668 1.00 0.00 H new ATOM 0 HB2 HIS B 12 90.313 -24.142 40.576 1.00 0.00 H new ATOM 0 HB3 HIS B 12 91.050 -25.245 41.722 1.00 0.00 H new ATOM 0 HD2 HIS B 12 92.261 -24.004 43.951 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.481 -20.016 42.794 1.00 0.00 H new ATOM 0 HE2 HIS B 12 92.316 -21.486 44.715 1.00 0.00 H new ATOM 1031 N GLU B 13 94.811 -24.813 40.419 1.00 0.00 N ATOM 1032 CA GLU B 13 96.071 -25.208 41.131 1.00 0.00 C ATOM 1033 C GLU B 13 96.770 -23.959 41.694 1.00 0.00 C ATOM 1034 O GLU B 13 96.142 -22.969 42.010 1.00 0.00 O ATOM 1035 CB GLU B 13 97.001 -25.932 40.136 1.00 0.00 C ATOM 1036 CG GLU B 13 97.828 -27.003 40.860 1.00 0.00 C ATOM 1037 CD GLU B 13 98.958 -27.481 39.947 1.00 0.00 C ATOM 1038 OE1 GLU B 13 98.793 -27.401 38.742 1.00 0.00 O ATOM 1039 OE2 GLU B 13 99.969 -27.920 40.470 1.00 0.00 O ATOM 0 H GLU B 13 94.949 -24.437 39.481 1.00 0.00 H new ATOM 0 HA GLU B 13 95.832 -25.874 41.960 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.410 -26.393 39.345 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.665 -25.211 39.659 1.00 0.00 H new ATOM 0 HG2 GLU B 13 98.240 -26.596 41.783 1.00 0.00 H new ATOM 0 HG3 GLU B 13 97.191 -27.843 41.138 1.00 0.00 H new ATOM 1046 N LYS B 14 98.072 -24.011 41.817 1.00 0.00 N ATOM 1047 CA LYS B 14 98.831 -22.845 42.356 1.00 0.00 C ATOM 1048 C LYS B 14 98.812 -21.699 41.342 1.00 0.00 C ATOM 1049 O LYS B 14 98.800 -20.538 41.703 1.00 0.00 O ATOM 1050 CB LYS B 14 100.282 -23.258 42.627 1.00 0.00 C ATOM 1051 CG LYS B 14 100.319 -24.249 43.791 1.00 0.00 C ATOM 1052 CD LYS B 14 101.765 -24.668 44.070 1.00 0.00 C ATOM 1053 CE LYS B 14 101.786 -25.667 45.230 1.00 0.00 C ATOM 1054 NZ LYS B 14 103.141 -26.280 45.338 1.00 0.00 N ATOM 0 H LYS B 14 98.644 -24.817 41.565 1.00 0.00 H new ATOM 0 HA LYS B 14 98.365 -22.514 43.284 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.715 -23.711 41.735 1.00 0.00 H new ATOM 0 HB3 LYS B 14 100.884 -22.380 42.863 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.884 -23.795 44.681 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.716 -25.126 43.554 1.00 0.00 H new ATOM 0 HD2 LYS B 14 102.204 -25.118 43.179 1.00 0.00 H new ATOM 0 HD3 LYS B 14 102.368 -23.794 44.316 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.528 -25.163 46.162 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.037 -26.442 45.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 103.153 -26.958 46.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 103.370 -26.775 44.452 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 103.846 -25.535 45.511 1.00 0.00 H new ATOM 1068 N TYR B 15 98.830 -22.016 40.077 1.00 0.00 N ATOM 1069 CA TYR B 15 98.833 -20.945 39.039 1.00 0.00 C ATOM 1070 C TYR B 15 97.577 -20.082 39.182 1.00 0.00 C ATOM 1071 O TYR B 15 97.629 -18.876 39.046 1.00 0.00 O ATOM 1072 CB TYR B 15 98.854 -21.589 37.647 1.00 0.00 C ATOM 1073 CG TYR B 15 100.257 -22.040 37.317 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.159 -21.148 36.728 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.653 -23.350 37.604 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.460 -21.567 36.424 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.953 -23.771 37.301 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.856 -22.879 36.711 1.00 0.00 C ATOM 1079 OH TYR B 15 104.139 -23.292 36.411 1.00 0.00 O ATOM 0 H TYR B 15 98.843 -22.970 39.716 1.00 0.00 H new ATOM 0 HA TYR B 15 99.716 -20.319 39.168 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.172 -22.439 37.618 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.506 -20.876 36.900 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.852 -20.136 36.508 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.955 -24.037 38.060 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.157 -20.879 35.969 1.00 0.00 H new ATOM 0 HE2 TYR B 15 102.259 -24.783 37.522 1.00 0.00 H new ATOM 0 HH TYR B 15 104.251 -24.229 36.675 1.00 0.00 H new ATOM 1089 N HIS B 16 96.449 -20.680 39.458 1.00 0.00 N ATOM 1090 CA HIS B 16 95.211 -19.867 39.604 1.00 0.00 C ATOM 1091 C HIS B 16 95.395 -18.866 40.747 1.00 0.00 C ATOM 1092 O HIS B 16 94.999 -17.722 40.648 1.00 0.00 O ATOM 1093 CB HIS B 16 94.016 -20.785 39.905 1.00 0.00 C ATOM 1094 CG HIS B 16 93.497 -21.389 38.626 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.142 -21.621 38.415 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.132 -21.799 37.480 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.009 -22.148 37.183 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.191 -22.277 36.575 1.00 0.00 N ATOM 0 H HIS B 16 96.333 -21.685 39.587 1.00 0.00 H new ATOM 0 HA HIS B 16 95.019 -19.329 38.676 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.317 -21.574 40.594 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.225 -20.218 40.396 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.197 -21.757 37.308 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.065 -22.431 36.742 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.367 -22.649 35.642 1.00 0.00 H new ATOM 1106 N SER B 17 95.998 -19.276 41.829 1.00 0.00 N ATOM 1107 CA SER B 17 96.201 -18.325 42.955 1.00 0.00 C ATOM 1108 C SER B 17 97.092 -17.175 42.481 1.00 0.00 C ATOM 1109 O SER B 17 96.812 -16.019 42.728 1.00 0.00 O ATOM 1110 CB SER B 17 96.869 -19.047 44.125 1.00 0.00 C ATOM 1111 OG SER B 17 98.205 -19.381 43.773 1.00 0.00 O ATOM 0 H SER B 17 96.355 -20.219 41.981 1.00 0.00 H new ATOM 0 HA SER B 17 95.239 -17.933 43.283 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.863 -18.411 45.010 1.00 0.00 H new ATOM 0 HB3 SER B 17 96.311 -19.949 44.376 1.00 0.00 H new ATOM 0 HG SER B 17 98.198 -20.012 43.023 1.00 0.00 H new ATOM 1117 N ASN B 18 98.160 -17.486 41.792 1.00 0.00 N ATOM 1118 CA ASN B 18 99.072 -16.415 41.284 1.00 0.00 C ATOM 1119 C ASN B 18 98.752 -16.135 39.814 1.00 0.00 C ATOM 1120 O ASN B 18 99.326 -16.727 38.921 1.00 0.00 O ATOM 1121 CB ASN B 18 100.521 -16.887 41.413 1.00 0.00 C ATOM 1122 CG ASN B 18 100.905 -16.934 42.892 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.333 -16.232 43.703 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.853 -17.742 43.283 1.00 0.00 N ATOM 0 H ASN B 18 98.441 -18.438 41.558 1.00 0.00 H new ATOM 0 HA ASN B 18 98.933 -15.503 41.865 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.636 -17.873 40.964 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.185 -16.212 40.874 1.00 0.00 H new ATOM 0 HD21 ASN B 18 102.113 -17.784 44.268 1.00 0.00 H new ATOM 0 HD22 ASN B 18 102.333 -18.331 42.603 1.00 0.00 H new ATOM 1131 N TRP B 19 97.842 -15.238 39.552 1.00 0.00 N ATOM 1132 CA TRP B 19 97.488 -14.923 38.140 1.00 0.00 C ATOM 1133 C TRP B 19 98.647 -14.183 37.462 1.00 0.00 C ATOM 1134 O TRP B 19 98.823 -14.259 36.261 1.00 0.00 O ATOM 1135 CB TRP B 19 96.214 -14.074 38.096 1.00 0.00 C ATOM 1136 CG TRP B 19 96.457 -12.731 38.705 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.131 -12.381 39.971 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.056 -11.552 38.095 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.490 -11.060 40.176 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.066 -10.507 39.050 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.587 -11.290 36.819 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.583 -9.247 38.747 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.108 -10.025 36.512 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.106 -9.004 37.474 1.00 0.00 C ATOM 0 H TRP B 19 97.328 -14.709 40.256 1.00 0.00 H new ATOM 0 HA TRP B 19 97.306 -15.853 37.602 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.884 -13.957 37.064 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.412 -14.583 38.632 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.667 -13.027 40.702 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.347 -10.557 41.052 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.593 -12.069 36.071 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.579 -8.465 39.491 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.513 -9.836 35.529 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.508 -8.031 37.231 1.00 0.00 H new ATOM 1155 N ARG B 20 99.433 -13.460 38.215 1.00 0.00 N ATOM 1156 CA ARG B 20 100.570 -12.709 37.602 1.00 0.00 C ATOM 1157 C ARG B 20 101.534 -13.682 36.921 1.00 0.00 C ATOM 1158 O ARG B 20 102.049 -13.413 35.854 1.00 0.00 O ATOM 1159 CB ARG B 20 101.330 -11.955 38.694 1.00 0.00 C ATOM 1160 CG ARG B 20 100.472 -10.807 39.220 1.00 0.00 C ATOM 1161 CD ARG B 20 101.237 -10.057 40.311 1.00 0.00 C ATOM 1162 NE ARG B 20 100.378 -8.972 40.861 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.692 -8.404 41.993 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.766 -8.777 42.634 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.934 -7.463 42.481 1.00 0.00 N ATOM 0 H ARG B 20 99.338 -13.356 39.225 1.00 0.00 H new ATOM 0 HA ARG B 20 100.173 -12.009 36.866 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.585 -12.634 39.508 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.268 -11.568 38.296 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.217 -10.127 38.407 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.534 -11.193 39.619 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.527 -10.745 41.106 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.156 -9.637 39.903 1.00 0.00 H new ATOM 0 HE ARG B 20 99.545 -8.673 40.353 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.360 -9.512 42.250 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.012 -8.333 43.519 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.096 -7.171 41.978 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.179 -7.018 43.366 1.00 0.00 H new ATOM 1179 N ALA B 21 101.784 -14.806 37.525 1.00 0.00 N ATOM 1180 CA ALA B 21 102.717 -15.788 36.905 1.00 0.00 C ATOM 1181 C ALA B 21 102.173 -16.213 35.538 1.00 0.00 C ATOM 1182 O ALA B 21 102.911 -16.370 34.586 1.00 0.00 O ATOM 1183 CB ALA B 21 102.842 -17.015 37.811 1.00 0.00 C ATOM 0 H ALA B 21 101.385 -15.089 38.420 1.00 0.00 H new ATOM 0 HA ALA B 21 103.698 -15.330 36.779 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.525 -17.734 37.358 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.228 -16.711 38.784 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.862 -17.475 37.938 1.00 0.00 H new ATOM 1189 N MET B 22 100.888 -16.402 35.440 1.00 0.00 N ATOM 1190 CA MET B 22 100.288 -16.823 34.142 1.00 0.00 C ATOM 1191 C MET B 22 100.537 -15.753 33.074 1.00 0.00 C ATOM 1192 O MET B 22 100.876 -16.054 31.949 1.00 0.00 O ATOM 1193 CB MET B 22 98.778 -17.000 34.329 1.00 0.00 C ATOM 1194 CG MET B 22 98.180 -17.691 33.102 1.00 0.00 C ATOM 1195 SD MET B 22 96.382 -17.473 33.105 1.00 0.00 S ATOM 1196 CE MET B 22 96.064 -18.108 34.769 1.00 0.00 C ATOM 0 H MET B 22 100.224 -16.283 36.205 1.00 0.00 H new ATOM 0 HA MET B 22 100.744 -17.760 33.822 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.580 -17.591 35.223 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.305 -16.029 34.478 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.607 -17.272 32.191 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.429 -18.752 33.111 1.00 0.00 H new ATOM 0 HE1 MET B 22 95.030 -18.446 34.838 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.733 -18.944 34.974 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.237 -17.318 35.499 1.00 0.00 H new ATOM 1206 N ALA B 23 100.364 -14.507 33.413 1.00 0.00 N ATOM 1207 CA ALA B 23 100.577 -13.425 32.408 1.00 0.00 C ATOM 1208 C ALA B 23 102.039 -13.414 31.947 1.00 0.00 C ATOM 1209 O ALA B 23 102.330 -13.235 30.781 1.00 0.00 O ATOM 1210 CB ALA B 23 100.231 -12.072 33.042 1.00 0.00 C ATOM 0 H ALA B 23 100.085 -14.189 34.341 1.00 0.00 H new ATOM 0 HA ALA B 23 99.935 -13.605 31.546 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.385 -11.278 32.311 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.188 -12.075 33.360 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.873 -11.900 33.906 1.00 0.00 H new ATOM 1216 N SER B 24 102.958 -13.590 32.853 1.00 0.00 N ATOM 1217 CA SER B 24 104.397 -13.575 32.466 1.00 0.00 C ATOM 1218 C SER B 24 104.733 -14.814 31.633 1.00 0.00 C ATOM 1219 O SER B 24 105.479 -14.745 30.676 1.00 0.00 O ATOM 1220 CB SER B 24 105.258 -13.556 33.729 1.00 0.00 C ATOM 1221 OG SER B 24 106.620 -13.357 33.370 1.00 0.00 O ATOM 0 H SER B 24 102.776 -13.744 33.845 1.00 0.00 H new ATOM 0 HA SER B 24 104.598 -12.685 31.869 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.926 -12.760 34.396 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.147 -14.495 34.272 1.00 0.00 H new ATOM 0 HG SER B 24 107.173 -13.343 34.179 1.00 0.00 H new ATOM 1227 N ASP B 25 104.197 -15.947 31.992 1.00 0.00 N ATOM 1228 CA ASP B 25 104.495 -17.191 31.226 1.00 0.00 C ATOM 1229 C ASP B 25 104.034 -17.039 29.773 1.00 0.00 C ATOM 1230 O ASP B 25 104.699 -17.475 28.854 1.00 0.00 O ATOM 1231 CB ASP B 25 103.768 -18.372 31.872 1.00 0.00 C ATOM 1232 CG ASP B 25 104.086 -19.653 31.099 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.768 -19.561 30.092 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.644 -20.706 31.528 1.00 0.00 O ATOM 0 H ASP B 25 103.565 -16.066 32.783 1.00 0.00 H new ATOM 0 HA ASP B 25 105.570 -17.369 31.240 1.00 0.00 H new ATOM 0 HB2 ASP B 25 104.076 -18.477 32.912 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.693 -18.194 31.874 1.00 0.00 H new ATOM 1239 N PHE B 26 102.894 -16.431 29.559 1.00 0.00 N ATOM 1240 CA PHE B 26 102.374 -16.257 28.163 1.00 0.00 C ATOM 1241 C PHE B 26 102.672 -14.839 27.669 1.00 0.00 C ATOM 1242 O PHE B 26 102.319 -14.474 26.566 1.00 0.00 O ATOM 1243 CB PHE B 26 100.862 -16.496 28.153 1.00 0.00 C ATOM 1244 CG PHE B 26 100.586 -17.968 28.354 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.556 -18.832 27.251 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.360 -18.470 29.642 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.300 -20.196 27.437 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.104 -19.834 29.827 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.075 -20.697 28.725 1.00 0.00 C ATOM 0 H PHE B 26 102.298 -16.046 30.291 1.00 0.00 H new ATOM 0 HA PHE B 26 102.863 -16.974 27.504 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.385 -15.914 28.942 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.436 -16.160 27.208 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.730 -18.446 26.258 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.383 -17.805 30.493 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.276 -20.862 26.587 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.929 -20.221 30.820 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.879 -21.749 28.868 1.00 0.00 H new ATOM 1259 N ASN B 27 103.323 -14.043 28.474 1.00 0.00 N ATOM 1260 CA ASN B 27 103.660 -12.649 28.053 1.00 0.00 C ATOM 1261 C ASN B 27 102.390 -11.894 27.645 1.00 0.00 C ATOM 1262 O ASN B 27 102.371 -11.194 26.651 1.00 0.00 O ATOM 1263 CB ASN B 27 104.636 -12.688 26.873 1.00 0.00 C ATOM 1264 CG ASN B 27 105.906 -13.432 27.291 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.234 -14.458 26.729 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.639 -12.953 28.257 1.00 0.00 N ATOM 0 H ASN B 27 103.638 -14.298 29.410 1.00 0.00 H new ATOM 0 HA ASN B 27 104.124 -12.131 28.893 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.174 -13.185 26.020 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.882 -11.675 26.556 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.489 -13.440 28.542 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.362 -12.092 28.728 1.00 0.00 H new ATOM 1273 N LEU B 28 101.332 -12.028 28.408 1.00 0.00 N ATOM 1274 CA LEU B 28 100.049 -11.320 28.084 1.00 0.00 C ATOM 1275 C LEU B 28 99.741 -10.328 29.210 1.00 0.00 C ATOM 1276 O LEU B 28 100.140 -10.537 30.338 1.00 0.00 O ATOM 1277 CB LEU B 28 98.923 -12.355 28.012 1.00 0.00 C ATOM 1278 CG LEU B 28 99.120 -13.261 26.790 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.221 -14.493 26.933 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.766 -12.507 25.492 1.00 0.00 C ATOM 0 H LEU B 28 101.301 -12.603 29.250 1.00 0.00 H new ATOM 0 HA LEU B 28 100.135 -10.794 27.133 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.911 -12.955 28.922 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.958 -11.851 27.950 1.00 0.00 H new ATOM 0 HG LEU B 28 100.165 -13.566 26.736 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.354 -15.143 26.068 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.489 -15.036 27.840 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.179 -14.178 26.993 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.912 -13.167 24.637 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.725 -12.187 25.530 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.411 -11.634 25.391 1.00 0.00 H new ATOM 1292 N PRO B 29 99.037 -9.257 28.928 1.00 0.00 N ATOM 1293 CA PRO B 29 98.694 -8.251 29.973 1.00 0.00 C ATOM 1294 C PRO B 29 97.658 -8.813 30.966 1.00 0.00 C ATOM 1295 O PRO B 29 96.844 -9.639 30.601 1.00 0.00 O ATOM 1296 CB PRO B 29 98.119 -7.072 29.171 1.00 0.00 C ATOM 1297 CG PRO B 29 97.580 -7.688 27.921 1.00 0.00 C ATOM 1298 CD PRO B 29 98.491 -8.881 27.608 1.00 0.00 C ATOM 0 HA PRO B 29 99.552 -7.964 30.581 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.336 -6.559 29.729 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.888 -6.333 28.948 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.548 -8.011 28.059 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.582 -6.970 27.101 1.00 0.00 H new ATOM 0 HD2 PRO B 29 97.935 -9.702 27.155 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.282 -8.609 26.910 1.00 0.00 H new ATOM 1306 N PRO B 30 97.679 -8.382 32.206 1.00 0.00 N ATOM 1307 CA PRO B 30 96.715 -8.871 33.231 1.00 0.00 C ATOM 1308 C PRO B 30 95.292 -8.998 32.667 1.00 0.00 C ATOM 1309 O PRO B 30 94.441 -9.642 33.242 1.00 0.00 O ATOM 1310 CB PRO B 30 96.761 -7.789 34.321 1.00 0.00 C ATOM 1311 CG PRO B 30 98.120 -7.156 34.208 1.00 0.00 C ATOM 1312 CD PRO B 30 98.613 -7.386 32.767 1.00 0.00 C ATOM 0 HA PRO B 30 96.976 -9.865 33.593 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.972 -7.051 34.174 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.612 -8.223 35.310 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.067 -6.090 34.431 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.811 -7.598 34.926 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.598 -6.461 32.191 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.639 -7.754 32.753 1.00 0.00 H new ATOM 1320 N VAL B 31 95.024 -8.364 31.563 1.00 0.00 N ATOM 1321 CA VAL B 31 93.653 -8.417 30.990 1.00 0.00 C ATOM 1322 C VAL B 31 93.258 -9.861 30.670 1.00 0.00 C ATOM 1323 O VAL B 31 92.196 -10.313 31.048 1.00 0.00 O ATOM 1324 CB VAL B 31 93.614 -7.568 29.714 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.288 -7.779 28.977 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.759 -6.092 30.090 1.00 0.00 C ATOM 0 H VAL B 31 95.696 -7.810 31.032 1.00 0.00 H new ATOM 0 HA VAL B 31 92.944 -8.024 31.718 1.00 0.00 H new ATOM 0 HB VAL B 31 94.432 -7.868 29.059 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.273 -7.170 28.073 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.184 -8.830 28.708 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.461 -7.487 29.624 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.732 -5.482 29.187 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.940 -5.802 30.748 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.708 -5.939 30.603 1.00 0.00 H new ATOM 1336 N VAL B 32 94.085 -10.590 29.980 1.00 0.00 N ATOM 1337 CA VAL B 32 93.710 -11.995 29.658 1.00 0.00 C ATOM 1338 C VAL B 32 93.708 -12.827 30.944 1.00 0.00 C ATOM 1339 O VAL B 32 92.820 -13.623 31.180 1.00 0.00 O ATOM 1340 CB VAL B 32 94.707 -12.584 28.653 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.465 -14.093 28.503 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.518 -11.897 27.298 1.00 0.00 C ATOM 0 H VAL B 32 94.992 -10.282 29.629 1.00 0.00 H new ATOM 0 HA VAL B 32 92.714 -12.013 29.215 1.00 0.00 H new ATOM 0 HB VAL B 32 95.724 -12.420 29.010 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.176 -14.506 27.788 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.597 -14.580 29.469 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.450 -14.265 28.146 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.224 -12.311 26.578 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.500 -12.063 26.945 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.695 -10.827 27.405 1.00 0.00 H new ATOM 1352 N ALA B 33 94.695 -12.648 31.780 1.00 0.00 N ATOM 1353 CA ALA B 33 94.743 -13.429 33.049 1.00 0.00 C ATOM 1354 C ALA B 33 93.557 -13.038 33.939 1.00 0.00 C ATOM 1355 O ALA B 33 92.945 -13.874 34.572 1.00 0.00 O ATOM 1356 CB ALA B 33 96.062 -13.152 33.778 1.00 0.00 C ATOM 0 H ALA B 33 95.468 -11.997 31.640 1.00 0.00 H new ATOM 0 HA ALA B 33 94.682 -14.493 32.822 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.093 -13.725 34.705 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.898 -13.445 33.142 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.135 -12.089 34.006 1.00 0.00 H new ATOM 1362 N LYS B 34 93.220 -11.774 33.990 1.00 0.00 N ATOM 1363 CA LYS B 34 92.068 -11.344 34.836 1.00 0.00 C ATOM 1364 C LYS B 34 90.778 -12.016 34.350 1.00 0.00 C ATOM 1365 O LYS B 34 89.947 -12.421 35.139 1.00 0.00 O ATOM 1366 CB LYS B 34 91.917 -9.819 34.762 1.00 0.00 C ATOM 1367 CG LYS B 34 93.021 -9.126 35.586 1.00 0.00 C ATOM 1368 CD LYS B 34 92.619 -9.048 37.068 1.00 0.00 C ATOM 1369 CE LYS B 34 93.630 -8.182 37.825 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.110 -7.896 39.193 1.00 0.00 N ATOM 0 H LYS B 34 93.692 -11.024 33.484 1.00 0.00 H new ATOM 0 HA LYS B 34 92.254 -11.641 35.868 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.971 -9.492 33.724 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.937 -9.526 35.138 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.957 -9.676 35.486 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.197 -8.123 35.198 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.619 -8.626 37.163 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.585 -10.048 37.500 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.590 -8.695 37.889 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.802 -7.250 37.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.795 -7.308 39.709 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.204 -7.390 39.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.967 -8.790 39.704 1.00 0.00 H new ATOM 1384 N GLU B 35 90.593 -12.126 33.060 1.00 0.00 N ATOM 1385 CA GLU B 35 89.344 -12.759 32.542 1.00 0.00 C ATOM 1386 C GLU B 35 89.239 -14.202 33.047 1.00 0.00 C ATOM 1387 O GLU B 35 88.175 -14.662 33.410 1.00 0.00 O ATOM 1388 CB GLU B 35 89.369 -12.754 31.009 1.00 0.00 C ATOM 1389 CG GLU B 35 87.968 -13.051 30.458 1.00 0.00 C ATOM 1390 CD GLU B 35 87.621 -14.521 30.700 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.505 -15.349 30.558 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.476 -14.794 31.022 1.00 0.00 O ATOM 0 H GLU B 35 91.249 -11.807 32.347 1.00 0.00 H new ATOM 0 HA GLU B 35 88.482 -12.194 32.897 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.713 -11.785 30.646 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.076 -13.500 30.647 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.232 -12.409 30.942 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.931 -12.829 29.391 1.00 0.00 H new ATOM 1399 N ILE B 36 90.330 -14.920 33.079 1.00 0.00 N ATOM 1400 CA ILE B 36 90.278 -16.329 33.568 1.00 0.00 C ATOM 1401 C ILE B 36 89.839 -16.321 35.033 1.00 0.00 C ATOM 1402 O ILE B 36 89.058 -17.146 35.465 1.00 0.00 O ATOM 1403 CB ILE B 36 91.664 -16.965 33.443 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.001 -17.152 31.962 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.677 -18.330 34.138 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.488 -17.478 31.812 1.00 0.00 C ATOM 0 H ILE B 36 91.252 -14.594 32.789 1.00 0.00 H new ATOM 0 HA ILE B 36 89.570 -16.907 32.974 1.00 0.00 H new ATOM 0 HB ILE B 36 92.401 -16.314 33.914 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.398 -17.956 31.540 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.759 -16.246 31.406 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.667 -18.776 34.045 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.434 -18.203 35.193 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.939 -18.983 33.672 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.727 -17.611 30.757 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.083 -16.660 32.218 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.716 -18.396 32.354 1.00 0.00 H new ATOM 1418 N VAL B 37 90.330 -15.384 35.795 1.00 0.00 N ATOM 1419 CA VAL B 37 89.941 -15.301 37.229 1.00 0.00 C ATOM 1420 C VAL B 37 88.434 -15.073 37.322 1.00 0.00 C ATOM 1421 O VAL B 37 87.759 -15.631 38.164 1.00 0.00 O ATOM 1422 CB VAL B 37 90.688 -14.133 37.887 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.101 -13.846 39.279 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.170 -14.499 38.021 1.00 0.00 C ATOM 0 H VAL B 37 90.987 -14.669 35.484 1.00 0.00 H new ATOM 0 HA VAL B 37 90.200 -16.227 37.743 1.00 0.00 H new ATOM 0 HB VAL B 37 90.580 -13.242 37.269 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.639 -13.016 39.736 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.047 -13.587 39.183 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.201 -14.732 39.906 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.708 -13.674 38.488 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.270 -15.392 38.638 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.588 -14.692 37.033 1.00 0.00 H new ATOM 1434 N ALA B 38 87.907 -14.257 36.460 1.00 0.00 N ATOM 1435 CA ALA B 38 86.446 -13.983 36.485 1.00 0.00 C ATOM 1436 C ALA B 38 85.682 -15.251 36.091 1.00 0.00 C ATOM 1437 O ALA B 38 84.594 -15.505 36.569 1.00 0.00 O ATOM 1438 CB ALA B 38 86.125 -12.859 35.495 1.00 0.00 C ATOM 0 H ALA B 38 88.427 -13.764 35.734 1.00 0.00 H new ATOM 0 HA ALA B 38 86.147 -13.680 37.488 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.054 -12.655 35.511 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.670 -11.958 35.778 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.422 -13.163 34.491 1.00 0.00 H new ATOM 1444 N SER B 39 86.235 -16.043 35.211 1.00 0.00 N ATOM 1445 CA SER B 39 85.527 -17.282 34.777 1.00 0.00 C ATOM 1446 C SER B 39 85.577 -18.342 35.883 1.00 0.00 C ATOM 1447 O SER B 39 84.609 -19.033 36.131 1.00 0.00 O ATOM 1448 CB SER B 39 86.209 -17.832 33.524 1.00 0.00 C ATOM 1449 OG SER B 39 86.011 -16.927 32.445 1.00 0.00 O ATOM 0 H SER B 39 87.144 -15.886 34.775 1.00 0.00 H new ATOM 0 HA SER B 39 84.485 -17.041 34.566 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.275 -17.970 33.707 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.799 -18.810 33.273 1.00 0.00 H new ATOM 0 HG SER B 39 86.624 -16.168 32.538 1.00 0.00 H new ATOM 1455 N CYS B 40 86.686 -18.474 36.556 1.00 0.00 N ATOM 1456 CA CYS B 40 86.773 -19.490 37.646 1.00 0.00 C ATOM 1457 C CYS B 40 86.070 -18.946 38.889 1.00 0.00 C ATOM 1458 O CYS B 40 86.502 -17.980 39.487 1.00 0.00 O ATOM 1459 CB CYS B 40 88.241 -19.786 37.964 1.00 0.00 C ATOM 1460 SG CYS B 40 88.340 -21.180 39.118 1.00 0.00 S ATOM 0 H CYS B 40 87.532 -17.926 36.401 1.00 0.00 H new ATOM 0 HA CYS B 40 86.290 -20.414 37.327 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.783 -20.020 37.047 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.715 -18.906 38.399 1.00 0.00 H new ATOM 1465 N ASP B 41 84.978 -19.547 39.276 1.00 0.00 N ATOM 1466 CA ASP B 41 84.237 -19.055 40.471 1.00 0.00 C ATOM 1467 C ASP B 41 85.128 -19.113 41.714 1.00 0.00 C ATOM 1468 O ASP B 41 85.097 -18.230 42.550 1.00 0.00 O ATOM 1469 CB ASP B 41 83.002 -19.929 40.697 1.00 0.00 C ATOM 1470 CG ASP B 41 81.950 -19.614 39.632 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.677 -18.443 39.425 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.434 -20.549 39.044 1.00 0.00 O ATOM 0 H ASP B 41 84.567 -20.359 38.815 1.00 0.00 H new ATOM 0 HA ASP B 41 83.937 -18.021 40.297 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.276 -20.983 40.651 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.593 -19.749 41.691 1.00 0.00 H new ATOM 1477 N LYS B 42 85.904 -20.148 41.856 1.00 0.00 N ATOM 1478 CA LYS B 42 86.774 -20.260 43.061 1.00 0.00 C ATOM 1479 C LYS B 42 87.747 -19.077 43.129 1.00 0.00 C ATOM 1480 O LYS B 42 88.011 -18.544 44.189 1.00 0.00 O ATOM 1481 CB LYS B 42 87.566 -21.569 43.017 1.00 0.00 C ATOM 1482 CG LYS B 42 86.614 -22.747 43.237 1.00 0.00 C ATOM 1483 CD LYS B 42 87.404 -24.057 43.197 1.00 0.00 C ATOM 1484 CE LYS B 42 86.455 -25.237 43.416 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.436 -25.268 42.329 1.00 0.00 N ATOM 0 H LYS B 42 85.975 -20.920 41.193 1.00 0.00 H new ATOM 0 HA LYS B 42 86.139 -20.250 43.947 1.00 0.00 H new ATOM 0 HB2 LYS B 42 88.070 -21.669 42.056 1.00 0.00 H new ATOM 0 HB3 LYS B 42 88.340 -21.565 43.784 1.00 0.00 H new ATOM 0 HG2 LYS B 42 86.108 -22.645 44.197 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.841 -22.752 42.468 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.911 -24.158 42.237 1.00 0.00 H new ATOM 0 HD3 LYS B 42 88.176 -24.051 43.966 1.00 0.00 H new ATOM 0 HE2 LYS B 42 87.017 -26.171 43.428 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.965 -25.147 44.385 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.327 -26.243 41.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.525 -24.928 42.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.744 -24.655 41.547 1.00 0.00 H new ATOM 1499 N CYS B 43 88.290 -18.665 42.015 1.00 0.00 N ATOM 1500 CA CYS B 43 89.249 -17.522 42.039 1.00 0.00 C ATOM 1501 C CYS B 43 88.489 -16.207 42.224 1.00 0.00 C ATOM 1502 O CYS B 43 88.963 -15.288 42.862 1.00 0.00 O ATOM 1503 CB CYS B 43 90.013 -17.452 40.715 1.00 0.00 C ATOM 1504 SG CYS B 43 90.857 -19.018 40.401 1.00 0.00 S ATOM 0 H CYS B 43 88.113 -19.067 41.095 1.00 0.00 H new ATOM 0 HA CYS B 43 89.944 -17.673 42.865 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.324 -17.232 39.900 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.739 -16.639 40.747 1.00 0.00 H new ATOM 1509 N GLN B 44 87.327 -16.102 41.643 1.00 0.00 N ATOM 1510 CA GLN B 44 86.547 -14.835 41.749 1.00 0.00 C ATOM 1511 C GLN B 44 85.827 -14.754 43.098 1.00 0.00 C ATOM 1512 O GLN B 44 86.181 -13.970 43.956 1.00 0.00 O ATOM 1513 CB GLN B 44 85.508 -14.812 40.620 1.00 0.00 C ATOM 1514 CG GLN B 44 84.703 -13.510 40.660 1.00 0.00 C ATOM 1515 CD GLN B 44 83.616 -13.552 39.584 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.650 -12.820 39.654 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.728 -14.390 38.589 1.00 0.00 N ATOM 0 H GLN B 44 86.882 -16.840 41.098 1.00 0.00 H new ATOM 0 HA GLN B 44 87.225 -13.986 41.668 1.00 0.00 H new ATOM 0 HB2 GLN B 44 86.007 -14.908 39.656 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.837 -15.665 40.718 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.252 -13.378 41.643 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.361 -12.657 40.495 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.539 -15.005 38.529 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.004 -14.429 37.871 1.00 0.00 H new ATOM 1526 N LEU B 45 84.806 -15.543 43.284 1.00 0.00 N ATOM 1527 CA LEU B 45 84.048 -15.497 44.567 1.00 0.00 C ATOM 1528 C LEU B 45 84.871 -16.145 45.682 1.00 0.00 C ATOM 1529 O LEU B 45 85.460 -17.192 45.503 1.00 0.00 O ATOM 1530 CB LEU B 45 82.726 -16.253 44.401 1.00 0.00 C ATOM 1531 CG LEU B 45 81.909 -15.640 43.255 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.608 -16.431 43.085 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.578 -14.166 43.563 1.00 0.00 C ATOM 0 H LEU B 45 84.463 -16.219 42.602 1.00 0.00 H new ATOM 0 HA LEU B 45 83.847 -14.458 44.830 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.923 -17.305 44.195 1.00 0.00 H new ATOM 0 HB3 LEU B 45 82.155 -16.211 45.328 1.00 0.00 H new ATOM 0 HG LEU B 45 82.494 -15.684 42.336 1.00 0.00 H new ATOM 0 HD11 LEU B 45 80.024 -16.000 42.272 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.842 -17.470 42.853 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.032 -16.387 44.009 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.998 -13.744 42.742 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.998 -14.108 44.484 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.503 -13.602 43.681 1.00 0.00 H new ATOM 1545 N LYS B 46 84.908 -15.535 46.839 1.00 0.00 N ATOM 1546 CA LYS B 46 85.684 -16.119 47.972 1.00 0.00 C ATOM 1547 C LYS B 46 84.779 -17.071 48.754 1.00 0.00 C ATOM 1548 O LYS B 46 85.232 -17.845 49.573 1.00 0.00 O ATOM 1549 CB LYS B 46 86.169 -14.998 48.904 1.00 0.00 C ATOM 1550 CG LYS B 46 87.287 -14.178 48.231 1.00 0.00 C ATOM 1551 CD LYS B 46 86.686 -13.097 47.325 1.00 0.00 C ATOM 1552 CE LYS B 46 87.807 -12.209 46.784 1.00 0.00 C ATOM 1553 NZ LYS B 46 88.694 -13.015 45.898 1.00 0.00 N ATOM 0 H LYS B 46 84.433 -14.657 47.047 1.00 0.00 H new ATOM 0 HA LYS B 46 86.547 -16.659 47.583 1.00 0.00 H new ATOM 0 HB2 LYS B 46 85.335 -14.344 49.160 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.536 -15.427 49.837 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.916 -13.715 48.992 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.928 -14.837 47.645 1.00 0.00 H new ATOM 0 HD2 LYS B 46 86.142 -13.558 46.501 1.00 0.00 H new ATOM 0 HD3 LYS B 46 85.968 -12.496 47.884 1.00 0.00 H new ATOM 0 HE2 LYS B 46 87.386 -11.370 46.230 1.00 0.00 H new ATOM 0 HE3 LYS B 46 88.383 -11.789 47.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.294 -12.378 45.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.295 -13.634 46.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.113 -13.596 45.261 1.00 0.00 H new ATOM 1567 N GLY B 47 83.500 -17.023 48.501 1.00 0.00 N ATOM 1568 CA GLY B 47 82.560 -17.928 49.218 1.00 0.00 C ATOM 1569 C GLY B 47 82.230 -17.354 50.597 1.00 0.00 C ATOM 1570 O GLY B 47 81.383 -17.868 51.301 1.00 0.00 O ATOM 0 H GLY B 47 83.065 -16.394 47.826 1.00 0.00 H new ATOM 0 HA2 GLY B 47 81.646 -18.050 48.637 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.005 -18.918 49.324 1.00 0.00 H new ATOM 1574 N GLU B 48 82.886 -16.297 50.997 1.00 0.00 N ATOM 1575 CA GLU B 48 82.591 -15.717 52.338 1.00 0.00 C ATOM 1576 C GLU B 48 81.123 -15.297 52.389 1.00 0.00 C ATOM 1577 O GLU B 48 80.447 -15.490 53.380 1.00 0.00 O ATOM 1578 CB GLU B 48 83.474 -14.490 52.586 1.00 0.00 C ATOM 1579 CG GLU B 48 83.238 -13.975 54.009 1.00 0.00 C ATOM 1580 CD GLU B 48 84.135 -12.764 54.273 1.00 0.00 C ATOM 1581 OE1 GLU B 48 85.263 -12.775 53.807 1.00 0.00 O ATOM 1582 OE2 GLU B 48 83.679 -11.848 54.937 1.00 0.00 O ATOM 0 H GLU B 48 83.606 -15.815 50.459 1.00 0.00 H new ATOM 0 HA GLU B 48 82.794 -16.465 53.105 1.00 0.00 H new ATOM 0 HB2 GLU B 48 84.524 -14.750 52.451 1.00 0.00 H new ATOM 0 HB3 GLU B 48 83.243 -13.709 51.861 1.00 0.00 H new ATOM 0 HG2 GLU B 48 82.191 -13.700 54.138 1.00 0.00 H new ATOM 0 HG3 GLU B 48 83.452 -14.763 54.732 1.00 0.00 H new ATOM 1589 N ALA B 49 80.625 -14.728 51.324 1.00 0.00 N ATOM 1590 CA ALA B 49 79.202 -14.293 51.305 1.00 0.00 C ATOM 1591 C ALA B 49 78.884 -13.519 52.588 1.00 0.00 C ATOM 1592 O ALA B 49 79.749 -13.252 53.398 1.00 0.00 O ATOM 1593 CB ALA B 49 78.297 -15.524 51.208 1.00 0.00 C ATOM 0 H ALA B 49 81.145 -14.546 50.466 1.00 0.00 H new ATOM 0 HA ALA B 49 79.030 -13.647 50.444 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.254 -15.208 51.194 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.523 -16.071 50.292 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.469 -16.171 52.068 1.00 0.00 H new ATOM 1599 N MET B 50 77.646 -13.152 52.774 1.00 0.00 N ATOM 1600 CA MET B 50 77.256 -12.394 54.000 1.00 0.00 C ATOM 1601 C MET B 50 76.832 -13.379 55.098 1.00 0.00 C ATOM 1602 O MET B 50 76.474 -12.989 56.190 1.00 0.00 O ATOM 1603 CB MET B 50 76.092 -11.459 53.654 1.00 0.00 C ATOM 1604 CG MET B 50 75.808 -10.517 54.827 1.00 0.00 C ATOM 1605 SD MET B 50 74.714 -9.184 54.277 1.00 0.00 S ATOM 1606 CE MET B 50 74.267 -8.571 55.920 1.00 0.00 C ATOM 0 H MET B 50 76.882 -13.345 52.126 1.00 0.00 H new ATOM 0 HA MET B 50 78.100 -11.806 54.361 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.333 -10.880 52.762 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.202 -12.044 53.423 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.345 -11.068 55.646 1.00 0.00 H new ATOM 0 HG3 MET B 50 76.741 -10.102 55.209 1.00 0.00 H new ATOM 0 HE1 MET B 50 73.583 -7.728 55.820 1.00 0.00 H new ATOM 0 HE2 MET B 50 73.783 -9.367 56.486 1.00 0.00 H new ATOM 0 HE3 MET B 50 75.166 -8.248 56.445 1.00 0.00 H new ATOM 1616 N HIS B 51 76.861 -14.655 54.818 1.00 0.00 N ATOM 1617 CA HIS B 51 76.440 -15.647 55.851 1.00 0.00 C ATOM 1618 C HIS B 51 77.332 -15.517 57.089 1.00 0.00 C ATOM 1619 O HIS B 51 76.962 -15.919 58.173 1.00 0.00 O ATOM 1620 CB HIS B 51 76.544 -17.071 55.280 1.00 0.00 C ATOM 1621 CG HIS B 51 77.988 -17.507 55.204 1.00 0.00 C ATOM 1622 ND1 HIS B 51 78.714 -17.475 54.022 1.00 0.00 N ATOM 1623 CD2 HIS B 51 78.850 -17.990 56.161 1.00 0.00 C ATOM 1624 CE1 HIS B 51 79.953 -17.927 54.294 1.00 0.00 C ATOM 1625 NE2 HIS B 51 80.085 -18.253 55.581 1.00 0.00 N ATOM 0 H HIS B 51 77.156 -15.052 53.926 1.00 0.00 H new ATOM 0 HA HIS B 51 75.406 -15.451 56.134 1.00 0.00 H new ATOM 0 HB2 HIS B 51 75.982 -17.763 55.908 1.00 0.00 H new ATOM 0 HB3 HIS B 51 76.095 -17.105 54.287 1.00 0.00 H new ATOM 0 HD2 HIS B 51 78.605 -18.141 57.202 1.00 0.00 H new ATOM 0 HE1 HIS B 51 80.742 -18.015 53.561 1.00 0.00 H new ATOM 0 HE2 HIS B 51 80.918 -18.619 56.042 1.00 0.00 H new ATOM 1633 N GLY B 52 78.505 -14.964 56.936 1.00 0.00 N ATOM 1634 CA GLY B 52 79.419 -14.815 58.106 1.00 0.00 C ATOM 1635 C GLY B 52 78.654 -14.212 59.287 1.00 0.00 C ATOM 1636 O GLY B 52 77.993 -14.910 60.031 1.00 0.00 O ATOM 0 H GLY B 52 78.870 -14.609 56.052 1.00 0.00 H new ATOM 0 HA2 GLY B 52 79.830 -15.785 58.384 1.00 0.00 H new ATOM 0 HA3 GLY B 52 80.262 -14.176 57.842 1.00 0.00 H new ATOM 1640 N GLN B 53 78.736 -12.924 59.466 1.00 0.00 N ATOM 1641 CA GLN B 53 78.008 -12.285 60.598 1.00 0.00 C ATOM 1642 C GLN B 53 76.534 -12.138 60.226 1.00 0.00 C ATOM 1643 O GLN B 53 76.193 -11.931 59.078 1.00 0.00 O ATOM 1644 CB GLN B 53 78.600 -10.899 60.872 1.00 0.00 C ATOM 1645 CG GLN B 53 80.052 -11.040 61.346 1.00 0.00 C ATOM 1646 CD GLN B 53 80.964 -11.270 60.139 1.00 0.00 C ATOM 1647 OE1 GLN B 53 81.540 -12.330 59.992 1.00 0.00 O ATOM 1648 NE2 GLN B 53 81.114 -10.319 59.259 1.00 0.00 N ATOM 0 H GLN B 53 79.274 -12.287 58.879 1.00 0.00 H new ATOM 0 HA GLN B 53 78.105 -12.904 61.490 1.00 0.00 H new ATOM 0 HB2 GLN B 53 78.560 -10.291 59.968 1.00 0.00 H new ATOM 0 HB3 GLN B 53 78.009 -10.384 61.629 1.00 0.00 H new ATOM 0 HG2 GLN B 53 80.360 -10.142 61.881 1.00 0.00 H new ATOM 0 HG3 GLN B 53 80.138 -11.873 62.044 1.00 0.00 H new ATOM 0 HE21 GLN B 53 80.631 -9.429 59.382 1.00 0.00 H new ATOM 0 HE22 GLN B 53 81.715 -10.465 58.448 1.00 0.00 H new ATOM 1657 N VAL B 54 75.657 -12.238 61.192 1.00 0.00 N ATOM 1658 CA VAL B 54 74.192 -12.102 60.915 1.00 0.00 C ATOM 1659 C VAL B 54 73.698 -10.764 61.464 1.00 0.00 C ATOM 1660 O VAL B 54 73.838 -10.471 62.635 1.00 0.00 O ATOM 1661 CB VAL B 54 73.444 -13.246 61.601 1.00 0.00 C ATOM 1662 CG1 VAL B 54 71.941 -13.082 61.372 1.00 0.00 C ATOM 1663 CG2 VAL B 54 73.905 -14.578 61.006 1.00 0.00 C ATOM 0 H VAL B 54 75.894 -12.409 62.169 1.00 0.00 H new ATOM 0 HA VAL B 54 74.012 -12.142 59.841 1.00 0.00 H new ATOM 0 HB VAL B 54 73.653 -13.229 62.671 1.00 0.00 H new ATOM 0 HG11 VAL B 54 71.407 -13.897 61.861 1.00 0.00 H new ATOM 0 HG12 VAL B 54 71.611 -12.131 61.789 1.00 0.00 H new ATOM 0 HG13 VAL B 54 71.732 -13.101 60.302 1.00 0.00 H new ATOM 0 HG21 VAL B 54 73.374 -15.397 61.492 1.00 0.00 H new ATOM 0 HG22 VAL B 54 73.693 -14.592 59.937 1.00 0.00 H new ATOM 0 HG23 VAL B 54 74.977 -14.696 61.164 1.00 0.00 H new ATOM 1673 N ASP B 55 73.127 -9.944 60.622 1.00 0.00 N ATOM 1674 CA ASP B 55 72.628 -8.617 61.089 1.00 0.00 C ATOM 1675 C ASP B 55 71.192 -8.760 61.594 1.00 0.00 C ATOM 1676 O ASP B 55 70.422 -9.450 60.947 1.00 0.00 O ATOM 1677 CB ASP B 55 72.661 -7.626 59.923 1.00 0.00 C ATOM 1678 CG ASP B 55 72.365 -6.218 60.443 1.00 0.00 C ATOM 1679 OD1 ASP B 55 71.719 -6.113 61.471 1.00 0.00 O ATOM 1680 OD2 ASP B 55 72.791 -5.271 59.804 1.00 0.00 O ATOM 1681 OXT ASP B 55 70.886 -8.176 62.621 1.00 0.00 O ATOM 0 H ASP B 55 72.984 -10.136 59.630 1.00 0.00 H new ATOM 0 HA ASP B 55 73.262 -8.253 61.898 1.00 0.00 H new ATOM 0 HB2 ASP B 55 73.638 -7.649 59.440 1.00 0.00 H new ATOM 0 HB3 ASP B 55 71.926 -7.909 59.170 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.059 -1.686 35.840 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.567 -21.193 39.847 1.00 0.00 ZN