USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=16 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 Single : A 1 PHE N :NH3+ 160:sc= 0.682 (180deg=0.307) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 0.535 (180deg=0.00553) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) 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 -60:sc= 1.07 USER MOD Single : A 18 ASN : amide:sc= -0.0415 K(o=-0.042,f=-2!) USER MOD Single : A 22 MET CE :methyl -157:sc= -0.171 (180deg=-1.26) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 60:sc= -0.325 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.235 X(o=-0.23,f=0.041) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 152:sc= -0.207 (180deg=-1.35!) USER MOD Single : A 51 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.21) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 1 PHE N :NH3+ 156:sc= 0.665 (180deg=0.332) USER MOD Single : B 7 LYS NZ :NH3+ 163:sc= 0.513 (180deg=-0.00324) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) 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 -62:sc= 1.08 USER MOD Single : B 18 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.8!) USER MOD Single : B 22 MET CE :methyl -158:sc= -0.139 (180deg=-1.31) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc=-0.00124 K(o=-0.0012,f=-1.5!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 69:sc= -0.225! USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= 0.11 X(o=0.11,f=-0.11) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 154:sc= -0.292 (180deg=-1.43!) USER MOD Single : B 51 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.15) USER MOD Single : B 53 GLN : amide:sc=-0.00548 K(o=-0.0055,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 93.995 -3.679 23.955 1.00 0.00 N ATOM 2 CA PHE A 1 93.879 -4.276 25.315 1.00 0.00 C ATOM 3 C PHE A 1 93.589 -3.174 26.335 1.00 0.00 C ATOM 4 O PHE A 1 92.455 -2.801 26.561 1.00 0.00 O ATOM 5 CB PHE A 1 95.193 -4.966 25.693 1.00 0.00 C ATOM 6 CG PHE A 1 95.352 -6.250 24.910 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.805 -6.216 23.585 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.049 -7.478 25.513 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.956 -7.407 22.866 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.200 -8.669 24.793 1.00 0.00 C ATOM 11 CZ PHE A 1 95.653 -8.634 23.472 1.00 0.00 C ATOM 0 H1 PHE A 1 94.511 -4.332 23.332 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.045 -3.510 23.568 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.510 -2.778 24.014 1.00 0.00 H new ATOM 0 HA PHE A 1 93.068 -5.005 25.314 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.033 -4.301 25.490 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.206 -5.179 26.762 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.038 -5.270 23.118 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.699 -7.506 26.534 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.306 -7.381 21.845 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.966 -9.615 25.259 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.770 -9.553 22.917 1.00 0.00 H new ATOM 23 N LEU A 2 94.613 -2.665 26.964 1.00 0.00 N ATOM 24 CA LEU A 2 94.419 -1.596 27.982 1.00 0.00 C ATOM 25 C LEU A 2 93.782 -0.362 27.337 1.00 0.00 C ATOM 26 O LEU A 2 92.940 0.289 27.922 1.00 0.00 O ATOM 27 CB LEU A 2 95.778 -1.207 28.572 1.00 0.00 C ATOM 28 CG LEU A 2 96.385 -2.391 29.341 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.817 -2.034 29.743 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.554 -2.697 30.604 1.00 0.00 C ATOM 0 H LEU A 2 95.582 -2.946 26.815 1.00 0.00 H new ATOM 0 HA LEU A 2 93.762 -1.969 28.768 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.453 -0.898 27.774 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.661 -0.353 29.239 1.00 0.00 H new ATOM 0 HG LEU A 2 96.382 -3.275 28.703 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.260 -2.866 30.290 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.407 -1.833 28.849 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.807 -1.148 30.377 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.998 -3.538 31.137 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.543 -1.821 31.253 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.533 -2.948 30.316 1.00 0.00 H new ATOM 42 N ASP A 3 94.200 -0.020 26.150 1.00 0.00 N ATOM 43 CA ASP A 3 93.639 1.188 25.477 1.00 0.00 C ATOM 44 C ASP A 3 92.133 1.035 25.289 1.00 0.00 C ATOM 45 O ASP A 3 91.364 1.926 25.591 1.00 0.00 O ATOM 46 CB ASP A 3 94.291 1.351 24.110 1.00 0.00 C ATOM 47 CG ASP A 3 93.730 2.595 23.423 1.00 0.00 C ATOM 48 OD1 ASP A 3 92.579 2.556 23.016 1.00 0.00 O ATOM 49 OD2 ASP A 3 94.460 3.566 23.315 1.00 0.00 O ATOM 0 H ASP A 3 94.907 -0.525 25.615 1.00 0.00 H new ATOM 0 HA ASP A 3 93.839 2.062 26.097 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.372 1.439 24.219 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.103 0.469 23.498 1.00 0.00 H new ATOM 54 N GLY A 4 91.704 -0.088 24.789 1.00 0.00 N ATOM 55 CA GLY A 4 90.245 -0.300 24.575 1.00 0.00 C ATOM 56 C GLY A 4 89.526 -0.236 25.922 1.00 0.00 C ATOM 57 O GLY A 4 88.421 0.253 26.021 1.00 0.00 O ATOM 0 H GLY A 4 92.300 -0.870 24.519 1.00 0.00 H new ATOM 0 HA2 GLY A 4 89.850 0.460 23.902 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.071 -1.266 24.102 1.00 0.00 H new ATOM 61 N ILE A 5 90.149 -0.731 26.955 1.00 0.00 N ATOM 62 CA ILE A 5 89.506 -0.707 28.296 1.00 0.00 C ATOM 63 C ILE A 5 89.366 0.735 28.784 1.00 0.00 C ATOM 64 O ILE A 5 88.374 1.101 29.382 1.00 0.00 O ATOM 65 CB ILE A 5 90.363 -1.511 29.284 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.187 -3.008 29.002 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.941 -1.194 30.729 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.182 -3.811 29.846 1.00 0.00 C ATOM 0 H ILE A 5 91.078 -1.152 26.927 1.00 0.00 H new ATOM 0 HA ILE A 5 88.513 -1.152 28.228 1.00 0.00 H new ATOM 0 HB ILE A 5 91.411 -1.238 29.160 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.167 -3.315 29.234 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.347 -3.210 27.943 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.555 -1.769 31.422 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.076 -0.130 30.922 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.893 -1.458 30.868 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.055 -4.875 29.644 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.199 -3.512 29.592 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.001 -3.618 30.903 1.00 0.00 H new ATOM 80 N ASP A 6 90.353 1.550 28.566 1.00 0.00 N ATOM 81 CA ASP A 6 90.256 2.951 29.052 1.00 0.00 C ATOM 82 C ASP A 6 89.048 3.634 28.406 1.00 0.00 C ATOM 83 O ASP A 6 88.250 4.265 29.071 1.00 0.00 O ATOM 84 CB ASP A 6 91.539 3.707 28.694 1.00 0.00 C ATOM 85 CG ASP A 6 91.456 5.140 29.223 1.00 0.00 C ATOM 86 OD1 ASP A 6 91.833 5.347 30.365 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.020 6.003 28.480 1.00 0.00 O ATOM 0 H ASP A 6 91.216 1.312 28.077 1.00 0.00 H new ATOM 0 HA ASP A 6 90.131 2.954 30.135 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.403 3.200 29.123 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.678 3.715 27.613 1.00 0.00 H new ATOM 92 N LYS A 7 88.900 3.506 27.117 1.00 0.00 N ATOM 93 CA LYS A 7 87.734 4.147 26.440 1.00 0.00 C ATOM 94 C LYS A 7 86.444 3.424 26.834 1.00 0.00 C ATOM 95 O LYS A 7 85.420 4.040 27.061 1.00 0.00 O ATOM 96 CB LYS A 7 87.918 4.073 24.925 1.00 0.00 C ATOM 97 CG LYS A 7 89.059 5.003 24.510 1.00 0.00 C ATOM 98 CD LYS A 7 89.250 4.937 22.996 1.00 0.00 C ATOM 99 CE LYS A 7 90.400 5.857 22.592 1.00 0.00 C ATOM 100 NZ LYS A 7 91.666 5.353 23.195 1.00 0.00 N ATOM 0 H LYS A 7 89.531 2.989 26.504 1.00 0.00 H new ATOM 0 HA LYS A 7 87.670 5.191 26.748 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.140 3.049 24.623 1.00 0.00 H new ATOM 0 HB3 LYS A 7 86.996 4.362 24.420 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.837 6.026 24.814 1.00 0.00 H new ATOM 0 HG3 LYS A 7 89.980 4.713 25.016 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.463 3.913 22.689 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.333 5.238 22.489 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.489 5.892 21.506 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.203 6.875 22.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.478 5.783 22.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.694 5.604 24.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.711 4.319 23.095 1.00 0.00 H new ATOM 114 N ALA A 8 86.485 2.120 26.915 1.00 0.00 N ATOM 115 CA ALA A 8 85.263 1.351 27.292 1.00 0.00 C ATOM 116 C ALA A 8 84.925 1.593 28.763 1.00 0.00 C ATOM 117 O ALA A 8 83.774 1.573 29.155 1.00 0.00 O ATOM 118 CB ALA A 8 85.507 -0.141 27.071 1.00 0.00 C ATOM 0 H ALA A 8 87.314 1.553 26.736 1.00 0.00 H new ATOM 0 HA ALA A 8 84.431 1.684 26.671 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.613 -0.701 27.347 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.738 -0.320 26.021 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.345 -0.468 27.687 1.00 0.00 H new ATOM 124 N GLN A 9 85.915 1.801 29.584 1.00 0.00 N ATOM 125 CA GLN A 9 85.638 2.015 31.031 1.00 0.00 C ATOM 126 C GLN A 9 84.781 3.273 31.210 1.00 0.00 C ATOM 127 O GLN A 9 85.008 4.294 30.592 1.00 0.00 O ATOM 128 CB GLN A 9 86.960 2.167 31.784 1.00 0.00 C ATOM 129 CG GLN A 9 86.683 2.276 33.284 1.00 0.00 C ATOM 130 CD GLN A 9 88.008 2.391 34.037 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.063 2.216 33.462 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.999 2.666 35.314 1.00 0.00 N ATOM 0 H GLN A 9 86.899 1.832 29.318 1.00 0.00 H new ATOM 0 HA GLN A 9 85.096 1.158 31.431 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.605 1.312 31.584 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.489 3.054 31.436 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.059 3.146 33.488 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.131 1.401 33.628 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.113 2.813 35.798 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.878 2.734 35.827 1.00 0.00 H new ATOM 141 N GLU A 10 83.786 3.186 32.049 1.00 0.00 N ATOM 142 CA GLU A 10 82.877 4.342 32.285 1.00 0.00 C ATOM 143 C GLU A 10 81.970 3.986 33.466 1.00 0.00 C ATOM 144 O GLU A 10 81.951 2.858 33.919 1.00 0.00 O ATOM 145 CB GLU A 10 82.031 4.584 31.029 1.00 0.00 C ATOM 146 CG GLU A 10 81.349 5.954 31.105 1.00 0.00 C ATOM 147 CD GLU A 10 80.659 6.256 29.774 1.00 0.00 C ATOM 148 OE1 GLU A 10 79.801 5.482 29.384 1.00 0.00 O ATOM 149 OE2 GLU A 10 81.007 7.252 29.161 1.00 0.00 O ATOM 0 H GLU A 10 83.561 2.350 32.589 1.00 0.00 H new ATOM 0 HA GLU A 10 83.444 5.247 32.504 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.662 4.533 30.142 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.279 3.801 30.932 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.620 5.964 31.915 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.085 6.726 31.329 1.00 0.00 H new ATOM 156 N GLU A 11 81.231 4.928 33.983 1.00 0.00 N ATOM 157 CA GLU A 11 80.347 4.623 35.150 1.00 0.00 C ATOM 158 C GLU A 11 79.540 3.345 34.878 1.00 0.00 C ATOM 159 O GLU A 11 79.541 2.817 33.781 1.00 0.00 O ATOM 160 CB GLU A 11 79.401 5.807 35.402 1.00 0.00 C ATOM 161 CG GLU A 11 78.294 5.843 34.345 1.00 0.00 C ATOM 162 CD GLU A 11 77.551 7.177 34.436 1.00 0.00 C ATOM 163 OE1 GLU A 11 77.522 7.745 35.516 1.00 0.00 O ATOM 164 OE2 GLU A 11 77.023 7.609 33.424 1.00 0.00 O ATOM 0 H GLU A 11 81.199 5.892 33.652 1.00 0.00 H new ATOM 0 HA GLU A 11 80.961 4.464 36.036 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.961 5.723 36.396 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.963 6.740 35.380 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.721 5.719 33.350 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.601 5.016 34.500 1.00 0.00 H new ATOM 171 N HIS A 12 78.855 2.844 35.873 1.00 0.00 N ATOM 172 CA HIS A 12 78.049 1.602 35.685 1.00 0.00 C ATOM 173 C HIS A 12 76.792 1.937 34.885 1.00 0.00 C ATOM 174 O HIS A 12 75.681 1.876 35.375 1.00 0.00 O ATOM 175 CB HIS A 12 77.670 1.041 37.055 1.00 0.00 C ATOM 176 CG HIS A 12 76.729 -0.123 36.904 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.172 -1.411 36.631 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.366 -0.217 37.043 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.089 -2.219 36.625 1.00 0.00 C ATOM 180 NE2 HIS A 12 74.970 -1.539 36.870 1.00 0.00 N ATOM 0 H HIS A 12 78.819 3.243 36.811 1.00 0.00 H new ATOM 0 HA HIS A 12 78.628 0.856 35.141 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.568 0.724 37.586 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.201 1.820 37.657 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.703 0.609 37.254 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.126 -3.283 36.444 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.021 -1.910 36.920 1.00 0.00 H new ATOM 188 N GLU A 13 76.979 2.283 33.647 1.00 0.00 N ATOM 189 CA GLU A 13 75.840 2.626 32.754 1.00 0.00 C ATOM 190 C GLU A 13 75.065 1.355 32.405 1.00 0.00 C ATOM 191 O GLU A 13 75.472 0.257 32.735 1.00 0.00 O ATOM 192 CB GLU A 13 76.410 3.257 31.486 1.00 0.00 C ATOM 193 CG GLU A 13 75.292 3.859 30.631 1.00 0.00 C ATOM 194 CD GLU A 13 75.903 4.783 29.574 1.00 0.00 C ATOM 195 OE1 GLU A 13 77.105 4.992 29.620 1.00 0.00 O ATOM 196 OE2 GLU A 13 75.162 5.264 28.734 1.00 0.00 O ATOM 0 H GLU A 13 77.896 2.344 33.204 1.00 0.00 H new ATOM 0 HA GLU A 13 75.161 3.322 33.246 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.129 4.032 31.751 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.950 2.505 30.911 1.00 0.00 H new ATOM 0 HG2 GLU A 13 74.720 3.066 30.150 1.00 0.00 H new ATOM 0 HG3 GLU A 13 74.598 4.416 31.260 1.00 0.00 H new ATOM 203 N LYS A 14 73.952 1.488 31.739 1.00 0.00 N ATOM 204 CA LYS A 14 73.163 0.285 31.369 1.00 0.00 C ATOM 205 C LYS A 14 73.958 -0.527 30.341 1.00 0.00 C ATOM 206 O LYS A 14 73.774 -1.720 30.204 1.00 0.00 O ATOM 207 CB LYS A 14 71.819 0.704 30.761 1.00 0.00 C ATOM 208 CG LYS A 14 71.037 1.588 31.746 1.00 0.00 C ATOM 209 CD LYS A 14 70.603 0.777 32.974 1.00 0.00 C ATOM 210 CE LYS A 14 69.522 1.550 33.739 1.00 0.00 C ATOM 211 NZ LYS A 14 69.144 0.791 34.966 1.00 0.00 N ATOM 0 H LYS A 14 73.557 2.378 31.436 1.00 0.00 H new ATOM 0 HA LYS A 14 72.974 -0.316 32.258 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.987 1.246 29.830 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.233 -0.181 30.513 1.00 0.00 H new ATOM 0 HG2 LYS A 14 71.656 2.428 32.059 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.160 2.005 31.251 1.00 0.00 H new ATOM 0 HD2 LYS A 14 70.220 -0.195 32.664 1.00 0.00 H new ATOM 0 HD3 LYS A 14 71.460 0.591 33.622 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.890 2.540 34.009 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.647 1.697 33.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 68.411 1.314 35.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 68.777 -0.144 34.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 69.981 0.673 35.572 1.00 0.00 H new ATOM 225 N TYR A 15 74.852 0.107 29.619 1.00 0.00 N ATOM 226 CA TYR A 15 75.662 -0.642 28.610 1.00 0.00 C ATOM 227 C TYR A 15 76.453 -1.763 29.308 1.00 0.00 C ATOM 228 O TYR A 15 76.761 -2.772 28.705 1.00 0.00 O ATOM 229 CB TYR A 15 76.630 0.315 27.884 1.00 0.00 C ATOM 230 CG TYR A 15 75.904 1.034 26.764 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.780 0.414 25.514 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.353 2.304 26.972 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.107 1.062 24.473 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.676 2.952 25.928 1.00 0.00 C ATOM 235 CZ TYR A 15 74.554 2.329 24.679 1.00 0.00 C ATOM 236 OH TYR A 15 73.889 2.967 23.652 1.00 0.00 O ATOM 0 H TYR A 15 75.054 1.105 29.685 1.00 0.00 H new ATOM 0 HA TYR A 15 74.990 -1.082 27.873 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.036 1.040 28.590 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.474 -0.245 27.481 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.205 -0.566 25.354 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.449 2.784 27.935 1.00 0.00 H new ATOM 0 HE1 TYR A 15 75.015 0.583 23.509 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.249 3.931 26.087 1.00 0.00 H new ATOM 0 HH TYR A 15 73.565 3.838 23.963 1.00 0.00 H new ATOM 246 N HIS A 16 76.774 -1.609 30.567 1.00 0.00 N ATOM 247 CA HIS A 16 77.532 -2.692 31.264 1.00 0.00 C ATOM 248 C HIS A 16 76.704 -3.982 31.224 1.00 0.00 C ATOM 249 O HIS A 16 77.233 -5.057 31.029 1.00 0.00 O ATOM 250 CB HIS A 16 77.783 -2.307 32.736 1.00 0.00 C ATOM 251 CG HIS A 16 78.972 -1.385 32.852 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.603 -1.139 34.071 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.667 -0.654 31.918 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.626 -0.296 33.834 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.705 0.029 32.542 1.00 0.00 N ATOM 0 H HIS A 16 76.548 -0.793 31.136 1.00 0.00 H new ATOM 0 HA HIS A 16 78.490 -2.836 30.764 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.898 -1.820 33.146 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.955 -3.206 33.328 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.442 -0.616 30.862 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.299 0.071 34.595 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.385 0.650 32.103 1.00 0.00 H new ATOM 263 N SER A 17 75.413 -3.893 31.403 1.00 0.00 N ATOM 264 CA SER A 17 74.584 -5.130 31.364 1.00 0.00 C ATOM 265 C SER A 17 74.700 -5.770 29.977 1.00 0.00 C ATOM 266 O SER A 17 74.798 -6.972 29.845 1.00 0.00 O ATOM 267 CB SER A 17 73.119 -4.783 31.645 1.00 0.00 C ATOM 268 OG SER A 17 72.607 -3.995 30.578 1.00 0.00 O ATOM 0 H SER A 17 74.902 -3.027 31.573 1.00 0.00 H new ATOM 0 HA SER A 17 74.938 -5.828 32.123 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.532 -5.695 31.752 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.037 -4.239 32.586 1.00 0.00 H new ATOM 0 HG SER A 17 73.132 -3.171 30.498 1.00 0.00 H new ATOM 274 N ASN A 18 74.703 -4.970 28.940 1.00 0.00 N ATOM 275 CA ASN A 18 74.828 -5.523 27.554 1.00 0.00 C ATOM 276 C ASN A 18 76.298 -5.511 27.127 1.00 0.00 C ATOM 277 O ASN A 18 76.751 -4.605 26.456 1.00 0.00 O ATOM 278 CB ASN A 18 74.011 -4.657 26.591 1.00 0.00 C ATOM 279 CG ASN A 18 72.522 -4.918 26.815 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.146 -5.945 27.347 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.650 -4.027 26.432 1.00 0.00 N ATOM 0 H ASN A 18 74.624 -3.954 28.993 1.00 0.00 H new ATOM 0 HA ASN A 18 74.455 -6.547 27.535 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.235 -3.603 26.753 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.281 -4.886 25.560 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.654 -4.192 26.579 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.964 -3.165 25.986 1.00 0.00 H new ATOM 288 N TRP A 19 77.045 -6.506 27.513 1.00 0.00 N ATOM 289 CA TRP A 19 78.484 -6.553 27.134 1.00 0.00 C ATOM 290 C TRP A 19 78.650 -6.859 25.635 1.00 0.00 C ATOM 291 O TRP A 19 79.643 -6.499 25.035 1.00 0.00 O ATOM 292 CB TRP A 19 79.200 -7.617 27.966 1.00 0.00 C ATOM 293 CG TRP A 19 78.708 -8.973 27.586 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.759 -9.676 28.245 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.130 -9.798 26.469 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.579 -10.889 27.603 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.402 -11.009 26.499 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.070 -9.611 25.441 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.601 -12.003 25.543 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.273 -10.607 24.474 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.541 -11.803 24.526 1.00 0.00 C ATOM 0 H TRP A 19 76.720 -7.292 28.077 1.00 0.00 H new ATOM 0 HA TRP A 19 78.926 -5.576 27.332 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.276 -7.553 27.806 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.024 -7.441 29.027 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.229 -9.346 29.126 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.920 -11.606 27.907 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.640 -8.695 25.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.034 -12.921 25.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.996 -10.453 23.686 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.703 -12.569 23.782 1.00 0.00 H new ATOM 312 N ARG A 20 77.707 -7.541 25.030 1.00 0.00 N ATOM 313 CA ARG A 20 77.854 -7.882 23.578 1.00 0.00 C ATOM 314 C ARG A 20 77.963 -6.604 22.743 1.00 0.00 C ATOM 315 O ARG A 20 78.745 -6.524 21.815 1.00 0.00 O ATOM 316 CB ARG A 20 76.629 -8.671 23.100 1.00 0.00 C ATOM 317 CG ARG A 20 76.619 -10.061 23.739 1.00 0.00 C ATOM 318 CD ARG A 20 75.402 -10.844 23.246 1.00 0.00 C ATOM 319 NE ARG A 20 75.571 -11.170 21.801 1.00 0.00 N ATOM 320 CZ ARG A 20 74.833 -12.093 21.246 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.952 -12.739 21.957 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.976 -12.371 19.977 1.00 0.00 N ATOM 0 H ARG A 20 76.850 -7.874 25.472 1.00 0.00 H new ATOM 0 HA ARG A 20 78.756 -8.481 23.456 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.717 -8.135 23.361 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.646 -8.761 22.014 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.535 -10.595 23.486 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.592 -9.973 24.825 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.287 -11.760 23.825 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.495 -10.258 23.394 1.00 0.00 H new ATOM 0 HE ARG A 20 76.265 -10.671 21.245 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.839 -12.524 22.948 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.376 -13.460 21.523 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.665 -11.867 19.419 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.399 -13.092 19.545 1.00 0.00 H new ATOM 336 N ALA A 21 77.193 -5.601 23.064 1.00 0.00 N ATOM 337 CA ALA A 21 77.260 -4.332 22.282 1.00 0.00 C ATOM 338 C ALA A 21 78.671 -3.755 22.382 1.00 0.00 C ATOM 339 O ALA A 21 79.214 -3.240 21.423 1.00 0.00 O ATOM 340 CB ALA A 21 76.255 -3.323 22.847 1.00 0.00 C ATOM 0 H ALA A 21 76.522 -5.604 23.832 1.00 0.00 H new ATOM 0 HA ALA A 21 77.018 -4.534 21.239 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.307 -2.398 22.273 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.248 -3.736 22.780 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.494 -3.117 23.890 1.00 0.00 H new ATOM 346 N MET A 22 79.265 -3.832 23.538 1.00 0.00 N ATOM 347 CA MET A 22 80.636 -3.277 23.713 1.00 0.00 C ATOM 348 C MET A 22 81.604 -3.992 22.769 1.00 0.00 C ATOM 349 O MET A 22 82.406 -3.375 22.098 1.00 0.00 O ATOM 350 CB MET A 22 81.085 -3.511 25.157 1.00 0.00 C ATOM 351 CG MET A 22 82.379 -2.740 25.427 1.00 0.00 C ATOM 352 SD MET A 22 83.082 -3.272 27.008 1.00 0.00 S ATOM 353 CE MET A 22 81.655 -2.885 28.049 1.00 0.00 C ATOM 0 H MET A 22 78.860 -4.256 24.372 1.00 0.00 H new ATOM 0 HA MET A 22 80.630 -2.210 23.489 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.306 -3.186 25.847 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.242 -4.576 25.331 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.093 -2.915 24.622 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.179 -1.669 25.448 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.983 -2.745 29.079 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.181 -1.971 27.692 1.00 0.00 H new ATOM 0 HE3 MET A 22 80.939 -3.706 28.005 1.00 0.00 H new ATOM 363 N ALA A 23 81.537 -5.289 22.714 1.00 0.00 N ATOM 364 CA ALA A 23 82.454 -6.049 21.819 1.00 0.00 C ATOM 365 C ALA A 23 82.201 -5.647 20.367 1.00 0.00 C ATOM 366 O ALA A 23 83.115 -5.486 19.584 1.00 0.00 O ATOM 367 CB ALA A 23 82.181 -7.548 21.982 1.00 0.00 C ATOM 0 H ALA A 23 80.885 -5.860 23.251 1.00 0.00 H new ATOM 0 HA ALA A 23 83.489 -5.828 22.081 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.848 -8.112 21.330 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.354 -7.839 23.018 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.146 -7.761 21.714 1.00 0.00 H new ATOM 373 N SER A 24 80.961 -5.494 20.005 1.00 0.00 N ATOM 374 CA SER A 24 80.627 -5.115 18.605 1.00 0.00 C ATOM 375 C SER A 24 81.091 -3.686 18.321 1.00 0.00 C ATOM 376 O SER A 24 81.577 -3.382 17.248 1.00 0.00 O ATOM 377 CB SER A 24 79.116 -5.200 18.405 1.00 0.00 C ATOM 378 OG SER A 24 78.805 -4.904 17.047 1.00 0.00 O ATOM 0 H SER A 24 80.158 -5.616 20.622 1.00 0.00 H new ATOM 0 HA SER A 24 81.132 -5.798 17.922 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.759 -6.197 18.663 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.610 -4.498 19.068 1.00 0.00 H new ATOM 0 HG SER A 24 77.836 -4.959 16.914 1.00 0.00 H new ATOM 384 N ASP A 25 80.921 -2.800 19.258 1.00 0.00 N ATOM 385 CA ASP A 25 81.334 -1.391 19.021 1.00 0.00 C ATOM 386 C ASP A 25 82.842 -1.312 18.787 1.00 0.00 C ATOM 387 O ASP A 25 83.309 -0.569 17.947 1.00 0.00 O ATOM 388 CB ASP A 25 80.964 -0.546 20.242 1.00 0.00 C ATOM 389 CG ASP A 25 79.445 -0.390 20.312 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.798 -0.611 19.300 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.952 -0.051 21.374 1.00 0.00 O ATOM 0 H ASP A 25 80.516 -2.988 20.175 1.00 0.00 H new ATOM 0 HA ASP A 25 80.820 -1.013 18.137 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.334 -1.020 21.151 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.438 0.433 20.177 1.00 0.00 H new ATOM 396 N PHE A 26 83.611 -2.068 19.525 1.00 0.00 N ATOM 397 CA PHE A 26 85.100 -2.029 19.353 1.00 0.00 C ATOM 398 C PHE A 26 85.573 -3.245 18.546 1.00 0.00 C ATOM 399 O PHE A 26 86.756 -3.424 18.329 1.00 0.00 O ATOM 400 CB PHE A 26 85.765 -2.059 20.733 1.00 0.00 C ATOM 401 CG PHE A 26 85.498 -0.763 21.473 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.272 -0.561 22.118 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.484 0.232 21.523 1.00 0.00 C ATOM 404 CE1 PHE A 26 84.030 0.631 22.810 1.00 0.00 C ATOM 405 CE2 PHE A 26 86.241 1.427 22.215 1.00 0.00 C ATOM 406 CZ PHE A 26 85.015 1.625 22.859 1.00 0.00 C ATOM 0 H PHE A 26 83.276 -2.712 20.241 1.00 0.00 H new ATOM 0 HA PHE A 26 85.373 -1.118 18.821 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.383 -2.901 21.310 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.839 -2.209 20.624 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.511 -1.327 22.081 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.432 0.078 21.028 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.083 0.784 23.306 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.000 2.194 22.251 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.828 2.544 23.394 1.00 0.00 H new ATOM 416 N ASN A 27 84.673 -4.086 18.109 1.00 0.00 N ATOM 417 CA ASN A 27 85.088 -5.289 17.330 1.00 0.00 C ATOM 418 C ASN A 27 86.134 -6.072 18.136 1.00 0.00 C ATOM 419 O ASN A 27 87.178 -6.435 17.629 1.00 0.00 O ATOM 420 CB ASN A 27 85.684 -4.863 15.980 1.00 0.00 C ATOM 421 CG ASN A 27 84.594 -4.210 15.128 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.423 -4.495 15.297 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.929 -3.336 14.216 1.00 0.00 N ATOM 0 H ASN A 27 83.668 -3.992 18.258 1.00 0.00 H new ATOM 0 HA ASN A 27 84.218 -5.919 17.145 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.506 -4.165 16.137 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.096 -5.729 15.462 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.209 -2.893 13.646 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.911 -3.097 14.075 1.00 0.00 H new ATOM 430 N LEU A 28 85.850 -6.332 19.391 1.00 0.00 N ATOM 431 CA LEU A 28 86.806 -7.094 20.262 1.00 0.00 C ATOM 432 C LEU A 28 86.108 -8.374 20.737 1.00 0.00 C ATOM 433 O LEU A 28 84.903 -8.401 20.863 1.00 0.00 O ATOM 434 CB LEU A 28 87.165 -6.238 21.484 1.00 0.00 C ATOM 435 CG LEU A 28 88.018 -5.033 21.062 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.097 -4.037 22.224 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.440 -5.486 20.677 1.00 0.00 C ATOM 0 H LEU A 28 84.988 -6.046 19.855 1.00 0.00 H new ATOM 0 HA LEU A 28 87.712 -7.338 19.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.255 -5.893 21.974 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.710 -6.841 22.211 1.00 0.00 H new ATOM 0 HG LEU A 28 87.555 -4.559 20.196 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.702 -3.180 21.928 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.093 -3.700 22.484 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.552 -4.521 23.088 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.030 -4.619 20.381 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.911 -5.971 21.532 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.385 -6.189 19.846 1.00 0.00 H new ATOM 449 N PRO A 29 86.841 -9.432 21.000 1.00 0.00 N ATOM 450 CA PRO A 29 86.230 -10.713 21.462 1.00 0.00 C ATOM 451 C PRO A 29 85.646 -10.584 22.885 1.00 0.00 C ATOM 452 O PRO A 29 86.137 -9.816 23.688 1.00 0.00 O ATOM 453 CB PRO A 29 87.397 -11.715 21.429 1.00 0.00 C ATOM 454 CG PRO A 29 88.634 -10.880 21.544 1.00 0.00 C ATOM 455 CD PRO A 29 88.308 -9.533 20.890 1.00 0.00 C ATOM 0 HA PRO A 29 85.393 -11.021 20.836 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.326 -12.429 22.249 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.395 -12.291 20.504 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.917 -10.747 22.588 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.475 -11.361 21.045 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.805 -8.709 21.403 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.634 -9.504 19.850 1.00 0.00 H new ATOM 463 N PRO A 30 84.606 -11.324 23.203 1.00 0.00 N ATOM 464 CA PRO A 30 83.973 -11.267 24.552 1.00 0.00 C ATOM 465 C PRO A 30 85.005 -11.201 25.689 1.00 0.00 C ATOM 466 O PRO A 30 84.701 -10.788 26.788 1.00 0.00 O ATOM 467 CB PRO A 30 83.176 -12.575 24.635 1.00 0.00 C ATOM 468 CG PRO A 30 82.852 -12.943 23.216 1.00 0.00 C ATOM 469 CD PRO A 30 83.921 -12.291 22.322 1.00 0.00 C ATOM 0 HA PRO A 30 83.364 -10.371 24.669 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.759 -13.359 25.120 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.268 -12.443 25.223 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.853 -14.026 23.089 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.857 -12.591 22.945 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.617 -13.033 21.931 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.470 -11.794 21.463 1.00 0.00 H new ATOM 477 N VAL A 31 86.211 -11.628 25.437 1.00 0.00 N ATOM 478 CA VAL A 31 87.240 -11.621 26.515 1.00 0.00 C ATOM 479 C VAL A 31 87.477 -10.204 27.038 1.00 0.00 C ATOM 480 O VAL A 31 87.445 -9.970 28.230 1.00 0.00 O ATOM 481 CB VAL A 31 88.545 -12.200 25.951 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.697 -11.984 26.939 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.361 -13.702 25.717 1.00 0.00 C ATOM 0 H VAL A 31 86.528 -11.981 24.534 1.00 0.00 H new ATOM 0 HA VAL A 31 86.889 -12.228 27.349 1.00 0.00 H new ATOM 0 HB VAL A 31 88.783 -11.696 25.015 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.615 -12.400 26.524 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.830 -10.917 27.115 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.466 -12.481 27.881 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.283 -14.123 25.316 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.119 -14.190 26.661 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.550 -13.863 25.007 1.00 0.00 H new ATOM 493 N VAL A 32 87.702 -9.258 26.178 1.00 0.00 N ATOM 494 CA VAL A 32 87.926 -7.876 26.679 1.00 0.00 C ATOM 495 C VAL A 32 86.634 -7.342 27.295 1.00 0.00 C ATOM 496 O VAL A 32 86.643 -6.755 28.361 1.00 0.00 O ATOM 497 CB VAL A 32 88.380 -6.969 25.529 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.371 -5.507 25.989 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.803 -7.356 25.116 1.00 0.00 C ATOM 0 H VAL A 32 87.741 -9.375 25.166 1.00 0.00 H new ATOM 0 HA VAL A 32 88.706 -7.889 27.440 1.00 0.00 H new ATOM 0 HB VAL A 32 87.701 -7.088 24.684 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.694 -4.866 25.169 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.362 -5.227 26.293 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.050 -5.387 26.833 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.132 -6.715 24.298 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.475 -7.234 25.966 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.817 -8.396 24.789 1.00 0.00 H new ATOM 509 N ALA A 33 85.524 -7.534 26.639 1.00 0.00 N ATOM 510 CA ALA A 33 84.240 -7.028 27.200 1.00 0.00 C ATOM 511 C ALA A 33 83.913 -7.745 28.512 1.00 0.00 C ATOM 512 O ALA A 33 83.499 -7.127 29.472 1.00 0.00 O ATOM 513 CB ALA A 33 83.106 -7.257 26.195 1.00 0.00 C ATOM 0 H ALA A 33 85.450 -8.017 25.743 1.00 0.00 H new ATOM 0 HA ALA A 33 84.342 -5.961 27.395 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.170 -6.885 26.612 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.328 -6.726 25.269 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.013 -8.323 25.989 1.00 0.00 H new ATOM 519 N LYS A 34 84.091 -9.039 28.571 1.00 0.00 N ATOM 520 CA LYS A 34 83.779 -9.765 29.834 1.00 0.00 C ATOM 521 C LYS A 34 84.729 -9.317 30.946 1.00 0.00 C ATOM 522 O LYS A 34 84.331 -9.157 32.083 1.00 0.00 O ATOM 523 CB LYS A 34 83.898 -11.275 29.613 1.00 0.00 C ATOM 524 CG LYS A 34 82.692 -11.766 28.803 1.00 0.00 C ATOM 525 CD LYS A 34 82.810 -13.276 28.562 1.00 0.00 C ATOM 526 CE LYS A 34 81.549 -13.793 27.859 1.00 0.00 C ATOM 527 NZ LYS A 34 80.502 -14.071 28.879 1.00 0.00 N ATOM 0 H LYS A 34 84.436 -9.619 27.806 1.00 0.00 H new ATOM 0 HA LYS A 34 82.757 -9.533 30.132 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.823 -11.505 29.085 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.941 -11.792 30.572 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.768 -11.545 29.338 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.643 -11.239 27.850 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.689 -13.488 27.953 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.946 -13.795 29.511 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.189 -13.055 27.142 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.776 -14.699 27.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.644 -14.422 28.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.849 -14.789 29.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.280 -13.196 29.396 1.00 0.00 H new ATOM 541 N GLU A 35 85.982 -9.122 30.638 1.00 0.00 N ATOM 542 CA GLU A 35 86.942 -8.695 31.694 1.00 0.00 C ATOM 543 C GLU A 35 86.503 -7.350 32.281 1.00 0.00 C ATOM 544 O GLU A 35 86.576 -7.131 33.474 1.00 0.00 O ATOM 545 CB GLU A 35 88.345 -8.569 31.094 1.00 0.00 C ATOM 546 CG GLU A 35 89.392 -8.544 32.217 1.00 0.00 C ATOM 547 CD GLU A 35 89.319 -7.209 32.956 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.416 -6.186 32.300 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.169 -7.230 34.165 1.00 0.00 O ATOM 0 H GLU A 35 86.380 -9.239 29.706 1.00 0.00 H new ATOM 0 HA GLU A 35 86.958 -9.441 32.489 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.539 -9.405 30.422 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.415 -7.659 30.499 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.215 -9.366 32.911 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.389 -8.687 31.801 1.00 0.00 H new ATOM 556 N ILE A 36 86.053 -6.445 31.456 1.00 0.00 N ATOM 557 CA ILE A 36 85.612 -5.128 31.987 1.00 0.00 C ATOM 558 C ILE A 36 84.434 -5.353 32.930 1.00 0.00 C ATOM 559 O ILE A 36 84.323 -4.741 33.975 1.00 0.00 O ATOM 560 CB ILE A 36 85.185 -4.223 30.830 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.418 -3.855 30.003 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.541 -2.945 31.382 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.976 -3.198 28.696 1.00 0.00 C ATOM 0 H ILE A 36 85.973 -6.560 30.446 1.00 0.00 H new ATOM 0 HA ILE A 36 86.431 -4.649 32.524 1.00 0.00 H new ATOM 0 HB ILE A 36 84.462 -4.747 30.205 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.057 -3.175 30.566 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.008 -4.747 29.793 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.238 -2.303 30.554 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.666 -3.206 31.977 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.260 -2.416 32.007 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.854 -2.935 28.106 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.354 -3.893 28.132 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.404 -2.297 28.917 1.00 0.00 H new ATOM 575 N VAL A 37 83.555 -6.241 32.565 1.00 0.00 N ATOM 576 CA VAL A 37 82.379 -6.530 33.423 1.00 0.00 C ATOM 577 C VAL A 37 82.865 -7.102 34.756 1.00 0.00 C ATOM 578 O VAL A 37 82.342 -6.793 35.810 1.00 0.00 O ATOM 579 CB VAL A 37 81.490 -7.559 32.714 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.395 -8.044 33.664 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.855 -6.919 31.475 1.00 0.00 C ATOM 0 H VAL A 37 83.603 -6.782 31.702 1.00 0.00 H new ATOM 0 HA VAL A 37 81.810 -5.618 33.604 1.00 0.00 H new ATOM 0 HB VAL A 37 82.098 -8.411 32.410 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.768 -8.775 33.153 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.851 -8.506 34.539 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.784 -7.197 33.978 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.223 -7.650 30.971 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.250 -6.064 31.777 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.639 -6.587 30.795 1.00 0.00 H new ATOM 591 N ALA A 38 83.862 -7.937 34.707 1.00 0.00 N ATOM 592 CA ALA A 38 84.395 -8.553 35.953 1.00 0.00 C ATOM 593 C ALA A 38 85.106 -7.499 36.805 1.00 0.00 C ATOM 594 O ALA A 38 85.194 -7.621 38.010 1.00 0.00 O ATOM 595 CB ALA A 38 85.388 -9.653 35.587 1.00 0.00 C ATOM 0 H ALA A 38 84.335 -8.222 33.850 1.00 0.00 H new ATOM 0 HA ALA A 38 83.565 -8.971 36.523 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.780 -10.106 36.497 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.885 -10.414 34.990 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.209 -9.225 35.012 1.00 0.00 H new ATOM 601 N SER A 39 85.632 -6.473 36.193 1.00 0.00 N ATOM 602 CA SER A 39 86.353 -5.434 36.983 1.00 0.00 C ATOM 603 C SER A 39 85.351 -4.557 37.740 1.00 0.00 C ATOM 604 O SER A 39 85.630 -4.087 38.827 1.00 0.00 O ATOM 605 CB SER A 39 87.187 -4.569 36.037 1.00 0.00 C ATOM 606 OG SER A 39 88.136 -5.393 35.371 1.00 0.00 O ATOM 0 H SER A 39 85.594 -6.309 35.187 1.00 0.00 H new ATOM 0 HA SER A 39 87.007 -5.922 37.706 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.541 -4.076 35.310 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.697 -3.784 36.596 1.00 0.00 H new ATOM 0 HG SER A 39 87.667 -6.087 34.863 1.00 0.00 H new ATOM 612 N CYS A 40 84.186 -4.337 37.192 1.00 0.00 N ATOM 613 CA CYS A 40 83.182 -3.498 37.908 1.00 0.00 C ATOM 614 C CYS A 40 82.565 -4.322 39.044 1.00 0.00 C ATOM 615 O CYS A 40 81.883 -5.301 38.816 1.00 0.00 O ATOM 616 CB CYS A 40 82.093 -3.056 36.927 1.00 0.00 C ATOM 617 SG CYS A 40 80.892 -2.004 37.779 1.00 0.00 S ATOM 0 H CYS A 40 83.888 -4.699 36.286 1.00 0.00 H new ATOM 0 HA CYS A 40 83.663 -2.612 38.323 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.540 -2.513 36.094 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.593 -3.929 36.507 1.00 0.00 H new ATOM 622 N ASP A 41 82.822 -3.944 40.268 1.00 0.00 N ATOM 623 CA ASP A 41 82.271 -4.711 41.425 1.00 0.00 C ATOM 624 C ASP A 41 80.741 -4.702 41.389 1.00 0.00 C ATOM 625 O ASP A 41 80.100 -5.694 41.678 1.00 0.00 O ATOM 626 CB ASP A 41 82.759 -4.082 42.731 1.00 0.00 C ATOM 627 CG ASP A 41 84.263 -4.323 42.869 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.634 -5.366 43.382 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.018 -3.462 42.452 1.00 0.00 O ATOM 0 H ASP A 41 83.391 -3.135 40.518 1.00 0.00 H new ATOM 0 HA ASP A 41 82.617 -5.743 41.363 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.547 -3.013 42.736 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.229 -4.516 43.579 1.00 0.00 H new ATOM 634 N LYS A 42 80.146 -3.596 41.035 1.00 0.00 N ATOM 635 CA LYS A 42 78.657 -3.536 40.991 1.00 0.00 C ATOM 636 C LYS A 42 78.119 -4.565 39.989 1.00 0.00 C ATOM 637 O LYS A 42 77.115 -5.206 40.231 1.00 0.00 O ATOM 638 CB LYS A 42 78.208 -2.133 40.566 1.00 0.00 C ATOM 639 CG LYS A 42 78.493 -1.129 41.686 1.00 0.00 C ATOM 640 CD LYS A 42 78.037 0.265 41.240 1.00 0.00 C ATOM 641 CE LYS A 42 78.242 1.269 42.376 1.00 0.00 C ATOM 642 NZ LYS A 42 77.724 2.602 41.957 1.00 0.00 N ATOM 0 H LYS A 42 80.624 -2.734 40.775 1.00 0.00 H new ATOM 0 HA LYS A 42 78.266 -3.761 41.983 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.731 -1.835 39.657 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.143 -2.138 40.334 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.969 -1.422 42.596 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.558 -1.119 41.920 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.601 0.577 40.361 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.986 0.238 40.952 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.724 0.931 43.273 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.300 1.340 42.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.862 3.286 42.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.238 2.924 41.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.710 2.527 41.738 1.00 0.00 H new ATOM 656 N CYS A 43 78.769 -4.734 38.868 1.00 0.00 N ATOM 657 CA CYS A 43 78.269 -5.724 37.871 1.00 0.00 C ATOM 658 C CYS A 43 78.570 -7.145 38.357 1.00 0.00 C ATOM 659 O CYS A 43 77.846 -8.077 38.064 1.00 0.00 O ATOM 660 CB CYS A 43 78.978 -5.537 36.529 1.00 0.00 C ATOM 661 SG CYS A 43 78.611 -3.910 35.838 1.00 0.00 S ATOM 0 H CYS A 43 79.617 -4.234 38.601 1.00 0.00 H new ATOM 0 HA CYS A 43 77.196 -5.571 37.754 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.054 -5.647 36.662 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.661 -6.314 35.833 1.00 0.00 H new ATOM 666 N GLN A 44 79.655 -7.326 39.064 1.00 0.00 N ATOM 667 CA GLN A 44 80.023 -8.695 39.528 1.00 0.00 C ATOM 668 C GLN A 44 79.143 -9.114 40.705 1.00 0.00 C ATOM 669 O GLN A 44 78.256 -9.935 40.565 1.00 0.00 O ATOM 670 CB GLN A 44 81.491 -8.704 39.963 1.00 0.00 C ATOM 671 CG GLN A 44 81.947 -10.146 40.198 1.00 0.00 C ATOM 672 CD GLN A 44 83.426 -10.154 40.594 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.299 -9.577 39.815 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.790 -10.688 41.623 1.00 0.00 N ATOM 0 H GLN A 44 80.301 -6.586 39.339 1.00 0.00 H new ATOM 0 HA GLN A 44 79.873 -9.398 38.709 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.111 -8.236 39.198 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.614 -8.120 40.875 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.347 -10.605 40.983 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.798 -10.738 39.295 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.108 -11.139 42.232 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.778 -10.685 41.877 1.00 0.00 H new ATOM 683 N LEU A 45 79.380 -8.569 41.861 1.00 0.00 N ATOM 684 CA LEU A 45 78.553 -8.952 43.040 1.00 0.00 C ATOM 685 C LEU A 45 77.178 -8.289 42.922 1.00 0.00 C ATOM 686 O LEU A 45 77.070 -7.111 42.651 1.00 0.00 O ATOM 687 CB LEU A 45 79.248 -8.495 44.326 1.00 0.00 C ATOM 688 CG LEU A 45 80.645 -9.127 44.413 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.358 -8.609 45.665 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.533 -10.665 44.478 1.00 0.00 C ATOM 0 H LEU A 45 80.107 -7.877 42.043 1.00 0.00 H new ATOM 0 HA LEU A 45 78.432 -10.035 43.071 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.329 -7.408 44.341 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.654 -8.782 45.194 1.00 0.00 H new ATOM 0 HG LEU A 45 81.216 -8.854 43.525 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.350 -9.056 45.730 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.451 -7.525 45.608 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.781 -8.877 46.550 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.530 -11.100 44.539 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.958 -10.951 45.358 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.032 -11.031 43.582 1.00 0.00 H new ATOM 702 N LYS A 46 76.126 -9.038 43.117 1.00 0.00 N ATOM 703 CA LYS A 46 74.758 -8.451 43.008 1.00 0.00 C ATOM 704 C LYS A 46 74.323 -7.909 44.370 1.00 0.00 C ATOM 705 O LYS A 46 74.243 -8.637 45.340 1.00 0.00 O ATOM 706 CB LYS A 46 73.781 -9.534 42.548 1.00 0.00 C ATOM 707 CG LYS A 46 74.150 -9.971 41.129 1.00 0.00 C ATOM 708 CD LYS A 46 73.184 -11.055 40.651 1.00 0.00 C ATOM 709 CE LYS A 46 73.562 -11.478 39.232 1.00 0.00 C ATOM 710 NZ LYS A 46 72.658 -12.574 38.783 1.00 0.00 N ATOM 0 H LYS A 46 76.154 -10.031 43.347 1.00 0.00 H new ATOM 0 HA LYS A 46 74.765 -7.636 42.284 1.00 0.00 H new ATOM 0 HB2 LYS A 46 73.819 -10.387 43.226 1.00 0.00 H new ATOM 0 HB3 LYS A 46 72.760 -9.153 42.571 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.113 -9.116 40.454 1.00 0.00 H new ATOM 0 HG3 LYS A 46 75.172 -10.348 41.110 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.222 -11.914 41.321 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.160 -10.681 40.671 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.484 -10.628 38.555 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.599 -11.813 39.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 72.915 -12.862 37.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.754 -13.387 39.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.674 -12.238 38.794 1.00 0.00 H new ATOM 724 N GLY A 47 74.040 -6.633 44.445 1.00 0.00 N ATOM 725 CA GLY A 47 73.606 -6.021 45.738 1.00 0.00 C ATOM 726 C GLY A 47 74.454 -6.567 46.893 1.00 0.00 C ATOM 727 O GLY A 47 75.614 -6.891 46.725 1.00 0.00 O ATOM 0 H GLY A 47 74.091 -5.984 43.660 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.704 -4.937 45.686 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.553 -6.238 45.916 1.00 0.00 H new ATOM 731 N GLU A 48 73.884 -6.677 48.067 1.00 0.00 N ATOM 732 CA GLU A 48 74.655 -7.206 49.233 1.00 0.00 C ATOM 733 C GLU A 48 74.411 -8.709 49.368 1.00 0.00 C ATOM 734 O GLU A 48 73.290 -9.176 49.298 1.00 0.00 O ATOM 735 CB GLU A 48 74.189 -6.509 50.512 1.00 0.00 C ATOM 736 CG GLU A 48 74.543 -5.023 50.446 1.00 0.00 C ATOM 737 CD GLU A 48 74.026 -4.324 51.704 1.00 0.00 C ATOM 738 OE1 GLU A 48 73.385 -4.985 52.506 1.00 0.00 O ATOM 739 OE2 GLU A 48 74.278 -3.138 51.846 1.00 0.00 O ATOM 0 H GLU A 48 72.917 -6.423 48.268 1.00 0.00 H new ATOM 0 HA GLU A 48 75.717 -7.018 49.076 1.00 0.00 H new ATOM 0 HB2 GLU A 48 73.113 -6.631 50.633 1.00 0.00 H new ATOM 0 HB3 GLU A 48 74.662 -6.967 51.381 1.00 0.00 H new ATOM 0 HG2 GLU A 48 75.623 -4.898 50.364 1.00 0.00 H new ATOM 0 HG3 GLU A 48 74.102 -4.571 49.558 1.00 0.00 H new ATOM 746 N ALA A 49 75.449 -9.471 49.568 1.00 0.00 N ATOM 747 CA ALA A 49 75.283 -10.943 49.716 1.00 0.00 C ATOM 748 C ALA A 49 74.629 -11.257 51.068 1.00 0.00 C ATOM 749 O ALA A 49 74.852 -10.578 52.051 1.00 0.00 O ATOM 750 CB ALA A 49 76.655 -11.613 49.646 1.00 0.00 C ATOM 0 H ALA A 49 76.410 -9.136 49.636 1.00 0.00 H new ATOM 0 HA ALA A 49 74.648 -11.320 48.914 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.539 -12.691 49.754 1.00 0.00 H new ATOM 0 HB2 ALA A 49 77.119 -11.392 48.685 1.00 0.00 H new ATOM 0 HB3 ALA A 49 77.287 -11.234 50.449 1.00 0.00 H new ATOM 756 N MET A 50 73.833 -12.290 51.129 1.00 0.00 N ATOM 757 CA MET A 50 73.178 -12.652 52.423 1.00 0.00 C ATOM 758 C MET A 50 72.552 -14.043 52.309 1.00 0.00 C ATOM 759 O MET A 50 72.035 -14.423 51.275 1.00 0.00 O ATOM 760 CB MET A 50 72.090 -11.629 52.762 1.00 0.00 C ATOM 761 CG MET A 50 71.112 -11.510 51.592 1.00 0.00 C ATOM 762 SD MET A 50 69.831 -10.290 51.992 1.00 0.00 S ATOM 763 CE MET A 50 70.896 -8.828 52.073 1.00 0.00 C ATOM 0 H MET A 50 73.607 -12.899 50.342 1.00 0.00 H new ATOM 0 HA MET A 50 73.928 -12.653 53.214 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.558 -11.934 53.663 1.00 0.00 H new ATOM 0 HB3 MET A 50 72.542 -10.659 52.971 1.00 0.00 H new ATOM 0 HG2 MET A 50 71.644 -11.211 50.689 1.00 0.00 H new ATOM 0 HG3 MET A 50 70.655 -12.478 51.387 1.00 0.00 H new ATOM 0 HE1 MET A 50 70.317 -7.941 51.815 1.00 0.00 H new ATOM 0 HE2 MET A 50 71.292 -8.722 53.083 1.00 0.00 H new ATOM 0 HE3 MET A 50 71.721 -8.940 51.370 1.00 0.00 H new ATOM 773 N HIS A 51 72.603 -14.814 53.370 1.00 0.00 N ATOM 774 CA HIS A 51 72.019 -16.191 53.337 1.00 0.00 C ATOM 775 C HIS A 51 70.640 -16.198 54.006 1.00 0.00 C ATOM 776 O HIS A 51 69.628 -15.986 53.368 1.00 0.00 O ATOM 777 CB HIS A 51 72.949 -17.147 54.084 1.00 0.00 C ATOM 778 CG HIS A 51 72.357 -18.531 54.063 1.00 0.00 C ATOM 779 ND1 HIS A 51 72.313 -19.296 52.905 1.00 0.00 N ATOM 780 CD2 HIS A 51 71.768 -19.294 55.041 1.00 0.00 C ATOM 781 CE1 HIS A 51 71.715 -20.462 53.212 1.00 0.00 C ATOM 782 NE2 HIS A 51 71.364 -20.508 54.498 1.00 0.00 N ATOM 0 H HIS A 51 73.025 -14.547 54.259 1.00 0.00 H new ATOM 0 HA HIS A 51 71.911 -16.509 52.300 1.00 0.00 H new ATOM 0 HB2 HIS A 51 73.934 -17.153 53.618 1.00 0.00 H new ATOM 0 HB3 HIS A 51 73.085 -16.812 55.112 1.00 0.00 H new ATOM 0 HD2 HIS A 51 71.639 -18.997 56.071 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.541 -21.260 52.506 1.00 0.00 H new ATOM 0 HE2 HIS A 51 70.896 -21.274 54.982 1.00 0.00 H new ATOM 790 N GLY A 52 70.594 -16.438 55.292 1.00 0.00 N ATOM 791 CA GLY A 52 69.284 -16.459 56.009 1.00 0.00 C ATOM 792 C GLY A 52 68.940 -15.045 56.475 1.00 0.00 C ATOM 793 O GLY A 52 69.803 -14.295 56.888 1.00 0.00 O ATOM 0 H GLY A 52 71.409 -16.621 55.877 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.502 -16.837 55.351 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.335 -17.134 56.864 1.00 0.00 H new ATOM 797 N GLN A 53 67.686 -14.670 56.414 1.00 0.00 N ATOM 798 CA GLN A 53 67.286 -13.292 56.857 1.00 0.00 C ATOM 799 C GLN A 53 66.497 -13.381 58.166 1.00 0.00 C ATOM 800 O GLN A 53 65.450 -13.997 58.228 1.00 0.00 O ATOM 801 CB GLN A 53 66.410 -12.652 55.777 1.00 0.00 C ATOM 802 CG GLN A 53 66.054 -11.223 56.199 1.00 0.00 C ATOM 803 CD GLN A 53 65.281 -10.531 55.075 1.00 0.00 C ATOM 804 OE1 GLN A 53 65.192 -11.042 53.977 1.00 0.00 O ATOM 805 NE2 GLN A 53 64.712 -9.378 55.308 1.00 0.00 N ATOM 0 H GLN A 53 66.921 -15.255 56.078 1.00 0.00 H new ATOM 0 HA GLN A 53 68.178 -12.686 57.015 1.00 0.00 H new ATOM 0 HB2 GLN A 53 66.937 -12.642 54.823 1.00 0.00 H new ATOM 0 HB3 GLN A 53 65.502 -13.238 55.633 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.454 -11.241 57.109 1.00 0.00 H new ATOM 0 HG3 GLN A 53 66.962 -10.664 56.427 1.00 0.00 H new ATOM 0 HE21 GLN A 53 64.787 -8.949 56.231 1.00 0.00 H new ATOM 0 HE22 GLN A 53 64.193 -8.907 54.567 1.00 0.00 H new ATOM 814 N VAL A 54 66.993 -12.763 59.213 1.00 0.00 N ATOM 815 CA VAL A 54 66.284 -12.798 60.528 1.00 0.00 C ATOM 816 C VAL A 54 65.564 -11.467 60.750 1.00 0.00 C ATOM 817 O VAL A 54 66.137 -10.405 60.619 1.00 0.00 O ATOM 818 CB VAL A 54 67.304 -13.034 61.650 1.00 0.00 C ATOM 819 CG1 VAL A 54 68.254 -11.838 61.762 1.00 0.00 C ATOM 820 CG2 VAL A 54 66.570 -13.221 62.981 1.00 0.00 C ATOM 0 H VAL A 54 67.865 -12.233 59.210 1.00 0.00 H new ATOM 0 HA VAL A 54 65.553 -13.607 60.532 1.00 0.00 H new ATOM 0 HB VAL A 54 67.881 -13.929 61.417 1.00 0.00 H new ATOM 0 HG11 VAL A 54 68.973 -12.018 62.562 1.00 0.00 H new ATOM 0 HG12 VAL A 54 68.785 -11.706 60.819 1.00 0.00 H new ATOM 0 HG13 VAL A 54 67.681 -10.938 61.985 1.00 0.00 H new ATOM 0 HG21 VAL A 54 67.296 -13.388 63.777 1.00 0.00 H new ATOM 0 HG22 VAL A 54 65.987 -12.327 63.204 1.00 0.00 H new ATOM 0 HG23 VAL A 54 65.903 -14.081 62.911 1.00 0.00 H new ATOM 830 N ASP A 55 64.302 -11.525 61.081 1.00 0.00 N ATOM 831 CA ASP A 55 63.517 -10.277 61.314 1.00 0.00 C ATOM 832 C ASP A 55 63.596 -9.896 62.794 1.00 0.00 C ATOM 833 O ASP A 55 64.273 -10.593 63.531 1.00 0.00 O ATOM 834 CB ASP A 55 62.055 -10.525 60.936 1.00 0.00 C ATOM 835 CG ASP A 55 61.504 -11.675 61.783 1.00 0.00 C ATOM 836 OD1 ASP A 55 62.087 -12.746 61.741 1.00 0.00 O ATOM 837 OD2 ASP A 55 60.512 -11.464 62.461 1.00 0.00 O ATOM 838 OXT ASP A 55 62.974 -8.916 63.167 1.00 0.00 O ATOM 0 H ASP A 55 63.776 -12.391 61.201 1.00 0.00 H new ATOM 0 HA ASP A 55 63.924 -9.469 60.706 1.00 0.00 H new ATOM 0 HB2 ASP A 55 61.466 -9.622 61.100 1.00 0.00 H new ATOM 0 HB3 ASP A 55 61.977 -10.768 59.876 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 94.233 -14.292 22.361 1.00 0.00 N ATOM 845 CA PHE B 1 92.989 -14.057 23.149 1.00 0.00 C ATOM 846 C PHE B 1 92.381 -15.402 23.551 1.00 0.00 C ATOM 847 O PHE B 1 92.752 -15.993 24.546 1.00 0.00 O ATOM 848 CB PHE B 1 91.974 -13.284 22.299 1.00 0.00 C ATOM 849 CG PHE B 1 92.395 -11.838 22.158 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.380 -11.479 21.229 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.790 -10.852 22.952 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.759 -10.138 21.094 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.171 -9.512 22.817 1.00 0.00 C ATOM 854 CZ PHE B 1 93.155 -9.155 21.888 1.00 0.00 C ATOM 0 H1 PHE B 1 94.423 -13.466 21.758 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.032 -14.438 23.010 1.00 0.00 H new ATOM 0 H3 PHE B 1 94.112 -15.135 21.765 1.00 0.00 H new ATOM 0 HA PHE B 1 93.234 -13.479 24.040 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.891 -13.743 21.314 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.988 -13.339 22.760 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.847 -12.236 20.617 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.030 -11.127 23.668 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.518 -9.861 20.377 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.706 -8.754 23.429 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.449 -8.121 21.783 1.00 0.00 H new ATOM 866 N LEU B 2 91.443 -15.884 22.783 1.00 0.00 N ATOM 867 CA LEU B 2 90.792 -17.187 23.107 1.00 0.00 C ATOM 868 C LEU B 2 91.833 -18.306 23.122 1.00 0.00 C ATOM 869 O LEU B 2 91.791 -19.193 23.948 1.00 0.00 O ATOM 870 CB LEU B 2 89.738 -17.505 22.049 1.00 0.00 C ATOM 871 CG LEU B 2 88.603 -16.473 22.093 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.670 -16.716 20.905 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.809 -16.598 23.410 1.00 0.00 C ATOM 0 H LEU B 2 91.097 -15.429 21.939 1.00 0.00 H new ATOM 0 HA LEU B 2 90.326 -17.114 24.090 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.196 -17.508 21.060 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.336 -18.504 22.217 1.00 0.00 H new ATOM 0 HG LEU B 2 89.026 -15.470 22.040 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.859 -15.989 20.925 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.229 -16.610 19.975 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.256 -17.723 20.967 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.008 -15.859 23.424 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.381 -17.598 23.483 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.476 -16.426 24.255 1.00 0.00 H new ATOM 885 N ASP B 3 92.751 -18.289 22.200 1.00 0.00 N ATOM 886 CA ASP B 3 93.776 -19.369 22.155 1.00 0.00 C ATOM 887 C ASP B 3 94.574 -19.392 23.457 1.00 0.00 C ATOM 888 O ASP B 3 94.759 -20.426 24.066 1.00 0.00 O ATOM 889 CB ASP B 3 94.732 -19.109 20.998 1.00 0.00 C ATOM 890 CG ASP B 3 95.784 -20.217 20.951 1.00 0.00 C ATOM 891 OD1 ASP B 3 96.648 -20.226 21.810 1.00 0.00 O ATOM 892 OD2 ASP B 3 95.704 -21.044 20.056 1.00 0.00 O ATOM 0 H ASP B 3 92.837 -17.576 21.476 1.00 0.00 H new ATOM 0 HA ASP B 3 93.273 -20.327 22.021 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.182 -19.074 20.058 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.214 -18.139 21.121 1.00 0.00 H new ATOM 897 N GLY B 4 95.050 -18.262 23.885 1.00 0.00 N ATOM 898 CA GLY B 4 95.840 -18.219 25.147 1.00 0.00 C ATOM 899 C GLY B 4 94.975 -18.716 26.305 1.00 0.00 C ATOM 900 O GLY B 4 95.449 -19.362 27.220 1.00 0.00 O ATOM 0 H GLY B 4 94.928 -17.364 23.418 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.731 -18.839 25.052 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.179 -17.202 25.342 1.00 0.00 H new ATOM 904 N ILE B 5 93.710 -18.407 26.278 1.00 0.00 N ATOM 905 CA ILE B 5 92.809 -18.846 27.380 1.00 0.00 C ATOM 906 C ILE B 5 92.651 -20.368 27.366 1.00 0.00 C ATOM 907 O ILE B 5 92.618 -21.003 28.400 1.00 0.00 O ATOM 908 CB ILE B 5 91.436 -18.178 27.201 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.538 -16.701 27.590 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.388 -18.883 28.079 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.235 -15.982 27.234 1.00 0.00 C ATOM 0 H ILE B 5 93.259 -17.868 25.539 1.00 0.00 H new ATOM 0 HA ILE B 5 93.242 -18.553 28.336 1.00 0.00 H new ATOM 0 HB ILE B 5 91.128 -18.258 26.159 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.735 -16.609 28.658 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.375 -16.235 27.070 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.419 -18.403 27.945 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.316 -19.931 27.789 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.685 -18.815 29.126 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.312 -14.931 27.512 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.057 -16.061 26.162 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.407 -16.441 27.774 1.00 0.00 H new ATOM 923 N ASP B 6 92.533 -20.962 26.215 1.00 0.00 N ATOM 924 CA ASP B 6 92.357 -22.439 26.173 1.00 0.00 C ATOM 925 C ASP B 6 93.564 -23.107 26.826 1.00 0.00 C ATOM 926 O ASP B 6 93.427 -23.988 27.650 1.00 0.00 O ATOM 927 CB ASP B 6 92.227 -22.897 24.716 1.00 0.00 C ATOM 928 CG ASP B 6 91.982 -24.407 24.670 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.829 -24.800 24.730 1.00 0.00 O ATOM 930 OD2 ASP B 6 92.948 -25.145 24.575 1.00 0.00 O ATOM 0 H ASP B 6 92.550 -20.495 25.308 1.00 0.00 H new ATOM 0 HA ASP B 6 91.454 -22.720 26.715 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.405 -22.371 24.231 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.134 -22.649 24.164 1.00 0.00 H new ATOM 935 N LYS B 7 94.748 -22.696 26.470 1.00 0.00 N ATOM 936 CA LYS B 7 95.960 -23.310 27.085 1.00 0.00 C ATOM 937 C LYS B 7 96.067 -22.894 28.557 1.00 0.00 C ATOM 938 O LYS B 7 96.412 -23.685 29.414 1.00 0.00 O ATOM 939 CB LYS B 7 97.209 -22.845 26.330 1.00 0.00 C ATOM 940 CG LYS B 7 97.219 -23.473 24.934 1.00 0.00 C ATOM 941 CD LYS B 7 98.464 -23.015 24.173 1.00 0.00 C ATOM 942 CE LYS B 7 98.469 -23.644 22.779 1.00 0.00 C ATOM 943 NZ LYS B 7 97.316 -23.112 21.999 1.00 0.00 N ATOM 0 H LYS B 7 94.930 -21.965 25.783 1.00 0.00 H new ATOM 0 HA LYS B 7 95.880 -24.395 27.025 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.217 -21.758 26.252 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.107 -23.132 26.877 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.209 -24.560 25.013 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.321 -23.185 24.388 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.475 -21.928 24.093 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.363 -23.304 24.717 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.405 -23.418 22.268 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.402 -24.729 22.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.466 -23.298 20.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.441 -23.579 22.311 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.235 -22.087 22.154 1.00 0.00 H new ATOM 957 N ALA B 8 95.773 -21.657 28.854 1.00 0.00 N ATOM 958 CA ALA B 8 95.854 -21.177 30.265 1.00 0.00 C ATOM 959 C ALA B 8 94.737 -21.807 31.096 1.00 0.00 C ATOM 960 O ALA B 8 94.883 -22.028 32.282 1.00 0.00 O ATOM 961 CB ALA B 8 95.710 -19.656 30.305 1.00 0.00 C ATOM 0 H ALA B 8 95.478 -20.954 28.176 1.00 0.00 H new ATOM 0 HA ALA B 8 96.821 -21.464 30.678 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.770 -19.312 31.338 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.511 -19.199 29.723 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.746 -19.371 29.883 1.00 0.00 H new ATOM 967 N GLN B 9 93.616 -22.079 30.489 1.00 0.00 N ATOM 968 CA GLN B 9 92.488 -22.670 31.255 1.00 0.00 C ATOM 969 C GLN B 9 92.896 -24.044 31.794 1.00 0.00 C ATOM 970 O GLN B 9 93.520 -24.837 31.116 1.00 0.00 O ATOM 971 CB GLN B 9 91.271 -22.802 30.339 1.00 0.00 C ATOM 972 CG GLN B 9 90.080 -23.321 31.142 1.00 0.00 C ATOM 973 CD GLN B 9 88.851 -23.395 30.234 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.878 -22.919 29.116 1.00 0.00 O ATOM 975 NE2 GLN B 9 87.761 -23.956 30.677 1.00 0.00 N ATOM 0 H GLN B 9 93.434 -21.918 29.498 1.00 0.00 H new ATOM 0 HA GLN B 9 92.235 -22.024 32.096 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.030 -21.836 29.896 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.493 -23.483 29.518 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.304 -24.306 31.551 1.00 0.00 H new ATOM 0 HG3 GLN B 9 89.882 -22.662 31.988 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.738 -24.356 31.615 1.00 0.00 H new ATOM 0 HE22 GLN B 9 86.931 -23.995 30.085 1.00 0.00 H new ATOM 984 N GLU B 10 92.553 -24.310 33.021 1.00 0.00 N ATOM 985 CA GLU B 10 92.914 -25.610 33.655 1.00 0.00 C ATOM 986 C GLU B 10 92.213 -25.679 35.018 1.00 0.00 C ATOM 987 O GLU B 10 91.642 -24.709 35.472 1.00 0.00 O ATOM 988 CB GLU B 10 94.437 -25.673 33.848 1.00 0.00 C ATOM 989 CG GLU B 10 94.871 -27.108 34.173 1.00 0.00 C ATOM 990 CD GLU B 10 96.398 -27.182 34.205 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.994 -26.420 34.950 1.00 0.00 O ATOM 992 OE2 GLU B 10 96.947 -27.995 33.480 1.00 0.00 O ATOM 0 H GLU B 10 92.030 -23.673 33.622 1.00 0.00 H new ATOM 0 HA GLU B 10 92.603 -26.446 33.029 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.940 -25.329 32.944 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.737 -25.003 34.654 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.461 -27.415 35.135 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.478 -27.797 33.425 1.00 0.00 H new ATOM 999 N GLU B 11 92.227 -26.812 35.663 1.00 0.00 N ATOM 1000 CA GLU B 11 91.537 -26.923 36.983 1.00 0.00 C ATOM 1001 C GLU B 11 91.948 -25.757 37.892 1.00 0.00 C ATOM 1002 O GLU B 11 92.839 -24.991 37.575 1.00 0.00 O ATOM 1003 CB GLU B 11 91.901 -28.260 37.642 1.00 0.00 C ATOM 1004 CG GLU B 11 93.335 -28.217 38.182 1.00 0.00 C ATOM 1005 CD GLU B 11 93.779 -29.636 38.545 1.00 0.00 C ATOM 1006 OE1 GLU B 11 92.915 -30.469 38.768 1.00 0.00 O ATOM 1007 OE2 GLU B 11 94.977 -29.866 38.592 1.00 0.00 O ATOM 0 H GLU B 11 92.684 -27.664 35.337 1.00 0.00 H new ATOM 0 HA GLU B 11 90.459 -26.882 36.829 1.00 0.00 H new ATOM 0 HB2 GLU B 11 91.206 -28.473 38.454 1.00 0.00 H new ATOM 0 HB3 GLU B 11 91.803 -29.068 36.918 1.00 0.00 H new ATOM 0 HG2 GLU B 11 94.005 -27.794 37.434 1.00 0.00 H new ATOM 0 HG3 GLU B 11 93.387 -27.571 39.059 1.00 0.00 H new ATOM 1014 N HIS B 12 91.295 -25.614 39.019 1.00 0.00 N ATOM 1015 CA HIS B 12 91.635 -24.498 39.949 1.00 0.00 C ATOM 1016 C HIS B 12 92.950 -24.818 40.658 1.00 0.00 C ATOM 1017 O HIS B 12 92.998 -25.041 41.850 1.00 0.00 O ATOM 1018 CB HIS B 12 90.508 -24.343 40.972 1.00 0.00 C ATOM 1019 CG HIS B 12 90.876 -23.320 42.011 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.722 -21.955 41.800 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.334 -23.452 43.296 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.072 -21.327 42.943 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.452 -22.195 43.880 1.00 0.00 N ATOM 0 H HIS B 12 90.540 -26.224 39.334 1.00 0.00 H new ATOM 0 HA HIS B 12 91.748 -23.566 39.395 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.590 -24.043 40.467 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.310 -25.302 41.451 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.567 -24.388 43.781 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.047 -20.256 43.080 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.764 -21.982 44.827 1.00 0.00 H new ATOM 1031 N GLU B 13 94.017 -24.829 39.913 1.00 0.00 N ATOM 1032 CA GLU B 13 95.362 -25.118 40.482 1.00 0.00 C ATOM 1033 C GLU B 13 95.816 -23.922 41.326 1.00 0.00 C ATOM 1034 O GLU B 13 95.167 -22.895 41.351 1.00 0.00 O ATOM 1035 CB GLU B 13 96.330 -25.341 39.322 1.00 0.00 C ATOM 1036 CG GLU B 13 97.665 -25.894 39.832 1.00 0.00 C ATOM 1037 CD GLU B 13 98.474 -26.422 38.645 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.939 -26.430 37.549 1.00 0.00 O ATOM 1039 OE2 GLU B 13 99.611 -26.810 38.850 1.00 0.00 O ATOM 0 H GLU B 13 94.014 -24.646 38.910 1.00 0.00 H new ATOM 0 HA GLU B 13 95.334 -26.005 41.115 1.00 0.00 H new ATOM 0 HB2 GLU B 13 95.893 -26.036 38.605 1.00 0.00 H new ATOM 0 HB3 GLU B 13 96.497 -24.402 38.795 1.00 0.00 H new ATOM 0 HG2 GLU B 13 98.222 -25.113 40.350 1.00 0.00 H new ATOM 0 HG3 GLU B 13 97.490 -26.692 40.553 1.00 0.00 H new ATOM 1046 N LYS B 14 96.913 -24.041 42.020 1.00 0.00 N ATOM 1047 CA LYS B 14 97.384 -22.902 42.855 1.00 0.00 C ATOM 1048 C LYS B 14 97.812 -21.759 41.928 1.00 0.00 C ATOM 1049 O LYS B 14 97.824 -20.609 42.314 1.00 0.00 O ATOM 1050 CB LYS B 14 98.576 -23.341 43.712 1.00 0.00 C ATOM 1051 CG LYS B 14 98.195 -24.556 44.575 1.00 0.00 C ATOM 1052 CD LYS B 14 97.151 -24.162 45.627 1.00 0.00 C ATOM 1053 CE LYS B 14 97.090 -25.241 46.713 1.00 0.00 C ATOM 1054 NZ LYS B 14 96.067 -24.867 47.732 1.00 0.00 N ATOM 0 H LYS B 14 97.501 -24.874 42.045 1.00 0.00 H new ATOM 0 HA LYS B 14 96.581 -22.570 43.513 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.421 -23.593 43.071 1.00 0.00 H new ATOM 0 HB3 LYS B 14 98.895 -22.518 44.351 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.800 -25.350 43.941 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.083 -24.953 45.067 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.409 -23.200 46.069 1.00 0.00 H new ATOM 0 HD3 LYS B 14 96.173 -24.046 45.159 1.00 0.00 H new ATOM 0 HE2 LYS B 14 96.840 -26.205 46.269 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.066 -25.351 47.186 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 96.027 -25.600 48.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 96.324 -23.956 48.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 95.136 -24.783 47.275 1.00 0.00 H new ATOM 1068 N TYR B 15 98.158 -22.065 40.704 1.00 0.00 N ATOM 1069 CA TYR B 15 98.576 -20.989 39.754 1.00 0.00 C ATOM 1070 C TYR B 15 97.442 -19.967 39.594 1.00 0.00 C ATOM 1071 O TYR B 15 97.684 -18.809 39.321 1.00 0.00 O ATOM 1072 CB TYR B 15 98.935 -21.601 38.384 1.00 0.00 C ATOM 1073 CG TYR B 15 100.352 -22.135 38.412 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.422 -21.262 38.169 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.599 -23.487 38.683 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.737 -21.740 38.196 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.916 -23.965 38.712 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.985 -23.091 38.468 1.00 0.00 C ATOM 1079 OH TYR B 15 104.282 -23.561 38.498 1.00 0.00 O ATOM 0 H TYR B 15 98.169 -23.010 40.321 1.00 0.00 H new ATOM 0 HA TYR B 15 99.456 -20.484 40.153 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.239 -22.404 38.142 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.837 -20.847 37.603 1.00 0.00 H new ATOM 0 HD1 TYR B 15 101.231 -20.220 37.961 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.775 -24.160 38.869 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.560 -21.067 38.007 1.00 0.00 H new ATOM 0 HE2 TYR B 15 102.108 -25.007 38.922 1.00 0.00 H new ATOM 0 HH TYR B 15 104.278 -24.520 38.702 1.00 0.00 H new ATOM 1089 N HIS B 16 96.211 -20.371 39.765 1.00 0.00 N ATOM 1090 CA HIS B 16 95.095 -19.388 39.623 1.00 0.00 C ATOM 1091 C HIS B 16 95.292 -18.265 40.647 1.00 0.00 C ATOM 1092 O HIS B 16 95.080 -17.105 40.357 1.00 0.00 O ATOM 1093 CB HIS B 16 93.743 -20.076 39.893 1.00 0.00 C ATOM 1094 CG HIS B 16 93.268 -20.828 38.677 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.952 -21.271 38.550 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.905 -21.218 37.525 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.846 -21.891 37.360 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.004 -21.886 36.701 1.00 0.00 N ATOM 0 H HIS B 16 95.931 -21.325 39.994 1.00 0.00 H new ATOM 0 HA HIS B 16 95.097 -18.987 38.610 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.842 -20.762 40.734 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.001 -19.329 40.176 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.944 -21.035 37.294 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.936 -22.337 36.986 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.191 -22.288 35.783 1.00 0.00 H new ATOM 1106 N SER B 17 95.703 -18.593 41.843 1.00 0.00 N ATOM 1107 CA SER B 17 95.911 -17.525 42.860 1.00 0.00 C ATOM 1108 C SER B 17 96.992 -16.564 42.360 1.00 0.00 C ATOM 1109 O SER B 17 96.888 -15.363 42.511 1.00 0.00 O ATOM 1110 CB SER B 17 96.352 -18.148 44.186 1.00 0.00 C ATOM 1111 OG SER B 17 97.655 -18.700 44.038 1.00 0.00 O ATOM 0 H SER B 17 95.901 -19.543 42.156 1.00 0.00 H new ATOM 0 HA SER B 17 94.978 -16.983 43.016 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.352 -17.394 44.973 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.648 -18.924 44.488 1.00 0.00 H new ATOM 0 HG SER B 17 97.633 -19.416 43.369 1.00 0.00 H new ATOM 1117 N ASN B 18 98.032 -17.082 41.754 1.00 0.00 N ATOM 1118 CA ASN B 18 99.121 -16.199 41.230 1.00 0.00 C ATOM 1119 C ASN B 18 98.872 -15.892 39.752 1.00 0.00 C ATOM 1120 O ASN B 18 99.416 -16.532 38.874 1.00 0.00 O ATOM 1121 CB ASN B 18 100.467 -16.912 41.384 1.00 0.00 C ATOM 1122 CG ASN B 18 100.862 -16.941 42.860 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.413 -16.120 43.635 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.688 -17.856 43.291 1.00 0.00 N ATOM 0 H ASN B 18 98.174 -18.080 41.599 1.00 0.00 H new ATOM 0 HA ASN B 18 99.133 -15.266 41.793 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.399 -17.928 40.995 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.232 -16.398 40.802 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.954 -17.880 44.275 1.00 0.00 H new ATOM 0 HD22 ASN B 18 102.067 -18.547 42.643 1.00 0.00 H new ATOM 1131 N TRP B 19 98.050 -14.923 39.472 1.00 0.00 N ATOM 1132 CA TRP B 19 97.757 -14.572 38.053 1.00 0.00 C ATOM 1133 C TRP B 19 98.970 -13.904 37.387 1.00 0.00 C ATOM 1134 O TRP B 19 99.130 -13.966 36.183 1.00 0.00 O ATOM 1135 CB TRP B 19 96.544 -13.641 37.990 1.00 0.00 C ATOM 1136 CG TRP B 19 96.881 -12.322 38.600 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.588 -11.947 39.868 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.562 -11.199 37.984 1.00 0.00 C ATOM 1139 NE1 TRP B 19 97.047 -10.657 40.065 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.653 -10.152 38.929 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.102 -10.990 36.702 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.259 -8.938 38.613 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.715 -9.771 36.382 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.792 -8.746 37.335 1.00 0.00 C ATOM 0 H TRP B 19 97.565 -14.355 40.167 1.00 0.00 H new ATOM 0 HA TRP B 19 97.537 -15.491 37.510 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.234 -13.503 36.954 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.702 -14.090 38.517 1.00 0.00 H new ATOM 0 HD1 TRP B 19 96.080 -12.554 40.603 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.950 -10.142 40.940 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.044 -11.773 35.960 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.317 -8.151 39.350 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.130 -9.621 35.396 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.263 -7.808 37.082 1.00 0.00 H new ATOM 1155 N ARG B 20 99.812 -13.241 38.142 1.00 0.00 N ATOM 1156 CA ARG B 20 100.980 -12.547 37.510 1.00 0.00 C ATOM 1157 C ARG B 20 101.874 -13.559 36.793 1.00 0.00 C ATOM 1158 O ARG B 20 102.368 -13.302 35.709 1.00 0.00 O ATOM 1159 CB ARG B 20 101.815 -11.851 38.591 1.00 0.00 C ATOM 1160 CG ARG B 20 101.038 -10.674 39.172 1.00 0.00 C ATOM 1161 CD ARG B 20 101.887 -9.983 40.241 1.00 0.00 C ATOM 1162 NE ARG B 20 103.037 -9.291 39.591 1.00 0.00 N ATOM 1163 CZ ARG B 20 103.704 -8.382 40.246 1.00 0.00 C ATOM 1164 NH1 ARG B 20 103.366 -8.085 41.469 1.00 0.00 N ATOM 1165 NH2 ARG B 20 104.704 -7.771 39.676 1.00 0.00 N ATOM 0 H ARG B 20 99.744 -13.150 39.156 1.00 0.00 H new ATOM 0 HA ARG B 20 100.600 -11.818 36.795 1.00 0.00 H new ATOM 0 HB2 ARG B 20 102.064 -12.559 39.382 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.757 -11.502 38.167 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.782 -9.968 38.382 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.100 -11.021 39.605 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.281 -9.265 40.793 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.250 -10.715 40.962 1.00 0.00 H new ATOM 0 HE ARG B 20 103.302 -9.529 38.635 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.581 -8.563 41.912 1.00 0.00 H new ATOM 0 HH12 ARG B 20 103.886 -7.374 41.984 1.00 0.00 H new ATOM 0 HH21 ARG B 20 104.965 -8.004 38.718 1.00 0.00 H new ATOM 0 HH22 ARG B 20 105.226 -7.060 40.188 1.00 0.00 H new ATOM 1179 N ALA B 21 102.079 -14.705 37.373 1.00 0.00 N ATOM 1180 CA ALA B 21 102.937 -15.728 36.715 1.00 0.00 C ATOM 1181 C ALA B 21 102.318 -16.096 35.367 1.00 0.00 C ATOM 1182 O ALA B 21 103.008 -16.285 34.386 1.00 0.00 O ATOM 1183 CB ALA B 21 103.030 -16.974 37.596 1.00 0.00 C ATOM 0 H ALA B 21 101.690 -14.979 38.275 1.00 0.00 H new ATOM 0 HA ALA B 21 103.940 -15.327 36.567 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.659 -17.718 37.108 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.464 -16.707 38.559 1.00 0.00 H new ATOM 0 HB3 ALA B 21 102.033 -17.386 37.749 1.00 0.00 H new ATOM 1189 N MET B 22 101.020 -16.210 35.318 1.00 0.00 N ATOM 1190 CA MET B 22 100.346 -16.576 34.039 1.00 0.00 C ATOM 1191 C MET B 22 100.639 -15.519 32.973 1.00 0.00 C ATOM 1192 O MET B 22 100.962 -15.832 31.845 1.00 0.00 O ATOM 1193 CB MET B 22 98.837 -16.641 34.274 1.00 0.00 C ATOM 1194 CG MET B 22 98.153 -17.261 33.053 1.00 0.00 C ATOM 1195 SD MET B 22 96.365 -17.006 33.168 1.00 0.00 S ATOM 1196 CE MET B 22 96.113 -17.801 34.773 1.00 0.00 C ATOM 0 H MET B 22 100.394 -16.065 36.110 1.00 0.00 H new ATOM 0 HA MET B 22 100.718 -17.543 33.699 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.623 -17.234 35.163 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.444 -15.641 34.455 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.537 -16.809 32.139 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.376 -18.327 33.000 1.00 0.00 H new ATOM 0 HE1 MET B 22 95.071 -18.107 34.868 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.757 -18.677 34.850 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.359 -17.099 35.570 1.00 0.00 H new ATOM 1206 N ALA B 23 100.524 -14.269 33.319 1.00 0.00 N ATOM 1207 CA ALA B 23 100.789 -13.192 32.325 1.00 0.00 C ATOM 1208 C ALA B 23 102.248 -13.263 31.873 1.00 0.00 C ATOM 1209 O ALA B 23 102.560 -13.097 30.712 1.00 0.00 O ATOM 1210 CB ALA B 23 100.525 -11.829 32.980 1.00 0.00 C ATOM 0 H ALA B 23 100.257 -13.945 34.249 1.00 0.00 H new ATOM 0 HA ALA B 23 100.136 -13.320 31.462 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.717 -11.035 32.258 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.487 -11.778 33.308 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.184 -11.705 33.840 1.00 0.00 H new ATOM 1216 N SER B 24 103.139 -13.503 32.790 1.00 0.00 N ATOM 1217 CA SER B 24 104.584 -13.574 32.431 1.00 0.00 C ATOM 1218 C SER B 24 104.853 -14.811 31.579 1.00 0.00 C ATOM 1219 O SER B 24 105.631 -14.777 30.646 1.00 0.00 O ATOM 1220 CB SER B 24 105.416 -13.662 33.708 1.00 0.00 C ATOM 1221 OG SER B 24 106.795 -13.686 33.366 1.00 0.00 O ATOM 0 H SER B 24 102.930 -13.654 33.777 1.00 0.00 H new ATOM 0 HA SER B 24 104.854 -12.681 31.867 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.204 -12.810 34.354 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.152 -14.560 34.267 1.00 0.00 H new ATOM 0 HG SER B 24 107.334 -13.741 34.183 1.00 0.00 H new ATOM 1227 N ASP B 25 104.237 -15.908 31.903 1.00 0.00 N ATOM 1228 CA ASP B 25 104.481 -17.147 31.119 1.00 0.00 C ATOM 1229 C ASP B 25 104.040 -16.954 29.668 1.00 0.00 C ATOM 1230 O ASP B 25 104.698 -17.399 28.750 1.00 0.00 O ATOM 1231 CB ASP B 25 103.697 -18.302 31.743 1.00 0.00 C ATOM 1232 CG ASP B 25 104.324 -18.671 33.088 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.438 -18.239 33.337 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.685 -19.379 33.848 1.00 0.00 O ATOM 0 H ASP B 25 103.576 -16.002 32.675 1.00 0.00 H new ATOM 0 HA ASP B 25 105.547 -17.373 31.134 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.654 -18.016 31.881 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.705 -19.164 31.076 1.00 0.00 H new ATOM 1239 N PHE B 26 102.929 -16.295 29.451 1.00 0.00 N ATOM 1240 CA PHE B 26 102.435 -16.078 28.055 1.00 0.00 C ATOM 1241 C PHE B 26 102.756 -14.650 27.595 1.00 0.00 C ATOM 1242 O PHE B 26 102.407 -14.255 26.503 1.00 0.00 O ATOM 1243 CB PHE B 26 100.917 -16.286 28.016 1.00 0.00 C ATOM 1244 CG PHE B 26 100.586 -17.746 28.239 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.573 -18.274 29.538 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.283 -18.573 27.149 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.257 -19.625 29.743 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.972 -19.922 27.355 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.958 -20.449 28.651 1.00 0.00 C ATOM 0 H PHE B 26 102.341 -15.896 30.183 1.00 0.00 H new ATOM 0 HA PHE B 26 102.928 -16.788 27.391 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.439 -15.676 28.782 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.522 -15.958 27.054 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.806 -17.640 30.381 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.289 -18.168 26.148 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.244 -20.030 30.744 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.742 -20.557 26.512 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.717 -21.490 28.809 1.00 0.00 H new ATOM 1259 N ASN B 27 103.407 -13.868 28.416 1.00 0.00 N ATOM 1260 CA ASN B 27 103.731 -12.465 28.012 1.00 0.00 C ATOM 1261 C ASN B 27 102.439 -11.745 27.596 1.00 0.00 C ATOM 1262 O ASN B 27 102.381 -11.088 26.575 1.00 0.00 O ATOM 1263 CB ASN B 27 104.728 -12.467 26.844 1.00 0.00 C ATOM 1264 CG ASN B 27 106.063 -13.053 27.311 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.378 -13.016 28.485 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.867 -13.596 26.437 1.00 0.00 N ATOM 0 H ASN B 27 103.728 -14.138 29.346 1.00 0.00 H new ATOM 0 HA ASN B 27 104.183 -11.943 28.855 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.332 -13.053 26.015 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.874 -11.452 26.475 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.759 -13.989 26.739 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.603 -13.627 25.452 1.00 0.00 H new ATOM 1273 N LEU B 28 101.404 -11.867 28.393 1.00 0.00 N ATOM 1274 CA LEU B 28 100.096 -11.200 28.082 1.00 0.00 C ATOM 1275 C LEU B 28 99.788 -10.190 29.198 1.00 0.00 C ATOM 1276 O LEU B 28 100.203 -10.375 30.323 1.00 0.00 O ATOM 1277 CB LEU B 28 98.986 -12.260 28.046 1.00 0.00 C ATOM 1278 CG LEU B 28 99.188 -13.207 26.853 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.262 -14.417 27.012 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.863 -12.483 25.530 1.00 0.00 C ATOM 0 H LEU B 28 101.409 -12.408 29.258 1.00 0.00 H new ATOM 0 HA LEU B 28 100.151 -10.694 27.118 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.988 -12.830 28.975 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.013 -11.774 27.972 1.00 0.00 H new ATOM 0 HG LEU B 28 100.228 -13.532 26.828 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.400 -15.094 26.169 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.501 -14.939 27.939 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.226 -14.081 27.042 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.011 -13.167 24.695 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.826 -12.147 25.544 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.522 -11.622 25.415 1.00 0.00 H new ATOM 1292 N PRO B 29 99.075 -9.123 28.904 1.00 0.00 N ATOM 1293 CA PRO B 29 98.743 -8.093 29.934 1.00 0.00 C ATOM 1294 C PRO B 29 97.749 -8.631 30.982 1.00 0.00 C ATOM 1295 O PRO B 29 96.927 -9.474 30.677 1.00 0.00 O ATOM 1296 CB PRO B 29 98.119 -6.946 29.120 1.00 0.00 C ATOM 1297 CG PRO B 29 97.595 -7.588 27.874 1.00 0.00 C ATOM 1298 CD PRO B 29 98.515 -8.779 27.583 1.00 0.00 C ATOM 0 HA PRO B 29 99.619 -7.783 30.504 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.320 -6.457 29.677 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.859 -6.181 28.887 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.565 -7.917 28.010 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.597 -6.883 27.043 1.00 0.00 H new ATOM 0 HD2 PRO B 29 97.963 -9.615 27.153 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.299 -8.515 26.873 1.00 0.00 H new ATOM 1306 N PRO B 30 97.818 -8.158 32.208 1.00 0.00 N ATOM 1307 CA PRO B 30 96.900 -8.617 33.286 1.00 0.00 C ATOM 1308 C PRO B 30 95.453 -8.789 32.794 1.00 0.00 C ATOM 1309 O PRO B 30 94.662 -9.479 33.400 1.00 0.00 O ATOM 1310 CB PRO B 30 96.980 -7.495 34.335 1.00 0.00 C ATOM 1311 CG PRO B 30 98.325 -6.852 34.145 1.00 0.00 C ATOM 1312 CD PRO B 30 98.772 -7.143 32.700 1.00 0.00 C ATOM 0 HA PRO B 30 97.188 -9.596 33.669 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.177 -6.771 34.195 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.877 -7.895 35.344 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.265 -5.778 34.320 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.046 -7.252 34.858 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.742 -6.242 32.087 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.796 -7.515 32.670 1.00 0.00 H new ATOM 1320 N VAL B 31 95.095 -8.142 31.717 1.00 0.00 N ATOM 1321 CA VAL B 31 93.692 -8.253 31.218 1.00 0.00 C ATOM 1322 C VAL B 31 93.341 -9.703 30.895 1.00 0.00 C ATOM 1323 O VAL B 31 92.324 -10.207 31.329 1.00 0.00 O ATOM 1324 CB VAL B 31 93.538 -7.382 29.960 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.193 -7.656 29.275 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.601 -5.906 30.361 1.00 0.00 C ATOM 0 H VAL B 31 95.709 -7.544 31.163 1.00 0.00 H new ATOM 0 HA VAL B 31 93.011 -7.907 31.995 1.00 0.00 H new ATOM 0 HB VAL B 31 94.344 -7.622 29.266 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.103 -7.030 28.387 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.139 -8.706 28.986 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.380 -7.427 29.964 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.492 -5.283 29.473 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.795 -5.684 31.061 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.560 -5.698 30.835 1.00 0.00 H new ATOM 1336 N VAL B 32 94.150 -10.382 30.139 1.00 0.00 N ATOM 1337 CA VAL B 32 93.817 -11.793 29.813 1.00 0.00 C ATOM 1338 C VAL B 32 93.912 -12.645 31.077 1.00 0.00 C ATOM 1339 O VAL B 32 93.056 -13.459 31.350 1.00 0.00 O ATOM 1340 CB VAL B 32 94.779 -12.319 28.742 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.596 -13.832 28.584 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.481 -11.627 27.408 1.00 0.00 C ATOM 0 H VAL B 32 95.018 -10.028 29.736 1.00 0.00 H new ATOM 0 HA VAL B 32 92.800 -11.847 29.425 1.00 0.00 H new ATOM 0 HB VAL B 32 95.806 -12.109 29.042 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.281 -14.204 27.822 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.807 -14.325 29.533 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.570 -14.045 28.284 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.164 -11.999 26.644 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.454 -11.838 27.110 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.613 -10.551 27.519 1.00 0.00 H new ATOM 1352 N ALA B 33 94.946 -12.471 31.852 1.00 0.00 N ATOM 1353 CA ALA B 33 95.084 -13.281 33.096 1.00 0.00 C ATOM 1354 C ALA B 33 93.958 -12.953 34.078 1.00 0.00 C ATOM 1355 O ALA B 33 93.394 -13.835 34.694 1.00 0.00 O ATOM 1356 CB ALA B 33 96.432 -12.995 33.760 1.00 0.00 C ATOM 0 H ALA B 33 95.699 -11.806 31.679 1.00 0.00 H new ATOM 0 HA ALA B 33 95.025 -14.335 32.826 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.524 -13.591 34.668 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.238 -13.253 33.073 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.496 -11.937 34.013 1.00 0.00 H new ATOM 1362 N LYS B 34 93.623 -11.700 34.241 1.00 0.00 N ATOM 1363 CA LYS B 34 92.531 -11.362 35.194 1.00 0.00 C ATOM 1364 C LYS B 34 91.202 -11.916 34.683 1.00 0.00 C ATOM 1365 O LYS B 34 90.395 -12.410 35.446 1.00 0.00 O ATOM 1366 CB LYS B 34 92.435 -9.844 35.374 1.00 0.00 C ATOM 1367 CG LYS B 34 93.619 -9.354 36.213 1.00 0.00 C ATOM 1368 CD LYS B 34 93.557 -7.829 36.346 1.00 0.00 C ATOM 1369 CE LYS B 34 94.633 -7.343 37.327 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.111 -7.453 38.716 1.00 0.00 N ATOM 0 H LYS B 34 94.052 -10.908 33.762 1.00 0.00 H new ATOM 0 HA LYS B 34 92.755 -11.814 36.160 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.435 -9.351 34.402 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.496 -9.584 35.863 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.595 -9.817 37.200 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.557 -9.651 35.745 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.706 -7.364 35.371 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.570 -7.526 36.696 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.539 -7.939 37.217 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.903 -6.310 37.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.836 -7.125 39.386 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.258 -6.866 38.814 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.874 -8.445 38.920 1.00 0.00 H new ATOM 1384 N GLU B 35 90.956 -11.836 33.404 1.00 0.00 N ATOM 1385 CA GLU B 35 89.667 -12.355 32.872 1.00 0.00 C ATOM 1386 C GLU B 35 89.558 -13.853 33.165 1.00 0.00 C ATOM 1387 O GLU B 35 88.508 -14.350 33.527 1.00 0.00 O ATOM 1388 CB GLU B 35 89.595 -12.108 31.365 1.00 0.00 C ATOM 1389 CG GLU B 35 88.147 -12.266 30.881 1.00 0.00 C ATOM 1390 CD GLU B 35 87.752 -13.744 30.928 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.436 -14.540 30.307 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.769 -14.055 31.584 1.00 0.00 O ATOM 0 H GLU B 35 91.587 -11.437 32.710 1.00 0.00 H new ATOM 0 HA GLU B 35 88.839 -11.836 33.355 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.958 -11.107 31.134 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.242 -12.811 30.841 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.476 -11.679 31.509 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.048 -11.884 29.865 1.00 0.00 H new ATOM 1399 N ILE B 36 90.631 -14.584 33.025 1.00 0.00 N ATOM 1400 CA ILE B 36 90.561 -16.046 33.313 1.00 0.00 C ATOM 1401 C ILE B 36 90.208 -16.234 34.787 1.00 0.00 C ATOM 1402 O ILE B 36 89.429 -17.092 35.150 1.00 0.00 O ATOM 1403 CB ILE B 36 91.913 -16.700 33.018 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.167 -16.666 31.510 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.894 -18.155 33.497 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.619 -17.051 31.229 1.00 0.00 C ATOM 0 H ILE B 36 91.543 -14.238 32.727 1.00 0.00 H new ATOM 0 HA ILE B 36 89.802 -16.512 32.684 1.00 0.00 H new ATOM 0 HB ILE B 36 92.703 -16.158 33.538 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.492 -17.354 31.001 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.961 -15.670 31.118 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.857 -18.620 33.287 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.705 -18.182 34.570 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.107 -18.699 32.976 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.800 -17.027 30.154 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.285 -16.345 31.725 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.809 -18.056 31.606 1.00 0.00 H new ATOM 1418 N VAL B 37 90.773 -15.424 35.632 1.00 0.00 N ATOM 1419 CA VAL B 37 90.483 -15.530 37.086 1.00 0.00 C ATOM 1420 C VAL B 37 89.000 -15.234 37.321 1.00 0.00 C ATOM 1421 O VAL B 37 88.351 -15.863 38.132 1.00 0.00 O ATOM 1422 CB VAL B 37 91.340 -14.508 37.842 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.908 -14.447 39.310 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.812 -14.918 37.754 1.00 0.00 C ATOM 0 H VAL B 37 91.429 -14.686 35.376 1.00 0.00 H new ATOM 0 HA VAL B 37 90.715 -16.533 37.443 1.00 0.00 H new ATOM 0 HB VAL B 37 91.207 -13.524 37.393 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.522 -13.719 39.840 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.861 -14.151 39.369 1.00 0.00 H new ATOM 0 HG13 VAL B 37 91.034 -15.428 39.767 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.424 -14.193 38.291 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.942 -15.904 38.200 1.00 0.00 H new ATOM 0 HG23 VAL B 37 93.119 -14.949 36.709 1.00 0.00 H new ATOM 1434 N ALA B 38 88.474 -14.269 36.625 1.00 0.00 N ATOM 1435 CA ALA B 38 87.040 -13.902 36.799 1.00 0.00 C ATOM 1436 C ALA B 38 86.138 -15.013 36.262 1.00 0.00 C ATOM 1437 O ALA B 38 85.018 -15.182 36.707 1.00 0.00 O ATOM 1438 CB ALA B 38 86.761 -12.612 36.033 1.00 0.00 C ATOM 0 H ALA B 38 88.979 -13.712 35.936 1.00 0.00 H new ATOM 0 HA ALA B 38 86.833 -13.762 37.860 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.714 -12.336 36.155 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.394 -11.814 36.421 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.976 -12.763 34.975 1.00 0.00 H new ATOM 1444 N SER B 39 86.599 -15.761 35.300 1.00 0.00 N ATOM 1445 CA SER B 39 85.747 -16.844 34.733 1.00 0.00 C ATOM 1446 C SER B 39 85.658 -18.014 35.715 1.00 0.00 C ATOM 1447 O SER B 39 84.648 -18.684 35.798 1.00 0.00 O ATOM 1448 CB SER B 39 86.349 -17.323 33.413 1.00 0.00 C ATOM 1449 OG SER B 39 86.397 -16.234 32.501 1.00 0.00 O ATOM 0 H SER B 39 87.525 -15.671 34.882 1.00 0.00 H new ATOM 0 HA SER B 39 84.744 -16.456 34.558 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.351 -17.719 33.579 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.750 -18.134 32.999 1.00 0.00 H new ATOM 0 HG SER B 39 87.062 -15.582 32.805 1.00 0.00 H new ATOM 1455 N CYS B 40 86.691 -18.266 36.470 1.00 0.00 N ATOM 1456 CA CYS B 40 86.632 -19.394 37.448 1.00 0.00 C ATOM 1457 C CYS B 40 85.766 -18.971 38.643 1.00 0.00 C ATOM 1458 O CYS B 40 86.118 -18.083 39.394 1.00 0.00 O ATOM 1459 CB CYS B 40 88.048 -19.732 37.915 1.00 0.00 C ATOM 1460 SG CYS B 40 87.994 -21.113 39.083 1.00 0.00 S ATOM 0 H CYS B 40 87.568 -17.746 36.455 1.00 0.00 H new ATOM 0 HA CYS B 40 86.194 -20.276 36.980 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.671 -19.992 37.059 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.503 -18.861 38.388 1.00 0.00 H new ATOM 1465 N ASP B 41 84.629 -19.595 38.813 1.00 0.00 N ATOM 1466 CA ASP B 41 83.723 -19.222 39.943 1.00 0.00 C ATOM 1467 C ASP B 41 84.427 -19.441 41.286 1.00 0.00 C ATOM 1468 O ASP B 41 84.288 -18.653 42.200 1.00 0.00 O ATOM 1469 CB ASP B 41 82.453 -20.073 39.888 1.00 0.00 C ATOM 1470 CG ASP B 41 81.620 -19.663 38.669 1.00 0.00 C ATOM 1471 OD1 ASP B 41 80.821 -18.748 38.798 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.793 -20.272 37.627 1.00 0.00 O ATOM 0 H ASP B 41 84.287 -20.349 38.217 1.00 0.00 H new ATOM 0 HA ASP B 41 83.462 -18.168 39.848 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.712 -21.130 39.827 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.872 -19.940 40.801 1.00 0.00 H new ATOM 1477 N LYS B 42 85.172 -20.503 41.417 1.00 0.00 N ATOM 1478 CA LYS B 42 85.876 -20.765 42.706 1.00 0.00 C ATOM 1479 C LYS B 42 86.829 -19.611 43.033 1.00 0.00 C ATOM 1480 O LYS B 42 86.953 -19.201 44.172 1.00 0.00 O ATOM 1481 CB LYS B 42 86.673 -22.068 42.606 1.00 0.00 C ATOM 1482 CG LYS B 42 85.721 -23.267 42.576 1.00 0.00 C ATOM 1483 CD LYS B 42 86.537 -24.561 42.476 1.00 0.00 C ATOM 1484 CE LYS B 42 85.596 -25.770 42.476 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.399 -27.025 42.496 1.00 0.00 N ATOM 0 H LYS B 42 85.325 -21.201 40.689 1.00 0.00 H new ATOM 0 HA LYS B 42 85.133 -20.851 43.499 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.287 -22.059 41.706 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.352 -22.154 43.454 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.106 -23.280 43.476 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.042 -23.185 41.727 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.136 -24.555 41.565 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.232 -24.629 43.313 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.939 -25.733 43.345 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.958 -25.748 41.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.760 -27.846 42.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.009 -27.061 41.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.989 -27.046 43.352 1.00 0.00 H new ATOM 1499 N CYS B 43 87.510 -19.084 42.053 1.00 0.00 N ATOM 1500 CA CYS B 43 88.454 -17.962 42.330 1.00 0.00 C ATOM 1501 C CYS B 43 87.667 -16.672 42.587 1.00 0.00 C ATOM 1502 O CYS B 43 88.087 -15.817 43.342 1.00 0.00 O ATOM 1503 CB CYS B 43 89.354 -17.720 41.120 1.00 0.00 C ATOM 1504 SG CYS B 43 90.365 -19.178 40.776 1.00 0.00 S ATOM 0 H CYS B 43 87.455 -19.379 41.078 1.00 0.00 H new ATOM 0 HA CYS B 43 89.053 -18.229 43.201 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.744 -17.480 40.249 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.998 -16.860 41.305 1.00 0.00 H new ATOM 1509 N GLN B 44 86.542 -16.507 41.942 1.00 0.00 N ATOM 1510 CA GLN B 44 85.757 -15.252 42.124 1.00 0.00 C ATOM 1511 C GLN B 44 85.023 -15.271 43.467 1.00 0.00 C ATOM 1512 O GLN B 44 85.392 -14.580 44.392 1.00 0.00 O ATOM 1513 CB GLN B 44 84.737 -15.133 40.987 1.00 0.00 C ATOM 1514 CG GLN B 44 84.098 -13.742 41.007 1.00 0.00 C ATOM 1515 CD GLN B 44 83.087 -13.626 39.862 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.936 -13.302 40.079 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.470 -13.887 38.641 1.00 0.00 N ATOM 0 H GLN B 44 86.134 -17.186 41.299 1.00 0.00 H new ATOM 0 HA GLN B 44 86.437 -14.400 42.109 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.226 -15.305 40.028 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.968 -15.898 41.094 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.602 -13.572 41.963 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.867 -12.976 40.906 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.436 -14.159 38.457 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.804 -13.819 37.872 1.00 0.00 H new ATOM 1526 N LEU B 45 83.986 -16.051 43.582 1.00 0.00 N ATOM 1527 CA LEU B 45 83.240 -16.099 44.871 1.00 0.00 C ATOM 1528 C LEU B 45 84.053 -16.909 45.892 1.00 0.00 C ATOM 1529 O LEU B 45 84.517 -17.996 45.607 1.00 0.00 O ATOM 1530 CB LEU B 45 81.873 -16.757 44.649 1.00 0.00 C ATOM 1531 CG LEU B 45 81.085 -15.975 43.585 1.00 0.00 C ATOM 1532 CD1 LEU B 45 79.737 -16.664 43.351 1.00 0.00 C ATOM 1533 CD2 LEU B 45 80.845 -14.524 44.051 1.00 0.00 C ATOM 0 H LEU B 45 83.623 -16.655 42.844 1.00 0.00 H new ATOM 0 HA LEU B 45 83.089 -15.088 45.249 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.004 -17.791 44.330 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.314 -16.780 45.585 1.00 0.00 H new ATOM 0 HG LEU B 45 81.660 -15.955 42.660 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.173 -16.114 42.597 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.905 -17.684 43.006 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.172 -16.685 44.283 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.286 -13.984 43.287 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.276 -14.530 44.981 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.803 -14.031 44.215 1.00 0.00 H new ATOM 1545 N LYS B 46 84.236 -16.384 47.077 1.00 0.00 N ATOM 1546 CA LYS B 46 85.026 -17.114 48.116 1.00 0.00 C ATOM 1547 C LYS B 46 84.095 -18.021 48.927 1.00 0.00 C ATOM 1548 O LYS B 46 83.154 -17.563 49.541 1.00 0.00 O ATOM 1549 CB LYS B 46 85.680 -16.091 49.045 1.00 0.00 C ATOM 1550 CG LYS B 46 86.719 -15.289 48.261 1.00 0.00 C ATOM 1551 CD LYS B 46 87.381 -14.260 49.180 1.00 0.00 C ATOM 1552 CE LYS B 46 88.418 -13.461 48.391 1.00 0.00 C ATOM 1553 NZ LYS B 46 89.023 -12.425 49.273 1.00 0.00 N ATOM 0 H LYS B 46 83.871 -15.478 47.371 1.00 0.00 H new ATOM 0 HA LYS B 46 85.792 -17.725 47.638 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.925 -15.423 49.459 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.153 -16.597 49.886 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.473 -15.959 47.848 1.00 0.00 H new ATOM 0 HG3 LYS B 46 86.244 -14.786 47.419 1.00 0.00 H new ATOM 0 HD2 LYS B 46 86.628 -13.589 49.594 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.858 -14.762 50.022 1.00 0.00 H new ATOM 0 HE2 LYS B 46 89.192 -14.127 48.010 1.00 0.00 H new ATOM 0 HE3 LYS B 46 87.949 -12.990 47.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.729 -11.881 48.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 88.279 -11.784 49.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 89.484 -12.885 50.084 1.00 0.00 H new ATOM 1567 N GLY B 47 84.354 -19.305 48.928 1.00 0.00 N ATOM 1568 CA GLY B 47 83.490 -20.259 49.695 1.00 0.00 C ATOM 1569 C GLY B 47 82.015 -19.899 49.506 1.00 0.00 C ATOM 1570 O GLY B 47 81.622 -19.384 48.479 1.00 0.00 O ATOM 0 H GLY B 47 85.131 -19.737 48.428 1.00 0.00 H new ATOM 0 HA2 GLY B 47 83.670 -21.279 49.355 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.748 -20.225 50.753 1.00 0.00 H new ATOM 1574 N GLU B 48 81.196 -20.159 50.494 1.00 0.00 N ATOM 1575 CA GLU B 48 79.743 -19.827 50.377 1.00 0.00 C ATOM 1576 C GLU B 48 79.489 -18.448 50.988 1.00 0.00 C ATOM 1577 O GLU B 48 79.991 -18.128 52.048 1.00 0.00 O ATOM 1578 CB GLU B 48 78.914 -20.868 51.130 1.00 0.00 C ATOM 1579 CG GLU B 48 79.033 -22.222 50.429 1.00 0.00 C ATOM 1580 CD GLU B 48 78.305 -23.285 51.251 1.00 0.00 C ATOM 1581 OE1 GLU B 48 77.798 -22.942 52.306 1.00 0.00 O ATOM 1582 OE2 GLU B 48 78.266 -24.423 50.811 1.00 0.00 O ATOM 0 H GLU B 48 81.471 -20.587 51.378 1.00 0.00 H new ATOM 0 HA GLU B 48 79.457 -19.826 49.325 1.00 0.00 H new ATOM 0 HB2 GLU B 48 79.261 -20.949 52.160 1.00 0.00 H new ATOM 0 HB3 GLU B 48 77.870 -20.558 51.169 1.00 0.00 H new ATOM 0 HG2 GLU B 48 78.605 -22.165 49.428 1.00 0.00 H new ATOM 0 HG3 GLU B 48 80.082 -22.492 50.312 1.00 0.00 H new ATOM 1589 N ALA B 49 78.716 -17.631 50.329 1.00 0.00 N ATOM 1590 CA ALA B 49 78.429 -16.272 50.868 1.00 0.00 C ATOM 1591 C ALA B 49 77.479 -16.379 52.066 1.00 0.00 C ATOM 1592 O ALA B 49 76.612 -17.230 52.107 1.00 0.00 O ATOM 1593 CB ALA B 49 77.781 -15.425 49.772 1.00 0.00 C ATOM 0 H ALA B 49 78.269 -17.846 49.438 1.00 0.00 H new ATOM 0 HA ALA B 49 79.359 -15.804 51.192 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.568 -14.429 50.160 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.460 -15.346 48.923 1.00 0.00 H new ATOM 0 HB3 ALA B 49 76.852 -15.895 49.450 1.00 0.00 H new ATOM 1599 N MET B 50 77.626 -15.518 53.039 1.00 0.00 N ATOM 1600 CA MET B 50 76.718 -15.574 54.224 1.00 0.00 C ATOM 1601 C MET B 50 76.880 -14.304 55.060 1.00 0.00 C ATOM 1602 O MET B 50 77.964 -13.770 55.193 1.00 0.00 O ATOM 1603 CB MET B 50 77.050 -16.798 55.083 1.00 0.00 C ATOM 1604 CG MET B 50 78.529 -16.776 55.473 1.00 0.00 C ATOM 1605 SD MET B 50 78.921 -18.251 56.449 1.00 0.00 S ATOM 1606 CE MET B 50 78.626 -19.490 55.160 1.00 0.00 C ATOM 0 H MET B 50 78.332 -14.782 53.065 1.00 0.00 H new ATOM 0 HA MET B 50 75.688 -15.650 53.876 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.429 -16.803 55.979 1.00 0.00 H new ATOM 0 HB3 MET B 50 76.824 -17.711 54.533 1.00 0.00 H new ATOM 0 HG2 MET B 50 79.151 -16.743 54.579 1.00 0.00 H new ATOM 0 HG3 MET B 50 78.751 -15.877 56.048 1.00 0.00 H new ATOM 0 HE1 MET B 50 79.220 -20.380 55.368 1.00 0.00 H new ATOM 0 HE2 MET B 50 77.569 -19.755 55.145 1.00 0.00 H new ATOM 0 HE3 MET B 50 78.911 -19.081 54.191 1.00 0.00 H new ATOM 1616 N HIS B 51 75.801 -13.812 55.618 1.00 0.00 N ATOM 1617 CA HIS B 51 75.869 -12.570 56.447 1.00 0.00 C ATOM 1618 C HIS B 51 75.876 -12.929 57.938 1.00 0.00 C ATOM 1619 O HIS B 51 76.916 -13.121 58.536 1.00 0.00 O ATOM 1620 CB HIS B 51 74.651 -11.696 56.143 1.00 0.00 C ATOM 1621 CG HIS B 51 74.714 -10.451 56.984 1.00 0.00 C ATOM 1622 ND1 HIS B 51 75.654 -9.455 56.761 1.00 0.00 N ATOM 1623 CD2 HIS B 51 73.974 -10.031 58.064 1.00 0.00 C ATOM 1624 CE1 HIS B 51 75.458 -8.495 57.686 1.00 0.00 C ATOM 1625 NE2 HIS B 51 74.449 -8.799 58.502 1.00 0.00 N ATOM 0 H HIS B 51 74.870 -14.221 55.534 1.00 0.00 H new ATOM 0 HA HIS B 51 76.785 -12.030 56.208 1.00 0.00 H new ATOM 0 HB2 HIS B 51 74.631 -11.434 55.085 1.00 0.00 H new ATOM 0 HB3 HIS B 51 73.733 -12.245 56.353 1.00 0.00 H new ATOM 0 HD2 HIS B 51 73.151 -10.574 58.504 1.00 0.00 H new ATOM 0 HE1 HIS B 51 76.045 -7.592 57.757 1.00 0.00 H new ATOM 0 HE2 HIS B 51 74.099 -8.245 59.283 1.00 0.00 H new ATOM 1633 N GLY B 52 74.719 -13.017 58.544 1.00 0.00 N ATOM 1634 CA GLY B 52 74.647 -13.360 59.997 1.00 0.00 C ATOM 1635 C GLY B 52 74.600 -14.878 60.159 1.00 0.00 C ATOM 1636 O GLY B 52 73.965 -15.570 59.386 1.00 0.00 O ATOM 0 H GLY B 52 73.817 -12.865 58.093 1.00 0.00 H new ATOM 0 HA2 GLY B 52 75.512 -12.954 60.521 1.00 0.00 H new ATOM 0 HA3 GLY B 52 73.762 -12.908 60.445 1.00 0.00 H new ATOM 1640 N GLN B 53 75.266 -15.406 61.157 1.00 0.00 N ATOM 1641 CA GLN B 53 75.264 -16.889 61.373 1.00 0.00 C ATOM 1642 C GLN B 53 74.424 -17.228 62.608 1.00 0.00 C ATOM 1643 O GLN B 53 74.721 -16.801 63.707 1.00 0.00 O ATOM 1644 CB GLN B 53 76.700 -17.372 61.597 1.00 0.00 C ATOM 1645 CG GLN B 53 76.709 -18.897 61.733 1.00 0.00 C ATOM 1646 CD GLN B 53 78.151 -19.399 61.795 1.00 0.00 C ATOM 1647 OE1 GLN B 53 79.079 -18.652 61.557 1.00 0.00 O ATOM 1648 NE2 GLN B 53 78.381 -20.648 62.100 1.00 0.00 N ATOM 0 H GLN B 53 75.813 -14.873 61.834 1.00 0.00 H new ATOM 0 HA GLN B 53 74.841 -17.380 60.497 1.00 0.00 H new ATOM 0 HB2 GLN B 53 77.332 -17.067 60.763 1.00 0.00 H new ATOM 0 HB3 GLN B 53 77.114 -16.913 62.495 1.00 0.00 H new ATOM 0 HG2 GLN B 53 76.171 -19.195 62.633 1.00 0.00 H new ATOM 0 HG3 GLN B 53 76.192 -19.350 60.887 1.00 0.00 H new ATOM 0 HE21 GLN B 53 77.602 -21.276 62.300 1.00 0.00 H new ATOM 0 HE22 GLN B 53 79.339 -20.996 62.138 1.00 0.00 H new ATOM 1657 N VAL B 54 73.383 -18.011 62.435 1.00 0.00 N ATOM 1658 CA VAL B 54 72.516 -18.400 63.591 1.00 0.00 C ATOM 1659 C VAL B 54 72.844 -19.836 64.009 1.00 0.00 C ATOM 1660 O VAL B 54 72.859 -20.746 63.203 1.00 0.00 O ATOM 1661 CB VAL B 54 71.041 -18.304 63.179 1.00 0.00 C ATOM 1662 CG1 VAL B 54 70.727 -19.348 62.104 1.00 0.00 C ATOM 1663 CG2 VAL B 54 70.145 -18.547 64.398 1.00 0.00 C ATOM 0 H VAL B 54 73.097 -18.399 61.536 1.00 0.00 H new ATOM 0 HA VAL B 54 72.699 -17.728 64.430 1.00 0.00 H new ATOM 0 HB VAL B 54 70.852 -17.308 62.780 1.00 0.00 H new ATOM 0 HG11 VAL B 54 69.678 -19.272 61.818 1.00 0.00 H new ATOM 0 HG12 VAL B 54 71.355 -19.171 61.231 1.00 0.00 H new ATOM 0 HG13 VAL B 54 70.925 -20.345 62.497 1.00 0.00 H new ATOM 0 HG21 VAL B 54 69.099 -18.478 64.100 1.00 0.00 H new ATOM 0 HG22 VAL B 54 70.342 -19.540 64.802 1.00 0.00 H new ATOM 0 HG23 VAL B 54 70.356 -17.797 65.160 1.00 0.00 H new ATOM 1673 N ASP B 55 73.112 -20.042 65.270 1.00 0.00 N ATOM 1674 CA ASP B 55 73.442 -21.412 65.765 1.00 0.00 C ATOM 1675 C ASP B 55 72.157 -22.112 66.201 1.00 0.00 C ATOM 1676 O ASP B 55 71.100 -21.526 66.034 1.00 0.00 O ATOM 1677 CB ASP B 55 74.387 -21.300 66.961 1.00 0.00 C ATOM 1678 CG ASP B 55 73.686 -20.531 68.083 1.00 0.00 C ATOM 1679 OD1 ASP B 55 73.301 -19.399 67.846 1.00 0.00 O ATOM 1680 OD2 ASP B 55 73.541 -21.088 69.158 1.00 0.00 O ATOM 1681 OXT ASP B 55 72.249 -23.221 66.700 1.00 0.00 O ATOM 0 H ASP B 55 73.117 -19.315 65.985 1.00 0.00 H new ATOM 0 HA ASP B 55 73.921 -21.985 64.971 1.00 0.00 H new ATOM 0 HB2 ASP B 55 74.674 -22.293 67.308 1.00 0.00 H new ATOM 0 HB3 ASP B 55 75.304 -20.787 66.669 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.195 -1.857 36.180 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.162 -21.151 39.915 1.00 0.00 ZN