USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 972 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 TYR OH : rot -19:sc= 1.67 USER MOD Set 1.2: A 99 GLN : amide:sc= 0.847 K(o=4.4,f=2.4) USER MOD Set 1.3: A 101 SER OG : rot 168:sc= 0.737 USER MOD Set 1.4: A 112 SER OG : rot 97:sc= 1.19 USER MOD Set 2.1: A 93 ASN : amide:sc= -0.0636 K(o=0.85,f=-1.7) USER MOD Set 2.2: A 98 HIS : no HE2:sc= 0.925 K(o=0.85,f=-4.9!) USER MOD Set 2.3: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.4: A 113 THR OG1 : rot 180:sc= -0.0131 USER MOD Set 3.1: A 72 GLN : amide:sc= 0.13 K(o=0.27,f=-0.31) USER MOD Set 3.2: A 78 THR OG1 : rot 180:sc= 0.139 USER MOD Set 4.1: A 67 LYS NZ :NH3+ -177:sc= 1.18 (180deg=-0.0532) USER MOD Set 4.2: A 70 ASN : amide:sc= 1.17 K(o=2.4,f=-8.3!) USER MOD Set 5.1: A 51 GLN : amide:sc= 1.59 K(o=2.2,f=-4.2!) USER MOD Set 5.2: A 61 ASN : amide:sc= 0.653 K(o=2.2,f=-4.2) USER MOD Set 6.1: A 53 TYR OH : rot 106:sc= 1.31 USER MOD Set 6.2: A 57 HIS : no HD1:sc= 0.00444 K(o=1.3,f=-6.6!) USER MOD Set 7.1: A 50 SER OG : rot 180:sc= -0.0632 USER MOD Set 7.2: A 52 HIS : no HD1:sc= 0.41 K(o=1.5,f=-12!) USER MOD Set 7.3: A 58 THR OG1 : rot -74:sc= 1.19 USER MOD Set 8.1: A 18 MET CE :methyl -161:sc= -1.47 (180deg=-2.01) USER MOD Set 8.2: A 119 TYR OH : rot 180:sc=-0.00775 USER MOD Set 9.1: A 1 ALA N :NH3+ 166:sc= 1.13 (180deg=0) USER MOD Set 9.2: A 42 GLN : amide:sc= 1.12 K(o=2.2,f=-11!) USER MOD Single : A 3 THR OG1 : rot 96:sc= 0.85 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -176:sc= 0 (180deg=-0.008) USER MOD Single : A 10 SER OG : rot 73:sc= -0.373 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.43 K(o=0.43,f=-0.37) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -146:sc= -0.107 (180deg=-0.75) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.012 USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 1.44 (180deg=1.35) USER MOD Single : A 33 ASN : amide:sc= -0.0809 X(o=-0.081,f=-0.48) USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= 0.585 (180deg=-1.62) USER MOD Single : A 38 THR OG1 : rot 170:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.894 K(o=0.89,f=-0.075) USER MOD Single : A 45 GLN : amide:sc= -0.0276 K(o=-0.028,f=-2.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -177:sc= -0.25 (180deg=-0.259) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -97:sc= 1.29 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.538 USER MOD Single : A 74 MET CE :methyl -164:sc=-0.00775 (180deg=-0.387) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -171:sc=-0.00185 (180deg=-0.0809) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl -121:sc= -0.187 (180deg=-0.357) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 0.67 (180deg=0.322) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.244 USER MOD Single : A 124 LYS NZ :NH3+ -169:sc= 2.08 (180deg=1.42) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.903 11.525 12.678 1.00 0.66 N ATOM 2 CA ALA A 1 -23.705 11.852 13.501 1.00 0.48 C ATOM 3 C ALA A 1 -23.416 13.349 13.444 1.00 0.53 C ATOM 4 O ALA A 1 -22.466 13.806 12.890 1.00 1.01 O ATOM 5 CB ALA A 1 -22.380 11.161 12.943 1.00 0.50 C ATOM 0 H1 ALA A 1 -24.952 10.497 12.530 1.00 0.66 H new ATOM 0 H2 ALA A 1 -25.761 11.845 13.171 1.00 0.66 H new ATOM 0 H3 ALA A 1 -24.834 12.005 11.758 1.00 0.66 H new ATOM 0 HA ALA A 1 -23.936 11.500 14.507 1.00 0.48 H new ATOM 0 HB1 ALA A 1 -21.535 11.430 13.577 1.00 0.50 H new ATOM 0 HB2 ALA A 1 -22.506 10.078 12.946 1.00 0.50 H new ATOM 0 HB3 ALA A 1 -22.193 11.502 11.925 1.00 0.50 H new ATOM 13 N PHE A 2 -24.216 14.183 14.179 1.00 0.29 N ATOM 14 CA PHE A 2 -24.322 15.660 13.913 1.00 0.26 C ATOM 15 C PHE A 2 -24.048 16.439 15.174 1.00 0.27 C ATOM 16 O PHE A 2 -24.005 17.659 15.224 1.00 0.36 O ATOM 17 CB PHE A 2 -25.770 16.014 13.461 1.00 0.26 C ATOM 18 CG PHE A 2 -25.968 15.752 12.045 1.00 0.25 C ATOM 19 CD1 PHE A 2 -25.339 16.444 11.035 1.00 0.27 C ATOM 20 CD2 PHE A 2 -27.013 14.863 11.704 1.00 0.24 C ATOM 21 CE1 PHE A 2 -25.694 16.233 9.683 1.00 0.27 C ATOM 22 CE2 PHE A 2 -27.408 14.658 10.388 1.00 0.25 C ATOM 23 CZ PHE A 2 -26.766 15.324 9.334 1.00 0.25 C ATOM 0 H PHE A 2 -24.794 13.863 14.956 1.00 0.29 H new ATOM 0 HA PHE A 2 -23.597 15.914 13.139 1.00 0.26 H new ATOM 0 HB2 PHE A 2 -26.486 15.433 14.043 1.00 0.26 H new ATOM 0 HB3 PHE A 2 -25.970 17.065 13.668 1.00 0.26 H new ATOM 0 HD1 PHE A 2 -24.565 17.157 11.278 1.00 0.27 H new ATOM 0 HD2 PHE A 2 -27.520 14.326 12.492 1.00 0.24 H new ATOM 0 HE1 PHE A 2 -25.160 16.755 8.902 1.00 0.27 H new ATOM 0 HE2 PHE A 2 -28.219 13.978 10.174 1.00 0.25 H new ATOM 0 HZ PHE A 2 -27.058 15.166 8.306 1.00 0.25 H new ATOM 33 N THR A 3 -23.795 15.712 16.287 1.00 0.23 N ATOM 34 CA THR A 3 -23.485 16.238 17.597 1.00 0.22 C ATOM 35 C THR A 3 -22.340 17.271 17.697 1.00 0.23 C ATOM 36 O THR A 3 -21.284 17.008 17.151 1.00 0.27 O ATOM 37 CB THR A 3 -23.072 15.104 18.543 1.00 0.26 C ATOM 38 OG1 THR A 3 -24.268 14.412 18.794 1.00 0.27 O ATOM 39 CG2 THR A 3 -22.551 15.585 19.966 1.00 0.27 C ATOM 0 H THR A 3 -23.807 14.692 16.273 1.00 0.23 H new ATOM 0 HA THR A 3 -24.413 16.745 17.859 1.00 0.22 H new ATOM 0 HB THR A 3 -22.262 14.543 18.077 1.00 0.26 H new ATOM 0 HG1 THR A 3 -24.337 13.647 18.186 1.00 0.27 H new ATOM 0 HG21 THR A 3 -22.282 14.717 20.567 1.00 0.27 H new ATOM 0 HG22 THR A 3 -21.676 16.222 19.837 1.00 0.27 H new ATOM 0 HG23 THR A 3 -23.337 16.146 20.471 1.00 0.27 H new ATOM 47 N GLY A 4 -22.518 18.451 18.371 1.00 0.22 N ATOM 48 CA GLY A 4 -21.348 19.316 18.666 1.00 0.25 C ATOM 49 C GLY A 4 -21.866 20.671 18.914 1.00 0.26 C ATOM 50 O GLY A 4 -22.970 20.866 19.381 1.00 0.46 O ATOM 0 H GLY A 4 -23.416 18.804 18.702 1.00 0.22 H new ATOM 0 HA2 GLY A 4 -20.804 18.946 19.535 1.00 0.25 H new ATOM 0 HA3 GLY A 4 -20.649 19.317 17.830 1.00 0.25 H new ATOM 54 N LYS A 5 -21.066 21.679 18.498 1.00 0.24 N ATOM 55 CA LYS A 5 -21.378 23.127 18.445 1.00 0.23 C ATOM 56 C LYS A 5 -20.878 23.735 17.119 1.00 0.20 C ATOM 57 O LYS A 5 -19.769 23.390 16.704 1.00 0.22 O ATOM 58 CB LYS A 5 -20.811 23.849 19.692 1.00 0.30 C ATOM 59 CG LYS A 5 -21.491 25.191 20.059 1.00 0.36 C ATOM 60 CD LYS A 5 -21.034 26.468 19.329 1.00 0.38 C ATOM 61 CE LYS A 5 -19.642 26.971 19.723 1.00 0.41 C ATOM 62 NZ LYS A 5 -19.610 27.696 21.013 1.00 0.73 N ATOM 0 H LYS A 5 -20.120 21.490 18.167 1.00 0.24 H new ATOM 0 HA LYS A 5 -22.459 23.267 18.468 1.00 0.23 H new ATOM 0 HB2 LYS A 5 -20.892 23.177 20.546 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -19.749 24.033 19.531 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -22.562 25.077 19.890 1.00 0.36 H new ATOM 0 HG3 LYS A 5 -21.352 25.352 21.128 1.00 0.36 H new ATOM 0 HD2 LYS A 5 -21.046 26.280 18.255 1.00 0.38 H new ATOM 0 HD3 LYS A 5 -21.759 27.259 19.522 1.00 0.38 H new ATOM 0 HE2 LYS A 5 -18.961 26.121 19.778 1.00 0.41 H new ATOM 0 HE3 LYS A 5 -19.268 27.629 18.938 1.00 0.41 H new ATOM 0 HZ1 LYS A 5 -18.638 28.006 21.213 1.00 0.73 H new ATOM 0 HZ2 LYS A 5 -20.234 28.526 20.960 1.00 0.73 H new ATOM 0 HZ3 LYS A 5 -19.936 27.066 21.773 1.00 0.73 H new ATOM 76 N PHE A 6 -21.656 24.637 16.502 1.00 0.22 N ATOM 77 CA PHE A 6 -21.563 25.121 15.130 1.00 0.25 C ATOM 78 C PHE A 6 -21.864 26.627 15.159 1.00 0.23 C ATOM 79 O PHE A 6 -22.691 27.084 15.937 1.00 0.27 O ATOM 80 CB PHE A 6 -22.586 24.320 14.300 1.00 0.43 C ATOM 81 CG PHE A 6 -22.502 22.828 14.563 1.00 0.28 C ATOM 82 CD1 PHE A 6 -21.484 22.080 13.959 1.00 0.30 C ATOM 83 CD2 PHE A 6 -23.313 22.219 15.536 1.00 0.24 C ATOM 84 CE1 PHE A 6 -21.292 20.731 14.304 1.00 0.23 C ATOM 85 CE2 PHE A 6 -23.130 20.871 15.870 1.00 0.26 C ATOM 86 CZ PHE A 6 -22.114 20.126 15.258 1.00 0.24 C ATOM 0 H PHE A 6 -22.429 25.080 16.998 1.00 0.22 H new ATOM 0 HA PHE A 6 -20.579 24.984 14.681 1.00 0.25 H new ATOM 0 HB2 PHE A 6 -23.592 24.671 14.531 1.00 0.43 H new ATOM 0 HB3 PHE A 6 -22.418 24.509 13.240 1.00 0.43 H new ATOM 0 HD1 PHE A 6 -20.842 22.542 13.224 1.00 0.30 H new ATOM 0 HD2 PHE A 6 -24.082 22.794 16.029 1.00 0.24 H new ATOM 0 HE1 PHE A 6 -20.507 20.161 13.830 1.00 0.23 H new ATOM 0 HE2 PHE A 6 -23.774 20.405 16.601 1.00 0.26 H new ATOM 0 HZ PHE A 6 -21.967 19.089 15.522 1.00 0.24 H new ATOM 96 N GLU A 7 -21.171 27.426 14.357 1.00 0.25 N ATOM 97 CA GLU A 7 -21.329 28.885 14.276 1.00 0.32 C ATOM 98 C GLU A 7 -21.477 29.312 12.813 1.00 0.32 C ATOM 99 O GLU A 7 -20.878 28.891 11.834 1.00 0.37 O ATOM 100 CB GLU A 7 -20.136 29.586 14.933 1.00 0.44 C ATOM 101 CG GLU A 7 -19.970 29.259 16.428 1.00 1.10 C ATOM 102 CD GLU A 7 -18.658 29.767 17.035 1.00 1.18 C ATOM 103 OE1 GLU A 7 -17.743 30.086 16.239 1.00 1.98 O ATOM 104 OE2 GLU A 7 -18.495 29.536 18.259 1.00 1.10 O ATOM 0 H GLU A 7 -20.457 27.070 13.721 1.00 0.25 H new ATOM 0 HA GLU A 7 -22.231 29.177 14.814 1.00 0.32 H new ATOM 0 HB2 GLU A 7 -19.225 29.304 14.405 1.00 0.44 H new ATOM 0 HB3 GLU A 7 -20.251 30.664 14.817 1.00 0.44 H new ATOM 0 HG2 GLU A 7 -20.805 29.692 16.979 1.00 1.10 H new ATOM 0 HG3 GLU A 7 -20.026 28.179 16.562 1.00 1.10 H new ATOM 111 N MET A 8 -22.606 29.920 12.509 1.00 0.37 N ATOM 112 CA MET A 8 -23.056 30.296 11.151 1.00 0.35 C ATOM 113 C MET A 8 -22.807 31.773 10.801 1.00 0.42 C ATOM 114 O MET A 8 -23.116 32.659 11.586 1.00 0.67 O ATOM 115 CB MET A 8 -24.529 29.891 10.966 1.00 0.39 C ATOM 116 CG MET A 8 -25.097 30.213 9.577 1.00 0.51 C ATOM 117 SD MET A 8 -25.886 31.837 9.424 1.00 0.97 S ATOM 118 CE MET A 8 -27.424 31.648 10.364 1.00 0.35 C ATOM 0 H MET A 8 -23.280 30.186 13.227 1.00 0.37 H new ATOM 0 HA MET A 8 -22.443 29.743 10.439 1.00 0.35 H new ATOM 0 HB2 MET A 8 -24.626 28.821 11.147 1.00 0.39 H new ATOM 0 HB3 MET A 8 -25.132 30.398 11.720 1.00 0.39 H new ATOM 0 HG2 MET A 8 -24.289 30.149 8.848 1.00 0.51 H new ATOM 0 HG3 MET A 8 -25.826 29.446 9.313 1.00 0.51 H new ATOM 0 HE1 MET A 8 -28.018 32.558 10.277 1.00 0.35 H new ATOM 0 HE2 MET A 8 -27.991 30.806 9.968 1.00 0.35 H new ATOM 0 HE3 MET A 8 -27.189 31.466 11.413 1.00 0.35 H new ATOM 128 N GLU A 9 -22.465 31.973 9.528 1.00 0.45 N ATOM 129 CA GLU A 9 -22.167 33.243 8.872 1.00 0.55 C ATOM 130 C GLU A 9 -22.658 33.133 7.385 1.00 0.57 C ATOM 131 O GLU A 9 -21.942 32.810 6.432 1.00 1.27 O ATOM 132 CB GLU A 9 -20.626 33.485 9.008 1.00 1.10 C ATOM 133 CG GLU A 9 -19.999 33.483 10.441 1.00 1.63 C ATOM 134 CD GLU A 9 -18.702 32.645 10.599 1.00 2.20 C ATOM 135 OE1 GLU A 9 -17.800 32.749 9.740 1.00 2.52 O ATOM 136 OE2 GLU A 9 -18.535 31.966 11.651 1.00 2.75 O ATOM 0 H GLU A 9 -22.383 31.189 8.880 1.00 0.45 H new ATOM 0 HA GLU A 9 -22.675 34.097 9.319 1.00 0.55 H new ATOM 0 HB2 GLU A 9 -20.116 32.721 8.421 1.00 1.10 H new ATOM 0 HB3 GLU A 9 -20.398 34.446 8.547 1.00 1.10 H new ATOM 0 HG2 GLU A 9 -19.783 34.513 10.726 1.00 1.63 H new ATOM 0 HG3 GLU A 9 -20.742 33.107 11.144 1.00 1.63 H new ATOM 143 N SER A 10 -23.984 33.030 7.118 1.00 0.59 N ATOM 144 CA SER A 10 -24.464 32.376 5.980 1.00 0.94 C ATOM 145 C SER A 10 -25.926 32.585 5.691 1.00 0.68 C ATOM 146 O SER A 10 -26.765 31.852 6.193 1.00 1.26 O ATOM 147 CB SER A 10 -24.228 30.788 5.962 1.00 1.86 C ATOM 148 OG SER A 10 -24.192 30.278 4.663 1.00 2.52 O ATOM 0 H SER A 10 -24.714 33.415 7.718 1.00 0.59 H new ATOM 0 HA SER A 10 -23.859 32.857 5.211 1.00 0.94 H new ATOM 0 HB2 SER A 10 -23.291 30.555 6.469 1.00 1.86 H new ATOM 0 HB3 SER A 10 -25.024 30.297 6.522 1.00 1.86 H new ATOM 0 HG SER A 10 -23.351 30.538 4.233 1.00 2.52 H new ATOM 154 N GLU A 11 -26.235 33.635 4.883 1.00 0.49 N ATOM 155 CA GLU A 11 -27.620 33.903 4.575 1.00 0.37 C ATOM 156 C GLU A 11 -27.877 34.216 3.112 1.00 0.30 C ATOM 157 O GLU A 11 -27.166 35.093 2.586 1.00 0.40 O ATOM 158 CB GLU A 11 -28.250 34.988 5.572 1.00 0.77 C ATOM 159 CG GLU A 11 -27.742 34.975 7.058 1.00 0.96 C ATOM 160 CD GLU A 11 -26.431 35.809 7.120 1.00 1.37 C ATOM 161 OE1 GLU A 11 -26.460 37.022 6.818 1.00 1.76 O ATOM 162 OE2 GLU A 11 -25.428 35.276 7.623 1.00 1.92 O ATOM 0 H GLU A 11 -25.559 34.271 4.461 1.00 0.49 H new ATOM 0 HA GLU A 11 -28.152 32.967 4.747 1.00 0.37 H new ATOM 0 HB2 GLU A 11 -28.060 35.978 5.158 1.00 0.77 H new ATOM 0 HB3 GLU A 11 -29.331 34.850 5.583 1.00 0.77 H new ATOM 0 HG2 GLU A 11 -28.495 35.398 7.723 1.00 0.96 H new ATOM 0 HG3 GLU A 11 -27.561 33.953 7.391 1.00 0.96 H new ATOM 169 N LYS A 12 -28.793 33.493 2.374 1.00 0.24 N ATOM 170 CA LYS A 12 -28.976 33.654 0.955 1.00 0.23 C ATOM 171 C LYS A 12 -30.444 33.209 0.803 1.00 0.18 C ATOM 172 O LYS A 12 -30.761 32.137 1.322 1.00 0.19 O ATOM 173 CB LYS A 12 -27.993 32.806 0.071 1.00 0.32 C ATOM 174 CG LYS A 12 -28.232 32.686 -1.394 1.00 0.41 C ATOM 175 CD LYS A 12 -27.950 34.025 -2.098 1.00 0.53 C ATOM 176 CE LYS A 12 -27.936 33.905 -3.610 1.00 1.24 C ATOM 177 NZ LYS A 12 -27.712 35.234 -4.233 1.00 1.90 N ATOM 0 H LYS A 12 -29.407 32.791 2.786 1.00 0.24 H new ATOM 0 HA LYS A 12 -28.762 34.664 0.607 1.00 0.23 H new ATOM 0 HB2 LYS A 12 -26.994 33.222 0.205 1.00 0.32 H new ATOM 0 HB3 LYS A 12 -27.975 31.796 0.481 1.00 0.32 H new ATOM 0 HG2 LYS A 12 -27.592 31.908 -1.810 1.00 0.41 H new ATOM 0 HG3 LYS A 12 -29.263 32.383 -1.577 1.00 0.41 H new ATOM 0 HD2 LYS A 12 -28.707 34.751 -1.803 1.00 0.53 H new ATOM 0 HD3 LYS A 12 -26.989 34.412 -1.760 1.00 0.53 H new ATOM 0 HE2 LYS A 12 -27.151 33.215 -3.919 1.00 1.24 H new ATOM 0 HE3 LYS A 12 -28.882 33.489 -3.957 1.00 1.24 H new ATOM 0 HZ1 LYS A 12 -27.705 35.135 -5.268 1.00 1.90 H new ATOM 0 HZ2 LYS A 12 -28.475 35.882 -3.952 1.00 1.90 H new ATOM 0 HZ3 LYS A 12 -26.799 35.617 -3.916 1.00 1.90 H new ATOM 191 N ASN A 13 -31.297 34.033 0.187 1.00 0.18 N ATOM 192 CA ASN A 13 -32.739 33.788 -0.014 1.00 0.16 C ATOM 193 C ASN A 13 -33.551 33.501 1.277 1.00 0.17 C ATOM 194 O ASN A 13 -34.675 33.014 1.243 1.00 0.19 O ATOM 195 CB ASN A 13 -32.910 32.710 -1.093 1.00 0.16 C ATOM 196 CG ASN A 13 -34.294 32.797 -1.696 1.00 0.18 C ATOM 197 OD1 ASN A 13 -34.682 33.828 -2.212 1.00 0.24 O ATOM 198 ND2 ASN A 13 -34.989 31.697 -1.795 1.00 0.18 N ATOM 0 H ASN A 13 -30.996 34.926 -0.203 1.00 0.18 H new ATOM 0 HA ASN A 13 -33.182 34.723 -0.357 1.00 0.16 H new ATOM 0 HB2 ASN A 13 -32.157 32.839 -1.870 1.00 0.16 H new ATOM 0 HB3 ASN A 13 -32.755 31.722 -0.660 1.00 0.16 H new ATOM 0 HD21 ASN A 13 -35.869 31.695 -2.310 1.00 0.18 H new ATOM 0 HD22 ASN A 13 -34.652 30.840 -1.357 1.00 0.18 H new ATOM 205 N TYR A 14 -32.991 33.883 2.424 1.00 0.20 N ATOM 206 CA TYR A 14 -33.449 33.697 3.782 1.00 0.22 C ATOM 207 C TYR A 14 -34.755 34.366 3.981 1.00 0.21 C ATOM 208 O TYR A 14 -35.564 33.921 4.760 1.00 0.24 O ATOM 209 CB TYR A 14 -32.495 34.174 4.929 1.00 0.29 C ATOM 210 CG TYR A 14 -32.259 35.711 4.953 1.00 0.81 C ATOM 211 CD1 TYR A 14 -31.265 36.337 4.162 1.00 1.82 C ATOM 212 CD2 TYR A 14 -33.027 36.517 5.841 1.00 1.38 C ATOM 213 CE1 TYR A 14 -31.076 37.696 4.200 1.00 2.29 C ATOM 214 CE2 TYR A 14 -32.842 37.923 5.805 1.00 1.79 C ATOM 215 CZ TYR A 14 -31.871 38.492 4.947 1.00 1.96 C ATOM 216 OH TYR A 14 -31.724 39.857 4.935 1.00 2.54 O ATOM 0 H TYR A 14 -32.104 34.387 2.411 1.00 0.20 H new ATOM 0 HA TYR A 14 -33.503 32.612 3.871 1.00 0.22 H new ATOM 0 HB2 TYR A 14 -32.912 33.865 5.887 1.00 0.29 H new ATOM 0 HB3 TYR A 14 -31.534 33.670 4.822 1.00 0.29 H new ATOM 0 HD1 TYR A 14 -30.644 35.734 3.517 1.00 1.82 H new ATOM 0 HD2 TYR A 14 -33.733 36.069 6.525 1.00 1.38 H new ATOM 0 HE1 TYR A 14 -30.277 38.137 3.622 1.00 2.29 H new ATOM 0 HE2 TYR A 14 -33.444 38.561 6.434 1.00 1.79 H new ATOM 0 HH TYR A 14 -32.385 40.263 5.534 1.00 2.54 H new ATOM 226 N ASP A 15 -35.009 35.549 3.401 1.00 0.21 N ATOM 227 CA ASP A 15 -36.153 36.396 3.825 1.00 0.25 C ATOM 228 C ASP A 15 -37.513 35.827 3.331 1.00 0.22 C ATOM 229 O ASP A 15 -38.393 35.585 4.156 1.00 0.29 O ATOM 230 CB ASP A 15 -35.913 37.851 3.348 1.00 0.32 C ATOM 231 CG ASP A 15 -36.014 38.898 4.471 1.00 0.88 C ATOM 232 OD1 ASP A 15 -37.097 38.997 5.085 1.00 1.67 O ATOM 233 OD2 ASP A 15 -35.054 39.699 4.635 1.00 0.74 O ATOM 0 H ASP A 15 -34.450 35.944 2.645 1.00 0.21 H new ATOM 0 HA ASP A 15 -36.213 36.393 4.913 1.00 0.25 H new ATOM 0 HB2 ASP A 15 -34.925 37.915 2.892 1.00 0.32 H new ATOM 0 HB3 ASP A 15 -36.639 38.093 2.572 1.00 0.32 H new ATOM 238 N GLU A 16 -37.605 35.379 2.067 1.00 0.18 N ATOM 239 CA GLU A 16 -38.745 34.667 1.521 1.00 0.21 C ATOM 240 C GLU A 16 -38.844 33.208 2.069 1.00 0.20 C ATOM 241 O GLU A 16 -39.966 32.857 2.464 1.00 0.25 O ATOM 242 CB GLU A 16 -38.785 34.669 -0.006 1.00 0.26 C ATOM 243 CG GLU A 16 -38.849 36.148 -0.545 1.00 0.30 C ATOM 244 CD GLU A 16 -40.181 36.834 -0.296 1.00 0.64 C ATOM 245 OE1 GLU A 16 -41.237 36.300 -0.744 1.00 0.77 O ATOM 246 OE2 GLU A 16 -40.109 38.047 0.029 1.00 1.00 O ATOM 0 H GLU A 16 -36.858 35.513 1.386 1.00 0.18 H new ATOM 0 HA GLU A 16 -39.619 35.222 1.863 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -37.901 34.168 -0.401 1.00 0.26 H new ATOM 0 HB3 GLU A 16 -39.652 34.109 -0.355 1.00 0.26 H new ATOM 0 HG2 GLU A 16 -38.057 36.731 -0.074 1.00 0.30 H new ATOM 0 HG3 GLU A 16 -38.648 36.143 -1.616 1.00 0.30 H new ATOM 253 N PHE A 17 -37.719 32.541 2.215 1.00 0.16 N ATOM 254 CA PHE A 17 -37.712 31.263 2.845 1.00 0.15 C ATOM 255 C PHE A 17 -38.245 31.258 4.281 1.00 0.16 C ATOM 256 O PHE A 17 -39.270 30.641 4.549 1.00 0.17 O ATOM 257 CB PHE A 17 -36.328 30.689 2.670 1.00 0.16 C ATOM 258 CG PHE A 17 -36.149 29.453 3.474 1.00 0.16 C ATOM 259 CD1 PHE A 17 -36.564 28.236 2.926 1.00 0.16 C ATOM 260 CD2 PHE A 17 -35.575 29.526 4.750 1.00 0.20 C ATOM 261 CE1 PHE A 17 -36.297 27.062 3.624 1.00 0.19 C ATOM 262 CE2 PHE A 17 -35.322 28.345 5.451 1.00 0.22 C ATOM 263 CZ PHE A 17 -35.626 27.114 4.861 1.00 0.18 C ATOM 0 H PHE A 17 -36.806 32.872 1.903 1.00 0.16 H new ATOM 0 HA PHE A 17 -38.434 30.607 2.360 1.00 0.15 H new ATOM 0 HB2 PHE A 17 -36.154 30.468 1.617 1.00 0.16 H new ATOM 0 HB3 PHE A 17 -35.585 31.429 2.967 1.00 0.16 H new ATOM 0 HD1 PHE A 17 -37.082 28.207 1.979 1.00 0.16 H new ATOM 0 HD2 PHE A 17 -35.331 30.484 5.186 1.00 0.20 H new ATOM 0 HE1 PHE A 17 -36.605 26.110 3.217 1.00 0.19 H new ATOM 0 HE2 PHE A 17 -34.894 28.382 6.442 1.00 0.22 H new ATOM 0 HZ PHE A 17 -35.344 26.197 5.357 1.00 0.18 H new ATOM 273 N MET A 18 -37.696 32.121 5.144 1.00 0.18 N ATOM 274 CA MET A 18 -38.102 32.183 6.557 1.00 0.19 C ATOM 275 C MET A 18 -39.529 32.697 6.775 1.00 0.20 C ATOM 276 O MET A 18 -40.250 32.151 7.614 1.00 0.22 O ATOM 277 CB MET A 18 -37.133 33.042 7.371 1.00 0.20 C ATOM 278 CG MET A 18 -35.740 32.431 7.496 1.00 0.39 C ATOM 279 SD MET A 18 -35.728 30.905 8.457 1.00 1.06 S ATOM 280 CE MET A 18 -34.078 30.351 8.009 1.00 0.36 C ATOM 0 H MET A 18 -36.968 32.788 4.890 1.00 0.18 H new ATOM 0 HA MET A 18 -38.076 31.150 6.902 1.00 0.19 H new ATOM 0 HB2 MET A 18 -37.050 34.024 6.905 1.00 0.20 H new ATOM 0 HB3 MET A 18 -37.545 33.196 8.368 1.00 0.20 H new ATOM 0 HG2 MET A 18 -35.346 32.230 6.500 1.00 0.39 H new ATOM 0 HG3 MET A 18 -35.072 33.154 7.963 1.00 0.39 H new ATOM 0 HE1 MET A 18 -33.985 29.284 8.212 1.00 0.36 H new ATOM 0 HE2 MET A 18 -33.908 30.535 6.948 1.00 0.36 H new ATOM 0 HE3 MET A 18 -33.339 30.898 8.595 1.00 0.36 H new ATOM 290 N LYS A 19 -39.990 33.667 5.980 1.00 0.20 N ATOM 291 CA LYS A 19 -41.358 34.084 5.919 1.00 0.23 C ATOM 292 C LYS A 19 -42.335 32.976 5.548 1.00 0.23 C ATOM 293 O LYS A 19 -43.334 32.699 6.196 1.00 0.29 O ATOM 294 CB LYS A 19 -41.544 35.149 4.765 1.00 0.25 C ATOM 295 CG LYS A 19 -41.231 36.591 5.161 1.00 0.32 C ATOM 296 CD LYS A 19 -42.365 37.334 5.945 1.00 0.87 C ATOM 297 CE LYS A 19 -42.868 38.530 5.188 1.00 1.40 C ATOM 298 NZ LYS A 19 -41.695 39.472 4.962 1.00 1.82 N ATOM 0 H LYS A 19 -39.385 34.190 5.347 1.00 0.20 H new ATOM 0 HA LYS A 19 -41.570 34.456 6.921 1.00 0.23 H new ATOM 0 HB2 LYS A 19 -40.904 34.871 3.928 1.00 0.25 H new ATOM 0 HB3 LYS A 19 -42.573 35.101 4.409 1.00 0.25 H new ATOM 0 HG2 LYS A 19 -40.328 36.594 5.772 1.00 0.32 H new ATOM 0 HG3 LYS A 19 -41.006 37.157 4.257 1.00 0.32 H new ATOM 0 HD2 LYS A 19 -43.190 36.647 6.131 1.00 0.87 H new ATOM 0 HD3 LYS A 19 -41.989 37.650 6.918 1.00 0.87 H new ATOM 0 HE2 LYS A 19 -43.300 38.224 4.235 1.00 1.40 H new ATOM 0 HE3 LYS A 19 -43.657 39.032 5.749 1.00 1.40 H new ATOM 0 HZ1 LYS A 19 -42.029 40.456 4.993 1.00 1.82 H new ATOM 0 HZ2 LYS A 19 -40.983 39.325 5.706 1.00 1.82 H new ATOM 0 HZ3 LYS A 19 -41.269 39.280 4.033 1.00 1.82 H new ATOM 312 N LEU A 20 -42.086 32.318 4.393 1.00 0.20 N ATOM 313 CA LEU A 20 -42.864 31.177 3.993 1.00 0.20 C ATOM 314 C LEU A 20 -42.840 29.984 4.996 1.00 0.21 C ATOM 315 O LEU A 20 -43.825 29.255 5.108 1.00 0.25 O ATOM 316 CB LEU A 20 -42.393 30.792 2.561 1.00 0.19 C ATOM 317 CG LEU A 20 -42.751 31.798 1.466 1.00 0.22 C ATOM 318 CD1 LEU A 20 -41.996 31.498 0.119 1.00 0.21 C ATOM 319 CD2 LEU A 20 -44.250 31.827 1.072 1.00 0.27 C ATOM 0 H LEU A 20 -41.348 32.576 3.738 1.00 0.20 H new ATOM 0 HA LEU A 20 -43.920 31.446 3.991 1.00 0.20 H new ATOM 0 HB2 LEU A 20 -41.311 30.663 2.574 1.00 0.19 H new ATOM 0 HB3 LEU A 20 -42.826 29.826 2.301 1.00 0.19 H new ATOM 0 HG LEU A 20 -42.462 32.747 1.917 1.00 0.22 H new ATOM 0 HD11 LEU A 20 -42.281 32.237 -0.630 1.00 0.21 H new ATOM 0 HD12 LEU A 20 -40.920 31.547 0.286 1.00 0.21 H new ATOM 0 HD13 LEU A 20 -42.264 30.502 -0.234 1.00 0.21 H new ATOM 0 HD21 LEU A 20 -44.406 32.570 0.290 1.00 0.27 H new ATOM 0 HD22 LEU A 20 -44.549 30.845 0.705 1.00 0.27 H new ATOM 0 HD23 LEU A 20 -44.850 32.086 1.944 1.00 0.27 H new ATOM 331 N LEU A 21 -41.769 29.856 5.781 1.00 0.19 N ATOM 332 CA LEU A 21 -41.730 28.954 6.929 1.00 0.20 C ATOM 333 C LEU A 21 -42.760 29.343 8.006 1.00 0.23 C ATOM 334 O LEU A 21 -43.354 28.437 8.597 1.00 0.25 O ATOM 335 CB LEU A 21 -40.300 28.914 7.505 1.00 0.22 C ATOM 336 CG LEU A 21 -39.448 27.686 7.175 1.00 0.40 C ATOM 337 CD1 LEU A 21 -40.151 26.355 7.436 1.00 1.20 C ATOM 338 CD2 LEU A 21 -38.933 27.819 5.764 1.00 0.80 C ATOM 0 H LEU A 21 -40.904 30.377 5.637 1.00 0.19 H new ATOM 0 HA LEU A 21 -42.004 27.955 6.590 1.00 0.20 H new ATOM 0 HB2 LEU A 21 -39.769 29.798 7.153 1.00 0.22 H new ATOM 0 HB3 LEU A 21 -40.370 28.995 8.590 1.00 0.22 H new ATOM 0 HG LEU A 21 -38.603 27.662 7.863 1.00 0.40 H new ATOM 0 HD11 LEU A 21 -39.483 25.534 7.178 1.00 1.20 H new ATOM 0 HD12 LEU A 21 -40.420 26.286 8.490 1.00 1.20 H new ATOM 0 HD13 LEU A 21 -41.053 26.294 6.827 1.00 1.20 H new ATOM 0 HD21 LEU A 21 -38.324 26.950 5.516 1.00 0.80 H new ATOM 0 HD22 LEU A 21 -39.774 27.882 5.074 1.00 0.80 H new ATOM 0 HD23 LEU A 21 -38.328 28.722 5.681 1.00 0.80 H new ATOM 350 N GLY A 22 -43.064 30.636 8.214 1.00 0.30 N ATOM 351 CA GLY A 22 -44.148 31.057 9.035 1.00 0.36 C ATOM 352 C GLY A 22 -43.764 32.097 9.980 1.00 0.36 C ATOM 353 O GLY A 22 -44.521 32.630 10.790 1.00 0.40 O ATOM 0 H GLY A 22 -42.540 31.407 7.799 1.00 0.30 H new ATOM 0 HA2 GLY A 22 -44.956 31.426 8.403 1.00 0.36 H new ATOM 0 HA3 GLY A 22 -44.538 30.199 9.583 1.00 0.36 H new ATOM 357 N ILE A 23 -42.452 32.416 10.050 1.00 0.34 N ATOM 358 CA ILE A 23 -41.883 33.513 10.860 1.00 0.34 C ATOM 359 C ILE A 23 -42.349 34.829 10.250 1.00 0.33 C ATOM 360 O ILE A 23 -42.266 34.982 9.032 1.00 0.31 O ATOM 361 CB ILE A 23 -40.332 33.517 10.883 1.00 0.30 C ATOM 362 CG1 ILE A 23 -39.703 32.165 11.258 1.00 0.30 C ATOM 363 CG2 ILE A 23 -39.801 34.604 11.844 1.00 0.35 C ATOM 364 CD1 ILE A 23 -38.248 32.019 10.811 1.00 0.38 C ATOM 0 H ILE A 23 -41.741 31.902 9.529 1.00 0.34 H new ATOM 0 HA ILE A 23 -42.223 33.377 11.887 1.00 0.34 H new ATOM 0 HB ILE A 23 -40.034 33.732 9.857 1.00 0.30 H new ATOM 0 HG12 ILE A 23 -39.756 32.037 12.339 1.00 0.30 H new ATOM 0 HG13 ILE A 23 -40.293 31.364 10.813 1.00 0.30 H new ATOM 0 HG21 ILE A 23 -38.711 34.589 11.844 1.00 0.35 H new ATOM 0 HG22 ILE A 23 -40.150 35.583 11.515 1.00 0.35 H new ATOM 0 HG23 ILE A 23 -40.167 34.409 12.852 1.00 0.35 H new ATOM 0 HD11 ILE A 23 -37.872 31.041 11.110 1.00 0.38 H new ATOM 0 HD12 ILE A 23 -38.189 32.114 9.727 1.00 0.38 H new ATOM 0 HD13 ILE A 23 -37.644 32.798 11.277 1.00 0.38 H new ATOM 376 N SER A 24 -42.637 35.871 11.037 1.00 0.36 N ATOM 377 CA SER A 24 -43.049 37.142 10.371 1.00 0.37 C ATOM 378 C SER A 24 -41.833 38.108 10.243 1.00 0.35 C ATOM 379 O SER A 24 -41.307 38.409 9.150 1.00 0.33 O ATOM 380 CB SER A 24 -44.110 37.876 11.244 1.00 0.43 C ATOM 381 OG SER A 24 -45.282 37.054 11.209 1.00 0.71 O ATOM 0 H SER A 24 -42.603 35.883 12.056 1.00 0.36 H new ATOM 0 HA SER A 24 -43.448 36.887 9.389 1.00 0.37 H new ATOM 0 HB2 SER A 24 -43.754 38.005 12.266 1.00 0.43 H new ATOM 0 HB3 SER A 24 -44.319 38.871 10.851 1.00 0.43 H new ATOM 0 HG SER A 24 -45.988 37.469 11.747 1.00 0.71 H new ATOM 387 N SER A 25 -41.171 38.365 11.371 1.00 0.37 N ATOM 388 CA SER A 25 -39.860 39.029 11.382 1.00 0.37 C ATOM 389 C SER A 25 -38.948 38.559 12.501 1.00 0.36 C ATOM 390 O SER A 25 -37.766 38.399 12.226 1.00 0.37 O ATOM 391 CB SER A 25 -40.010 40.550 11.424 1.00 0.42 C ATOM 392 OG SER A 25 -40.697 40.957 10.254 1.00 1.04 O ATOM 0 H SER A 25 -41.522 38.123 12.298 1.00 0.37 H new ATOM 0 HA SER A 25 -39.379 38.741 10.447 1.00 0.37 H new ATOM 0 HB2 SER A 25 -40.561 40.854 12.314 1.00 0.42 H new ATOM 0 HB3 SER A 25 -39.032 41.028 11.476 1.00 0.42 H new ATOM 0 HG SER A 25 -40.806 41.931 10.261 1.00 1.04 H new ATOM 398 N ASP A 26 -39.505 38.041 13.607 1.00 0.40 N ATOM 399 CA ASP A 26 -38.695 37.788 14.805 1.00 0.44 C ATOM 400 C ASP A 26 -37.425 36.955 14.577 1.00 0.40 C ATOM 401 O ASP A 26 -36.341 37.515 14.733 1.00 0.43 O ATOM 402 CB ASP A 26 -39.518 37.284 16.003 1.00 0.49 C ATOM 403 CG ASP A 26 -38.642 36.978 17.228 1.00 0.85 C ATOM 404 OD1 ASP A 26 -38.008 35.905 17.253 1.00 0.94 O ATOM 405 OD2 ASP A 26 -38.568 37.784 18.177 1.00 1.29 O ATOM 0 H ASP A 26 -40.491 37.794 13.695 1.00 0.40 H new ATOM 0 HA ASP A 26 -38.326 38.779 15.069 1.00 0.44 H new ATOM 0 HB2 ASP A 26 -40.262 38.034 16.270 1.00 0.49 H new ATOM 0 HB3 ASP A 26 -40.061 36.384 15.714 1.00 0.49 H new ATOM 410 N VAL A 27 -37.515 35.691 14.160 1.00 0.36 N ATOM 411 CA VAL A 27 -36.308 34.884 13.912 1.00 0.35 C ATOM 412 C VAL A 27 -35.542 35.359 12.667 1.00 0.31 C ATOM 413 O VAL A 27 -34.315 35.405 12.710 1.00 0.31 O ATOM 414 CB VAL A 27 -36.629 33.376 13.871 1.00 0.37 C ATOM 415 CG1 VAL A 27 -35.379 32.515 13.673 1.00 0.46 C ATOM 416 CG2 VAL A 27 -37.327 32.915 15.159 1.00 0.58 C ATOM 0 H VAL A 27 -38.395 35.205 13.987 1.00 0.36 H new ATOM 0 HA VAL A 27 -35.638 35.037 14.758 1.00 0.35 H new ATOM 0 HB VAL A 27 -37.292 33.242 13.016 1.00 0.37 H new ATOM 0 HG11 VAL A 27 -35.662 31.463 13.652 1.00 0.46 H new ATOM 0 HG12 VAL A 27 -34.899 32.781 12.731 1.00 0.46 H new ATOM 0 HG13 VAL A 27 -34.684 32.687 14.495 1.00 0.46 H new ATOM 0 HG21 VAL A 27 -37.539 31.848 15.096 1.00 0.58 H new ATOM 0 HG22 VAL A 27 -36.678 33.106 16.013 1.00 0.58 H new ATOM 0 HG23 VAL A 27 -38.261 33.463 15.283 1.00 0.58 H new ATOM 426 N ILE A 28 -36.222 35.953 11.670 1.00 0.28 N ATOM 427 CA ILE A 28 -35.541 36.503 10.470 1.00 0.26 C ATOM 428 C ILE A 28 -34.504 37.568 10.820 1.00 0.27 C ATOM 429 O ILE A 28 -33.403 37.614 10.333 1.00 0.27 O ATOM 430 CB ILE A 28 -36.507 37.020 9.416 1.00 0.25 C ATOM 431 CG1 ILE A 28 -37.751 36.157 9.226 1.00 0.26 C ATOM 432 CG2 ILE A 28 -35.808 37.424 8.137 1.00 0.24 C ATOM 433 CD1 ILE A 28 -38.542 36.643 7.978 1.00 0.26 C ATOM 0 H ILE A 28 -37.236 36.067 11.665 1.00 0.28 H new ATOM 0 HA ILE A 28 -35.014 35.655 10.033 1.00 0.26 H new ATOM 0 HB ILE A 28 -36.917 37.947 9.818 1.00 0.25 H new ATOM 0 HG12 ILE A 28 -37.465 35.112 9.103 1.00 0.26 H new ATOM 0 HG13 ILE A 28 -38.382 36.212 10.113 1.00 0.26 H new ATOM 0 HG21 ILE A 28 -36.544 37.786 7.419 1.00 0.24 H new ATOM 0 HG22 ILE A 28 -35.089 38.215 8.350 1.00 0.24 H new ATOM 0 HG23 ILE A 28 -35.286 36.563 7.720 1.00 0.24 H new ATOM 0 HD11 ILE A 28 -39.429 36.024 7.846 1.00 0.26 H new ATOM 0 HD12 ILE A 28 -38.842 37.682 8.119 1.00 0.26 H new ATOM 0 HD13 ILE A 28 -37.910 36.564 7.093 1.00 0.26 H new ATOM 445 N GLU A 29 -34.921 38.491 11.706 1.00 0.30 N ATOM 446 CA GLU A 29 -34.124 39.605 12.260 1.00 0.32 C ATOM 447 C GLU A 29 -32.867 39.175 12.975 1.00 0.32 C ATOM 448 O GLU A 29 -31.799 39.708 12.699 1.00 0.36 O ATOM 449 CB GLU A 29 -34.964 40.380 13.214 1.00 0.38 C ATOM 450 CG GLU A 29 -35.955 41.320 12.622 1.00 0.79 C ATOM 451 CD GLU A 29 -36.778 41.955 13.680 1.00 1.14 C ATOM 452 OE1 GLU A 29 -37.630 41.254 14.287 1.00 1.48 O ATOM 453 OE2 GLU A 29 -36.604 43.176 13.920 1.00 1.29 O ATOM 0 H GLU A 29 -35.872 38.481 12.075 1.00 0.30 H new ATOM 0 HA GLU A 29 -33.811 40.204 11.405 1.00 0.32 H new ATOM 0 HB2 GLU A 29 -35.501 39.673 13.846 1.00 0.38 H new ATOM 0 HB3 GLU A 29 -34.301 40.950 13.865 1.00 0.38 H new ATOM 0 HG2 GLU A 29 -35.436 42.088 12.049 1.00 0.79 H new ATOM 0 HG3 GLU A 29 -36.600 40.784 11.926 1.00 0.79 H new ATOM 460 N LYS A 30 -32.944 38.139 13.872 1.00 0.33 N ATOM 461 CA LYS A 30 -31.722 37.518 14.478 1.00 0.37 C ATOM 462 C LYS A 30 -30.768 37.026 13.343 1.00 0.33 C ATOM 463 O LYS A 30 -29.552 37.370 13.311 1.00 0.37 O ATOM 464 CB LYS A 30 -32.125 36.341 15.355 1.00 0.45 C ATOM 465 CG LYS A 30 -33.407 36.630 16.182 1.00 0.52 C ATOM 466 CD LYS A 30 -33.411 37.944 16.975 1.00 0.76 C ATOM 467 CE LYS A 30 -34.635 38.020 17.896 1.00 0.88 C ATOM 468 NZ LYS A 30 -35.752 38.593 17.157 1.00 1.19 N ATOM 0 H LYS A 30 -33.822 37.725 14.185 1.00 0.33 H new ATOM 0 HA LYS A 30 -31.206 38.259 15.088 1.00 0.37 H new ATOM 0 HB2 LYS A 30 -32.290 35.464 14.728 1.00 0.45 H new ATOM 0 HB3 LYS A 30 -31.306 36.099 16.032 1.00 0.45 H new ATOM 0 HG2 LYS A 30 -34.260 36.635 15.504 1.00 0.52 H new ATOM 0 HG3 LYS A 30 -33.559 35.807 16.880 1.00 0.52 H new ATOM 0 HD2 LYS A 30 -32.499 38.019 17.567 1.00 0.76 H new ATOM 0 HD3 LYS A 30 -33.415 38.789 16.287 1.00 0.76 H new ATOM 0 HE2 LYS A 30 -34.895 37.026 18.259 1.00 0.88 H new ATOM 0 HE3 LYS A 30 -34.410 38.630 18.771 1.00 0.88 H new ATOM 0 HZ1 LYS A 30 -36.618 38.523 17.728 1.00 1.19 H new ATOM 0 HZ2 LYS A 30 -35.554 39.592 16.948 1.00 1.19 H new ATOM 0 HZ3 LYS A 30 -35.882 38.073 16.266 1.00 1.19 H new ATOM 482 N ALA A 31 -31.313 36.347 12.331 1.00 0.30 N ATOM 483 CA ALA A 31 -30.521 35.764 11.245 1.00 0.31 C ATOM 484 C ALA A 31 -29.743 36.827 10.452 1.00 0.32 C ATOM 485 O ALA A 31 -28.515 36.792 10.360 1.00 0.40 O ATOM 486 CB ALA A 31 -31.447 34.969 10.311 1.00 0.34 C ATOM 0 H ALA A 31 -32.316 36.186 12.241 1.00 0.30 H new ATOM 0 HA ALA A 31 -29.780 35.099 11.689 1.00 0.31 H new ATOM 0 HB1 ALA A 31 -30.861 34.534 9.502 1.00 0.34 H new ATOM 0 HB2 ALA A 31 -31.935 34.173 10.874 1.00 0.34 H new ATOM 0 HB3 ALA A 31 -32.202 35.635 9.894 1.00 0.34 H new ATOM 492 N ARG A 32 -30.425 37.888 9.998 1.00 0.28 N ATOM 493 CA ARG A 32 -29.793 38.819 9.098 1.00 0.31 C ATOM 494 C ARG A 32 -28.792 39.824 9.720 1.00 0.35 C ATOM 495 O ARG A 32 -28.070 40.540 8.983 1.00 0.43 O ATOM 496 CB ARG A 32 -30.893 39.602 8.365 1.00 0.35 C ATOM 497 CG ARG A 32 -31.770 40.517 9.272 1.00 0.34 C ATOM 498 CD ARG A 32 -32.915 41.159 8.463 1.00 0.45 C ATOM 499 NE ARG A 32 -32.277 42.223 7.625 1.00 1.13 N ATOM 500 CZ ARG A 32 -32.990 43.147 6.968 1.00 1.47 C ATOM 501 NH1 ARG A 32 -34.331 43.209 7.111 1.00 1.06 N ATOM 502 NH2 ARG A 32 -32.410 43.933 6.101 1.00 2.40 N ATOM 0 H ARG A 32 -31.391 38.107 10.241 1.00 0.28 H new ATOM 0 HA ARG A 32 -29.182 38.203 8.438 1.00 0.31 H new ATOM 0 HB2 ARG A 32 -30.428 40.218 7.596 1.00 0.35 H new ATOM 0 HB3 ARG A 32 -31.544 38.892 7.854 1.00 0.35 H new ATOM 0 HG2 ARG A 32 -32.183 39.932 10.094 1.00 0.34 H new ATOM 0 HG3 ARG A 32 -31.151 41.297 9.715 1.00 0.34 H new ATOM 0 HD2 ARG A 32 -33.416 40.418 7.840 1.00 0.45 H new ATOM 0 HD3 ARG A 32 -33.671 41.583 9.124 1.00 0.45 H new ATOM 0 HE ARG A 32 -31.260 42.245 7.552 1.00 1.13 H new ATOM 0 HH11 ARG A 32 -34.810 42.549 7.724 1.00 1.06 H new ATOM 0 HH12 ARG A 32 -34.866 43.916 6.607 1.00 1.06 H new ATOM 0 HH21 ARG A 32 -31.410 43.845 5.922 1.00 2.40 H new ATOM 0 HH22 ARG A 32 -32.957 44.635 5.603 1.00 2.40 H new ATOM 516 N ASN A 33 -28.740 39.834 11.089 1.00 0.35 N ATOM 517 CA ASN A 33 -27.796 40.564 11.869 1.00 0.42 C ATOM 518 C ASN A 33 -26.713 39.607 12.467 1.00 0.38 C ATOM 519 O ASN A 33 -25.637 39.513 11.879 1.00 0.47 O ATOM 520 CB ASN A 33 -28.371 41.498 12.928 1.00 0.53 C ATOM 521 CG ASN A 33 -29.166 42.568 12.251 1.00 0.68 C ATOM 522 OD1 ASN A 33 -28.640 43.284 11.409 1.00 1.09 O ATOM 523 ND2 ASN A 33 -30.448 42.825 12.624 1.00 0.61 N ATOM 0 H ASN A 33 -29.396 39.302 11.661 1.00 0.35 H new ATOM 0 HA ASN A 33 -27.331 41.249 11.159 1.00 0.42 H new ATOM 0 HB2 ASN A 33 -29.002 40.940 13.620 1.00 0.53 H new ATOM 0 HB3 ASN A 33 -27.567 41.941 13.516 1.00 0.53 H new ATOM 0 HD21 ASN A 33 -30.955 43.604 12.204 1.00 0.61 H new ATOM 0 HD22 ASN A 33 -30.903 42.239 13.324 1.00 0.61 H new ATOM 530 N PHE A 34 -27.024 39.003 13.611 1.00 0.35 N ATOM 531 CA PHE A 34 -26.054 38.329 14.457 1.00 0.42 C ATOM 532 C PHE A 34 -25.888 36.820 14.323 1.00 0.46 C ATOM 533 O PHE A 34 -24.802 36.359 14.659 1.00 0.78 O ATOM 534 CB PHE A 34 -26.133 38.889 15.880 1.00 0.52 C ATOM 535 CG PHE A 34 -27.537 39.090 16.416 1.00 0.94 C ATOM 536 CD1 PHE A 34 -28.276 37.988 16.880 1.00 0.75 C ATOM 537 CD2 PHE A 34 -28.091 40.384 16.480 1.00 1.98 C ATOM 538 CE1 PHE A 34 -29.547 38.182 17.449 1.00 1.54 C ATOM 539 CE2 PHE A 34 -29.371 40.575 17.031 1.00 2.84 C ATOM 540 CZ PHE A 34 -30.093 39.477 17.526 1.00 2.62 C ATOM 0 H PHE A 34 -27.975 38.970 13.979 1.00 0.35 H new ATOM 0 HA PHE A 34 -25.079 38.586 14.043 1.00 0.42 H new ATOM 0 HB2 PHE A 34 -25.599 38.215 16.549 1.00 0.52 H new ATOM 0 HB3 PHE A 34 -25.610 39.845 15.907 1.00 0.52 H new ATOM 0 HD1 PHE A 34 -27.867 36.992 16.799 1.00 0.75 H new ATOM 0 HD2 PHE A 34 -27.533 41.229 16.106 1.00 1.98 H new ATOM 0 HE1 PHE A 34 -30.104 37.338 17.827 1.00 1.54 H new ATOM 0 HE2 PHE A 34 -29.798 41.566 17.073 1.00 2.84 H new ATOM 0 HZ PHE A 34 -31.068 39.626 17.966 1.00 2.62 H new ATOM 550 N LYS A 35 -26.833 36.156 13.627 1.00 0.33 N ATOM 551 CA LYS A 35 -26.752 34.779 13.128 1.00 0.36 C ATOM 552 C LYS A 35 -26.675 33.832 14.326 1.00 0.37 C ATOM 553 O LYS A 35 -25.882 33.939 15.287 1.00 0.53 O ATOM 554 CB LYS A 35 -25.576 34.517 12.189 1.00 0.58 C ATOM 555 CG LYS A 35 -25.492 35.268 10.889 1.00 1.15 C ATOM 556 CD LYS A 35 -24.558 36.490 10.956 1.00 1.36 C ATOM 557 CE LYS A 35 -24.460 37.337 9.641 1.00 1.90 C ATOM 558 NZ LYS A 35 -25.787 37.897 9.247 1.00 2.56 N ATOM 0 H LYS A 35 -27.721 36.596 13.387 1.00 0.33 H new ATOM 0 HA LYS A 35 -27.648 34.606 12.532 1.00 0.36 H new ATOM 0 HB2 LYS A 35 -24.661 34.721 12.745 1.00 0.58 H new ATOM 0 HB3 LYS A 35 -25.575 33.453 11.953 1.00 0.58 H new ATOM 0 HG2 LYS A 35 -25.141 34.593 10.108 1.00 1.15 H new ATOM 0 HG3 LYS A 35 -26.491 35.597 10.601 1.00 1.15 H new ATOM 0 HD2 LYS A 35 -24.897 37.141 11.762 1.00 1.36 H new ATOM 0 HD3 LYS A 35 -23.558 36.147 11.222 1.00 1.36 H new ATOM 0 HE2 LYS A 35 -23.749 38.151 9.784 1.00 1.90 H new ATOM 0 HE3 LYS A 35 -24.073 36.714 8.834 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 -25.856 37.929 8.210 1.00 2.56 H new ATOM 0 HZ2 LYS A 35 -26.545 37.294 9.626 1.00 2.56 H new ATOM 0 HZ3 LYS A 35 -25.886 38.859 9.631 1.00 2.56 H new ATOM 572 N ILE A 36 -27.610 32.853 14.278 1.00 0.35 N ATOM 573 CA ILE A 36 -27.522 31.661 15.189 1.00 0.35 C ATOM 574 C ILE A 36 -26.192 30.874 15.291 1.00 0.34 C ATOM 575 O ILE A 36 -25.454 30.645 14.319 1.00 0.43 O ATOM 576 CB ILE A 36 -28.735 30.725 15.019 1.00 0.37 C ATOM 577 CG1 ILE A 36 -29.967 31.466 15.563 1.00 0.44 C ATOM 578 CG2 ILE A 36 -28.549 29.298 15.763 1.00 0.36 C ATOM 579 CD1 ILE A 36 -31.330 30.777 15.243 1.00 0.41 C ATOM 0 H ILE A 36 -28.411 32.851 13.646 1.00 0.35 H new ATOM 0 HA ILE A 36 -27.542 32.145 16.166 1.00 0.35 H new ATOM 0 HB ILE A 36 -28.850 30.486 13.962 1.00 0.37 H new ATOM 0 HG12 ILE A 36 -29.869 31.563 16.644 1.00 0.44 H new ATOM 0 HG13 ILE A 36 -29.979 32.475 15.152 1.00 0.44 H new ATOM 0 HG21 ILE A 36 -29.437 28.687 15.605 1.00 0.36 H new ATOM 0 HG22 ILE A 36 -27.678 28.785 15.354 1.00 0.36 H new ATOM 0 HG23 ILE A 36 -28.406 29.461 16.831 1.00 0.36 H new ATOM 0 HD11 ILE A 36 -32.144 31.367 15.664 1.00 0.41 H new ATOM 0 HD12 ILE A 36 -31.456 30.704 14.163 1.00 0.41 H new ATOM 0 HD13 ILE A 36 -31.344 29.778 15.678 1.00 0.41 H new ATOM 591 N VAL A 37 -25.860 30.459 16.522 1.00 0.30 N ATOM 592 CA VAL A 37 -24.825 29.455 16.825 1.00 0.27 C ATOM 593 C VAL A 37 -25.467 28.228 17.478 1.00 0.25 C ATOM 594 O VAL A 37 -26.330 28.380 18.354 1.00 0.31 O ATOM 595 CB VAL A 37 -23.658 30.048 17.642 1.00 0.30 C ATOM 596 CG1 VAL A 37 -23.094 31.317 16.987 1.00 0.83 C ATOM 597 CG2 VAL A 37 -24.016 30.396 19.095 1.00 0.85 C ATOM 0 H VAL A 37 -26.316 30.822 17.359 1.00 0.30 H new ATOM 0 HA VAL A 37 -24.370 29.126 15.891 1.00 0.27 H new ATOM 0 HB VAL A 37 -22.916 29.250 17.654 1.00 0.30 H new ATOM 0 HG11 VAL A 37 -22.274 31.705 17.592 1.00 0.83 H new ATOM 0 HG12 VAL A 37 -22.727 31.079 15.988 1.00 0.83 H new ATOM 0 HG13 VAL A 37 -23.879 32.069 16.915 1.00 0.83 H new ATOM 0 HG21 VAL A 37 -23.140 30.807 19.597 1.00 0.85 H new ATOM 0 HG22 VAL A 37 -24.819 31.133 19.105 1.00 0.85 H new ATOM 0 HG23 VAL A 37 -24.343 29.496 19.615 1.00 0.85 H new ATOM 607 N THR A 38 -25.167 27.014 17.001 1.00 0.25 N ATOM 608 CA THR A 38 -26.051 25.868 17.322 1.00 0.25 C ATOM 609 C THR A 38 -25.226 24.880 18.127 1.00 0.23 C ATOM 610 O THR A 38 -24.061 24.668 17.840 1.00 0.24 O ATOM 611 CB THR A 38 -26.568 25.263 16.014 1.00 0.29 C ATOM 612 OG1 THR A 38 -27.721 25.963 15.622 1.00 0.39 O ATOM 613 CG2 THR A 38 -26.953 23.798 16.136 1.00 0.28 C ATOM 0 H THR A 38 -24.360 26.796 16.417 1.00 0.25 H new ATOM 0 HA THR A 38 -26.921 26.164 17.908 1.00 0.25 H new ATOM 0 HB THR A 38 -25.756 25.341 15.291 1.00 0.29 H new ATOM 0 HG1 THR A 38 -27.971 25.698 14.712 1.00 0.39 H new ATOM 0 HG21 THR A 38 -27.310 23.434 15.173 1.00 0.28 H new ATOM 0 HG22 THR A 38 -26.083 23.218 16.443 1.00 0.28 H new ATOM 0 HG23 THR A 38 -27.742 23.690 16.880 1.00 0.28 H new ATOM 621 N GLU A 39 -25.857 24.169 19.051 1.00 0.22 N ATOM 622 CA GLU A 39 -25.379 22.904 19.679 1.00 0.20 C ATOM 623 C GLU A 39 -26.292 21.774 19.326 1.00 0.18 C ATOM 624 O GLU A 39 -27.512 21.895 19.130 1.00 0.20 O ATOM 625 CB GLU A 39 -25.384 23.051 21.202 1.00 0.24 C ATOM 626 CG GLU A 39 -24.305 23.959 21.850 1.00 0.56 C ATOM 627 CD GLU A 39 -24.427 23.847 23.351 1.00 0.99 C ATOM 628 OE1 GLU A 39 -25.233 24.664 23.948 1.00 1.41 O ATOM 629 OE2 GLU A 39 -23.712 22.973 23.992 1.00 1.41 O ATOM 0 H GLU A 39 -26.765 24.458 19.415 1.00 0.22 H new ATOM 0 HA GLU A 39 -24.372 22.701 19.315 1.00 0.20 H new ATOM 0 HB2 GLU A 39 -26.362 23.431 21.498 1.00 0.24 H new ATOM 0 HB3 GLU A 39 -25.286 22.055 21.634 1.00 0.24 H new ATOM 0 HG2 GLU A 39 -23.309 23.655 21.527 1.00 0.56 H new ATOM 0 HG3 GLU A 39 -24.441 24.994 21.535 1.00 0.56 H new ATOM 636 N VAL A 40 -25.742 20.588 19.119 1.00 0.17 N ATOM 637 CA VAL A 40 -26.501 19.402 18.691 1.00 0.18 C ATOM 638 C VAL A 40 -26.134 18.260 19.601 1.00 0.19 C ATOM 639 O VAL A 40 -24.954 18.096 19.902 1.00 0.20 O ATOM 640 CB VAL A 40 -26.218 19.031 17.226 1.00 0.17 C ATOM 641 CG1 VAL A 40 -26.993 17.809 16.716 1.00 0.19 C ATOM 642 CG2 VAL A 40 -26.518 20.183 16.269 1.00 0.19 C ATOM 0 H VAL A 40 -24.745 20.410 19.242 1.00 0.17 H new ATOM 0 HA VAL A 40 -27.567 19.621 18.756 1.00 0.18 H new ATOM 0 HB VAL A 40 -25.155 18.792 17.233 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -26.731 17.621 15.675 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -26.735 16.938 17.318 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -28.064 17.999 16.793 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -26.302 19.872 15.247 1.00 0.19 H new ATOM 0 HG22 VAL A 40 -27.569 20.459 16.350 1.00 0.19 H new ATOM 0 HG23 VAL A 40 -25.897 21.041 16.526 1.00 0.19 H new ATOM 652 N GLN A 41 -27.057 17.332 19.837 1.00 0.22 N ATOM 653 CA GLN A 41 -26.759 16.039 20.466 1.00 0.27 C ATOM 654 C GLN A 41 -27.631 14.959 19.806 1.00 0.27 C ATOM 655 O GLN A 41 -28.853 15.110 19.830 1.00 0.31 O ATOM 656 CB GLN A 41 -27.021 16.164 21.984 1.00 0.41 C ATOM 657 CG GLN A 41 -26.054 15.340 22.850 1.00 0.37 C ATOM 658 CD GLN A 41 -26.002 13.867 22.490 1.00 1.30 C ATOM 659 OE1 GLN A 41 -25.079 13.206 22.027 1.00 2.15 O ATOM 660 NE2 GLN A 41 -27.097 13.175 22.696 1.00 2.00 N ATOM 0 H GLN A 41 -28.041 17.452 19.597 1.00 0.22 H new ATOM 0 HA GLN A 41 -25.717 15.752 20.328 1.00 0.27 H new ATOM 0 HB2 GLN A 41 -26.947 17.213 22.271 1.00 0.41 H new ATOM 0 HB3 GLN A 41 -28.042 15.847 22.194 1.00 0.41 H new ATOM 0 HG2 GLN A 41 -25.053 15.761 22.759 1.00 0.37 H new ATOM 0 HG3 GLN A 41 -26.347 15.437 23.895 1.00 0.37 H new ATOM 0 HE21 GLN A 41 -27.924 13.632 23.080 1.00 2.00 H new ATOM 0 HE22 GLN A 41 -27.121 12.180 22.473 1.00 2.00 H new ATOM 669 N GLN A 42 -27.059 14.039 19.019 1.00 0.27 N ATOM 670 CA GLN A 42 -27.800 13.074 18.337 1.00 0.30 C ATOM 671 C GLN A 42 -27.311 11.705 18.769 1.00 0.33 C ATOM 672 O GLN A 42 -26.154 11.416 18.686 1.00 0.42 O ATOM 673 CB GLN A 42 -27.617 13.293 16.843 1.00 0.43 C ATOM 674 CG GLN A 42 -28.325 12.201 16.024 1.00 0.51 C ATOM 675 CD GLN A 42 -28.034 12.233 14.505 1.00 0.77 C ATOM 676 OE1 GLN A 42 -26.837 12.434 14.219 1.00 1.16 O ATOM 677 NE2 GLN A 42 -29.021 12.031 13.579 1.00 0.73 N ATOM 0 H GLN A 42 -26.053 13.978 18.863 1.00 0.27 H new ATOM 0 HA GLN A 42 -28.863 13.147 18.565 1.00 0.30 H new ATOM 0 HB2 GLN A 42 -28.012 14.271 16.566 1.00 0.43 H new ATOM 0 HB3 GLN A 42 -26.554 13.299 16.602 1.00 0.43 H new ATOM 0 HG2 GLN A 42 -28.031 11.227 16.415 1.00 0.51 H new ATOM 0 HG3 GLN A 42 -29.400 12.294 16.175 1.00 0.51 H new ATOM 0 HE21 GLN A 42 -29.981 11.872 13.884 1.00 0.73 H new ATOM 0 HE22 GLN A 42 -28.796 12.039 12.584 1.00 0.73 H new ATOM 686 N ASP A 43 -28.226 10.773 19.044 1.00 0.31 N ATOM 687 CA ASP A 43 -27.965 9.396 19.503 1.00 0.36 C ATOM 688 C ASP A 43 -28.643 8.302 18.668 1.00 0.37 C ATOM 689 O ASP A 43 -29.816 7.997 18.896 1.00 0.38 O ATOM 690 CB ASP A 43 -28.305 9.246 20.998 1.00 0.43 C ATOM 691 CG ASP A 43 -27.222 9.805 21.913 1.00 0.97 C ATOM 692 OD1 ASP A 43 -26.064 9.357 21.744 1.00 1.01 O ATOM 693 OD2 ASP A 43 -27.604 10.484 22.889 1.00 1.68 O ATOM 0 H ASP A 43 -29.224 10.963 18.949 1.00 0.31 H new ATOM 0 HA ASP A 43 -26.896 9.239 19.357 1.00 0.36 H new ATOM 0 HB2 ASP A 43 -29.246 9.756 21.204 1.00 0.43 H new ATOM 0 HB3 ASP A 43 -28.457 8.191 21.226 1.00 0.43 H new ATOM 698 N GLY A 44 -27.995 7.753 17.623 1.00 0.43 N ATOM 699 CA GLY A 44 -28.690 6.904 16.720 1.00 0.50 C ATOM 700 C GLY A 44 -29.897 7.517 16.030 1.00 0.60 C ATOM 701 O GLY A 44 -29.858 8.307 15.091 1.00 1.24 O ATOM 0 H GLY A 44 -27.008 7.897 17.410 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -27.990 6.568 15.955 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -29.017 6.018 17.264 1.00 0.50 H new ATOM 705 N GLN A 45 -31.073 6.942 16.430 1.00 0.34 N ATOM 706 CA GLN A 45 -32.390 7.395 16.075 1.00 0.30 C ATOM 707 C GLN A 45 -32.812 8.667 16.756 1.00 0.29 C ATOM 708 O GLN A 45 -33.487 9.547 16.212 1.00 0.32 O ATOM 709 CB GLN A 45 -33.340 6.268 16.292 1.00 0.31 C ATOM 710 CG GLN A 45 -33.218 5.090 15.328 1.00 0.32 C ATOM 711 CD GLN A 45 -34.332 4.071 15.406 1.00 0.76 C ATOM 712 OE1 GLN A 45 -35.323 4.435 16.054 1.00 1.37 O ATOM 713 NE2 GLN A 45 -34.232 2.856 14.804 1.00 1.02 N ATOM 0 H GLN A 45 -31.093 6.119 17.032 1.00 0.34 H new ATOM 0 HA GLN A 45 -32.387 7.676 15.022 1.00 0.30 H new ATOM 0 HB2 GLN A 45 -33.204 5.896 17.307 1.00 0.31 H new ATOM 0 HB3 GLN A 45 -34.356 6.659 16.229 1.00 0.31 H new ATOM 0 HG2 GLN A 45 -33.174 5.478 14.310 1.00 0.32 H new ATOM 0 HG3 GLN A 45 -32.271 4.584 15.517 1.00 0.32 H new ATOM 0 HE21 GLN A 45 -33.389 2.613 14.283 1.00 1.02 H new ATOM 0 HE22 GLN A 45 -35.000 2.188 14.873 1.00 1.02 H new ATOM 722 N ASP A 46 -32.388 8.871 18.010 1.00 0.30 N ATOM 723 CA ASP A 46 -32.691 10.072 18.817 1.00 0.34 C ATOM 724 C ASP A 46 -31.909 11.348 18.485 1.00 0.35 C ATOM 725 O ASP A 46 -30.772 11.299 18.013 1.00 0.49 O ATOM 726 CB ASP A 46 -32.730 9.779 20.332 1.00 0.40 C ATOM 727 CG ASP A 46 -34.045 9.163 20.810 1.00 1.10 C ATOM 728 OD1 ASP A 46 -35.004 9.157 20.008 1.00 1.18 O ATOM 729 OD2 ASP A 46 -34.188 9.010 22.038 1.00 1.85 O ATOM 0 H ASP A 46 -31.811 8.193 18.508 1.00 0.30 H new ATOM 0 HA ASP A 46 -33.702 10.321 18.496 1.00 0.34 H new ATOM 0 HB2 ASP A 46 -31.912 9.104 20.583 1.00 0.40 H new ATOM 0 HB3 ASP A 46 -32.556 10.707 20.876 1.00 0.40 H new ATOM 734 N PHE A 47 -32.530 12.511 18.704 1.00 0.26 N ATOM 735 CA PHE A 47 -31.989 13.772 18.220 1.00 0.26 C ATOM 736 C PHE A 47 -32.348 15.028 19.032 1.00 0.19 C ATOM 737 O PHE A 47 -33.497 15.226 19.427 1.00 0.21 O ATOM 738 CB PHE A 47 -32.290 13.866 16.717 1.00 0.31 C ATOM 739 CG PHE A 47 -31.918 15.166 16.062 1.00 1.56 C ATOM 740 CD1 PHE A 47 -32.719 16.306 16.242 1.00 2.65 C ATOM 741 CD2 PHE A 47 -30.772 15.220 15.251 1.00 1.72 C ATOM 742 CE1 PHE A 47 -32.384 17.497 15.591 1.00 3.87 C ATOM 743 CE2 PHE A 47 -30.439 16.412 14.598 1.00 2.93 C ATOM 744 CZ PHE A 47 -31.264 17.535 14.753 1.00 3.99 C ATOM 0 H PHE A 47 -33.409 12.599 19.215 1.00 0.26 H new ATOM 0 HA PHE A 47 -30.911 13.757 18.379 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -31.763 13.059 16.208 1.00 0.31 H new ATOM 0 HB3 PHE A 47 -33.356 13.696 16.567 1.00 0.31 H new ATOM 0 HD1 PHE A 47 -33.589 16.263 16.880 1.00 2.65 H new ATOM 0 HD2 PHE A 47 -30.150 14.345 15.132 1.00 1.72 H new ATOM 0 HE1 PHE A 47 -32.986 18.382 15.734 1.00 3.87 H new ATOM 0 HE2 PHE A 47 -29.555 16.466 13.980 1.00 2.93 H new ATOM 0 HZ PHE A 47 -31.031 18.443 14.217 1.00 3.99 H new ATOM 754 N THR A 48 -31.408 15.973 19.152 1.00 0.22 N ATOM 755 CA THR A 48 -31.527 17.279 19.733 1.00 0.23 C ATOM 756 C THR A 48 -30.843 18.309 18.803 1.00 0.21 C ATOM 757 O THR A 48 -29.667 18.266 18.647 1.00 0.21 O ATOM 758 CB THR A 48 -31.003 17.367 21.125 1.00 0.25 C ATOM 759 OG1 THR A 48 -31.709 16.507 22.023 1.00 0.27 O ATOM 760 CG2 THR A 48 -31.118 18.853 21.618 1.00 0.29 C ATOM 0 H THR A 48 -30.463 15.808 18.806 1.00 0.22 H new ATOM 0 HA THR A 48 -32.590 17.504 19.820 1.00 0.23 H new ATOM 0 HB THR A 48 -29.962 17.043 21.116 1.00 0.25 H new ATOM 0 HG1 THR A 48 -31.333 16.594 22.924 1.00 0.27 H new ATOM 0 HG21 THR A 48 -30.737 18.929 22.636 1.00 0.29 H new ATOM 0 HG22 THR A 48 -30.534 19.500 20.963 1.00 0.29 H new ATOM 0 HG23 THR A 48 -32.163 19.163 21.597 1.00 0.29 H new ATOM 768 N TRP A 49 -31.517 19.327 18.268 1.00 0.23 N ATOM 769 CA TRP A 49 -30.876 20.519 17.679 1.00 0.24 C ATOM 770 C TRP A 49 -31.282 21.749 18.467 1.00 0.25 C ATOM 771 O TRP A 49 -32.454 22.078 18.602 1.00 0.29 O ATOM 772 CB TRP A 49 -31.102 20.603 16.166 1.00 0.29 C ATOM 773 CG TRP A 49 -30.769 21.840 15.377 1.00 0.26 C ATOM 774 CD1 TRP A 49 -30.199 22.990 15.807 1.00 0.29 C ATOM 775 CD2 TRP A 49 -30.966 22.028 13.937 1.00 0.23 C ATOM 776 NE1 TRP A 49 -30.141 23.899 14.770 1.00 0.29 N ATOM 777 CE2 TRP A 49 -30.627 23.366 13.597 1.00 0.25 C ATOM 778 CE3 TRP A 49 -31.392 21.200 12.877 1.00 0.22 C ATOM 779 CZ2 TRP A 49 -30.785 23.874 12.300 1.00 0.24 C ATOM 780 CZ3 TRP A 49 -31.524 21.688 11.562 1.00 0.21 C ATOM 781 CH2 TRP A 49 -31.248 23.032 11.277 1.00 0.22 C ATOM 0 H TRP A 49 -32.536 19.354 18.227 1.00 0.23 H new ATOM 0 HA TRP A 49 -29.792 20.444 17.767 1.00 0.24 H new ATOM 0 HB2 TRP A 49 -30.539 19.784 15.718 1.00 0.29 H new ATOM 0 HB3 TRP A 49 -32.158 20.396 15.994 1.00 0.29 H new ATOM 0 HD1 TRP A 49 -29.843 23.169 16.811 1.00 0.29 H new ATOM 0 HE1 TRP A 49 -29.782 24.849 14.861 1.00 0.29 H new ATOM 0 HE3 TRP A 49 -31.623 20.165 13.079 1.00 0.22 H new ATOM 0 HZ2 TRP A 49 -30.552 24.907 12.089 1.00 0.24 H new ATOM 0 HZ3 TRP A 49 -31.839 21.024 10.771 1.00 0.21 H new ATOM 0 HH2 TRP A 49 -31.390 23.417 10.278 1.00 0.22 H new ATOM 792 N SER A 50 -30.337 22.266 19.230 1.00 0.23 N ATOM 793 CA SER A 50 -30.558 23.385 20.200 1.00 0.25 C ATOM 794 C SER A 50 -29.915 24.639 19.688 1.00 0.26 C ATOM 795 O SER A 50 -28.784 24.663 19.330 1.00 0.32 O ATOM 796 CB SER A 50 -29.951 23.021 21.590 1.00 0.26 C ATOM 797 OG SER A 50 -29.881 24.134 22.478 1.00 1.22 O ATOM 0 H SER A 50 -29.373 21.934 19.212 1.00 0.23 H new ATOM 0 HA SER A 50 -31.631 23.545 20.309 1.00 0.25 H new ATOM 0 HB2 SER A 50 -30.552 22.236 22.048 1.00 0.26 H new ATOM 0 HB3 SER A 50 -28.950 22.614 21.447 1.00 0.26 H new ATOM 0 HG SER A 50 -29.495 23.847 23.332 1.00 1.22 H new ATOM 803 N GLN A 51 -30.686 25.778 19.548 1.00 0.26 N ATOM 804 CA GLN A 51 -30.376 26.920 18.804 1.00 0.27 C ATOM 805 C GLN A 51 -30.231 28.028 19.817 1.00 0.28 C ATOM 806 O GLN A 51 -31.012 28.268 20.760 1.00 0.31 O ATOM 807 CB GLN A 51 -31.479 27.370 17.844 1.00 0.35 C ATOM 808 CG GLN A 51 -31.611 26.368 16.684 1.00 0.53 C ATOM 809 CD GLN A 51 -32.896 25.558 16.727 1.00 0.69 C ATOM 810 OE1 GLN A 51 -33.882 25.950 17.400 1.00 1.50 O ATOM 811 NE2 GLN A 51 -32.925 24.425 16.033 1.00 0.53 N ATOM 0 H GLN A 51 -31.591 25.862 20.011 1.00 0.26 H new ATOM 0 HA GLN A 51 -29.494 26.699 18.203 1.00 0.27 H new ATOM 0 HB2 GLN A 51 -32.426 27.448 18.377 1.00 0.35 H new ATOM 0 HB3 GLN A 51 -31.250 28.362 17.454 1.00 0.35 H new ATOM 0 HG2 GLN A 51 -31.563 26.910 15.739 1.00 0.53 H new ATOM 0 HG3 GLN A 51 -30.760 25.687 16.704 1.00 0.53 H new ATOM 0 HE21 GLN A 51 -32.108 24.134 15.497 1.00 0.53 H new ATOM 0 HE22 GLN A 51 -33.765 23.846 16.037 1.00 0.53 H new ATOM 820 N HIS A 52 -29.115 28.756 19.713 1.00 0.36 N ATOM 821 CA HIS A 52 -28.842 29.950 20.498 1.00 0.39 C ATOM 822 C HIS A 52 -28.545 31.164 19.629 1.00 0.41 C ATOM 823 O HIS A 52 -27.454 31.325 19.046 1.00 0.45 O ATOM 824 CB HIS A 52 -27.619 29.721 21.433 1.00 0.41 C ATOM 825 CG HIS A 52 -27.633 28.369 21.946 1.00 0.85 C ATOM 826 ND1 HIS A 52 -28.577 27.841 22.816 1.00 1.08 N ATOM 827 CD2 HIS A 52 -26.677 27.418 21.772 1.00 1.97 C ATOM 828 CE1 HIS A 52 -28.209 26.603 23.074 1.00 1.53 C ATOM 829 NE2 HIS A 52 -27.013 26.399 22.579 1.00 2.21 N ATOM 0 H HIS A 52 -28.364 28.521 19.065 1.00 0.36 H new ATOM 0 HA HIS A 52 -29.744 30.144 21.078 1.00 0.39 H new ATOM 0 HB2 HIS A 52 -26.694 29.901 20.885 1.00 0.41 H new ATOM 0 HB3 HIS A 52 -27.644 30.432 22.259 1.00 0.41 H new ATOM 0 HD2 HIS A 52 -25.820 27.472 21.117 1.00 1.97 H new ATOM 0 HE1 HIS A 52 -28.799 25.873 23.608 1.00 1.53 H new ATOM 0 HE2 HIS A 52 -26.426 25.589 22.777 1.00 2.21 H new ATOM 837 N TYR A 53 -29.488 32.104 19.455 1.00 0.42 N ATOM 838 CA TYR A 53 -29.196 33.348 18.700 1.00 0.45 C ATOM 839 C TYR A 53 -28.166 34.291 19.339 1.00 0.57 C ATOM 840 O TYR A 53 -28.452 34.791 20.418 1.00 0.67 O ATOM 841 CB TYR A 53 -30.455 34.013 18.123 1.00 0.52 C ATOM 842 CG TYR A 53 -31.726 33.987 18.947 1.00 0.55 C ATOM 843 CD1 TYR A 53 -32.644 32.937 18.757 1.00 0.53 C ATOM 844 CD2 TYR A 53 -32.063 35.072 19.781 1.00 0.67 C ATOM 845 CE1 TYR A 53 -33.895 32.969 19.397 1.00 0.62 C ATOM 846 CE2 TYR A 53 -33.324 35.114 20.410 1.00 0.75 C ATOM 847 CZ TYR A 53 -34.238 34.056 20.222 1.00 0.72 C ATOM 848 OH TYR A 53 -35.431 34.051 20.873 1.00 0.84 O ATOM 0 H TYR A 53 -30.440 32.037 19.815 1.00 0.42 H new ATOM 0 HA TYR A 53 -28.643 33.014 17.822 1.00 0.45 H new ATOM 0 HB2 TYR A 53 -30.215 35.056 17.917 1.00 0.52 H new ATOM 0 HB3 TYR A 53 -30.671 33.540 17.165 1.00 0.52 H new ATOM 0 HD1 TYR A 53 -32.387 32.105 18.118 1.00 0.53 H new ATOM 0 HD2 TYR A 53 -31.355 35.872 19.938 1.00 0.67 H new ATOM 0 HE1 TYR A 53 -34.594 32.158 19.255 1.00 0.62 H new ATOM 0 HE2 TYR A 53 -33.590 35.954 21.034 1.00 0.75 H new ATOM 0 HH TYR A 53 -35.284 33.862 21.823 1.00 0.84 H new ATOM 883 N HIS A 57 -30.410 33.856 23.601 1.00 0.94 N ATOM 884 CA HIS A 57 -31.540 33.052 24.076 1.00 0.81 C ATOM 885 C HIS A 57 -31.443 31.752 23.351 1.00 0.66 C ATOM 886 O HIS A 57 -30.654 31.671 22.435 1.00 0.63 O ATOM 887 CB HIS A 57 -32.830 33.787 23.574 1.00 0.85 C ATOM 888 CG HIS A 57 -34.042 33.121 24.029 1.00 0.92 C ATOM 889 ND1 HIS A 57 -35.086 32.768 23.248 1.00 0.89 N ATOM 890 CD2 HIS A 57 -34.401 32.872 25.271 1.00 1.08 C ATOM 891 CE1 HIS A 57 -36.054 32.312 23.975 1.00 1.05 C ATOM 892 NE2 HIS A 57 -35.680 32.372 25.269 1.00 1.17 N ATOM 0 HA HIS A 57 -31.552 32.912 25.157 1.00 0.81 H new ATOM 0 HB2 HIS A 57 -32.825 34.817 23.932 1.00 0.85 H new ATOM 0 HB3 HIS A 57 -32.825 33.828 22.485 1.00 0.85 H new ATOM 0 HD2 HIS A 57 -33.790 33.034 26.147 1.00 1.08 H new ATOM 0 HE1 HIS A 57 -37.001 31.945 23.608 1.00 1.05 H new ATOM 0 HE2 HIS A 57 -36.234 32.101 26.081 1.00 1.17 H new ATOM 900 N THR A 58 -32.257 30.787 23.873 1.00 0.61 N ATOM 901 CA THR A 58 -32.163 29.452 23.415 1.00 0.54 C ATOM 902 C THR A 58 -33.546 28.896 23.122 1.00 0.53 C ATOM 903 O THR A 58 -34.516 29.158 23.873 1.00 0.64 O ATOM 904 CB THR A 58 -31.417 28.562 24.445 1.00 0.61 C ATOM 905 OG1 THR A 58 -30.081 29.077 24.653 1.00 0.73 O ATOM 906 CG2 THR A 58 -31.355 27.126 23.974 1.00 0.60 C ATOM 0 H THR A 58 -32.958 30.948 24.596 1.00 0.61 H new ATOM 0 HA THR A 58 -31.586 29.447 22.491 1.00 0.54 H new ATOM 0 HB THR A 58 -31.965 28.585 25.387 1.00 0.61 H new ATOM 0 HG1 THR A 58 -29.526 28.873 23.871 1.00 0.73 H new ATOM 0 HG21 THR A 58 -30.827 26.523 24.713 1.00 0.60 H new ATOM 0 HG22 THR A 58 -32.367 26.741 23.847 1.00 0.60 H new ATOM 0 HG23 THR A 58 -30.826 27.078 23.022 1.00 0.60 H new ATOM 914 N MET A 59 -33.697 28.278 21.967 1.00 0.47 N ATOM 915 CA MET A 59 -34.800 27.364 21.697 1.00 0.53 C ATOM 916 C MET A 59 -34.192 26.053 21.223 1.00 0.45 C ATOM 917 O MET A 59 -32.974 25.883 21.173 1.00 0.52 O ATOM 918 CB MET A 59 -35.817 27.977 20.728 1.00 0.70 C ATOM 919 CG MET A 59 -35.228 28.322 19.362 1.00 0.68 C ATOM 920 SD MET A 59 -35.785 29.930 18.774 1.00 1.13 S ATOM 921 CE MET A 59 -34.747 30.073 17.299 1.00 0.46 C ATOM 0 H MET A 59 -33.056 28.394 21.182 1.00 0.47 H new ATOM 0 HA MET A 59 -35.384 27.168 22.596 1.00 0.53 H new ATOM 0 HB2 MET A 59 -36.643 27.279 20.592 1.00 0.70 H new ATOM 0 HB3 MET A 59 -36.233 28.881 21.174 1.00 0.70 H new ATOM 0 HG2 MET A 59 -34.140 28.316 19.424 1.00 0.68 H new ATOM 0 HG3 MET A 59 -35.510 27.555 18.641 1.00 0.68 H new ATOM 0 HE1 MET A 59 -34.916 31.041 16.827 1.00 0.46 H new ATOM 0 HE2 MET A 59 -33.698 29.986 17.582 1.00 0.46 H new ATOM 0 HE3 MET A 59 -35.000 29.278 16.597 1.00 0.46 H new ATOM 931 N THR A 60 -34.993 25.005 21.239 1.00 0.42 N ATOM 932 CA THR A 60 -34.479 23.648 21.172 1.00 0.40 C ATOM 933 C THR A 60 -35.482 22.868 20.353 1.00 0.38 C ATOM 934 O THR A 60 -36.715 23.161 20.227 1.00 0.49 O ATOM 935 CB THR A 60 -34.407 22.900 22.534 1.00 0.54 C ATOM 936 OG1 THR A 60 -35.620 22.955 23.261 1.00 0.68 O ATOM 937 CG2 THR A 60 -33.377 23.457 23.468 1.00 0.53 C ATOM 0 H THR A 60 -36.009 25.067 21.298 1.00 0.42 H new ATOM 0 HA THR A 60 -33.466 23.713 20.776 1.00 0.40 H new ATOM 0 HB THR A 60 -34.161 21.881 22.235 1.00 0.54 H new ATOM 0 HG1 THR A 60 -35.518 22.468 24.105 1.00 0.68 H new ATOM 0 HG21 THR A 60 -33.382 22.887 24.397 1.00 0.53 H new ATOM 0 HG22 THR A 60 -32.392 23.389 23.006 1.00 0.53 H new ATOM 0 HG23 THR A 60 -33.606 24.501 23.681 1.00 0.53 H new ATOM 945 N ASN A 61 -35.005 21.924 19.571 1.00 0.30 N ATOM 946 CA ASN A 61 -35.791 20.982 18.775 1.00 0.29 C ATOM 947 C ASN A 61 -35.343 19.562 19.077 1.00 0.30 C ATOM 948 O ASN A 61 -34.229 19.155 18.770 1.00 0.52 O ATOM 949 CB ASN A 61 -35.622 21.120 17.263 1.00 0.32 C ATOM 950 CG ASN A 61 -35.939 22.497 16.718 1.00 0.45 C ATOM 951 OD1 ASN A 61 -35.277 22.884 15.791 1.00 0.84 O ATOM 952 ND2 ASN A 61 -36.961 23.178 17.198 1.00 0.47 N ATOM 0 H ASN A 61 -34.001 21.778 19.461 1.00 0.30 H new ATOM 0 HA ASN A 61 -36.824 21.201 19.045 1.00 0.29 H new ATOM 0 HB2 ASN A 61 -34.595 20.867 17.001 1.00 0.32 H new ATOM 0 HB3 ASN A 61 -36.266 20.391 16.770 1.00 0.32 H new ATOM 0 HD21 ASN A 61 -37.219 24.073 16.781 1.00 0.47 H new ATOM 0 HD22 ASN A 61 -37.494 22.810 17.986 1.00 0.47 H new ATOM 959 N LYS A 62 -36.273 18.717 19.635 1.00 0.29 N ATOM 960 CA LYS A 62 -35.949 17.341 20.001 1.00 0.29 C ATOM 961 C LYS A 62 -37.014 16.388 19.449 1.00 0.29 C ATOM 962 O LYS A 62 -38.219 16.604 19.613 1.00 0.39 O ATOM 963 CB LYS A 62 -35.905 17.205 21.547 1.00 0.28 C ATOM 964 CG LYS A 62 -34.909 18.120 22.365 1.00 0.31 C ATOM 965 CD LYS A 62 -34.986 17.959 23.821 1.00 0.43 C ATOM 966 CE LYS A 62 -33.721 18.705 24.398 1.00 0.46 C ATOM 967 NZ LYS A 62 -33.794 18.861 25.841 1.00 0.83 N ATOM 0 H LYS A 62 -37.238 18.986 19.830 1.00 0.29 H new ATOM 0 HA LYS A 62 -34.976 17.086 19.580 1.00 0.29 H new ATOM 0 HB2 LYS A 62 -36.910 17.393 21.923 1.00 0.28 H new ATOM 0 HB3 LYS A 62 -35.667 16.167 21.780 1.00 0.28 H new ATOM 0 HG2 LYS A 62 -33.890 17.904 22.042 1.00 0.31 H new ATOM 0 HG3 LYS A 62 -35.108 19.163 22.117 1.00 0.31 H new ATOM 0 HD2 LYS A 62 -35.907 18.388 24.215 1.00 0.43 H new ATOM 0 HD3 LYS A 62 -34.981 16.905 24.100 1.00 0.43 H new ATOM 0 HE2 LYS A 62 -32.821 18.147 24.138 1.00 0.46 H new ATOM 0 HE3 LYS A 62 -33.634 19.686 23.931 1.00 0.46 H new ATOM 0 HZ1 LYS A 62 -32.944 19.356 26.180 1.00 0.83 H new ATOM 0 HZ2 LYS A 62 -34.639 19.415 26.088 1.00 0.83 H new ATOM 0 HZ3 LYS A 62 -33.851 17.924 26.289 1.00 0.83 H new ATOM 981 N PHE A 63 -36.564 15.351 18.706 1.00 0.27 N ATOM 982 CA PHE A 63 -37.343 14.371 17.967 1.00 0.25 C ATOM 983 C PHE A 63 -36.645 13.024 17.816 1.00 0.22 C ATOM 984 O PHE A 63 -35.390 12.996 17.983 1.00 0.22 O ATOM 985 CB PHE A 63 -37.918 14.878 16.615 1.00 0.30 C ATOM 986 CG PHE A 63 -36.888 15.053 15.571 1.00 0.30 C ATOM 987 CD1 PHE A 63 -36.150 16.220 15.370 1.00 0.53 C ATOM 988 CD2 PHE A 63 -36.777 14.045 14.551 1.00 0.34 C ATOM 989 CE1 PHE A 63 -35.234 16.264 14.337 1.00 0.58 C ATOM 990 CE2 PHE A 63 -35.848 14.075 13.540 1.00 0.40 C ATOM 991 CZ PHE A 63 -35.096 15.210 13.429 1.00 0.42 C ATOM 0 H PHE A 63 -35.563 15.177 18.610 1.00 0.27 H new ATOM 0 HA PHE A 63 -38.210 14.209 18.607 1.00 0.25 H new ATOM 0 HB2 PHE A 63 -38.669 14.172 16.260 1.00 0.30 H new ATOM 0 HB3 PHE A 63 -38.426 15.829 16.778 1.00 0.30 H new ATOM 0 HD1 PHE A 63 -36.293 17.076 16.013 1.00 0.53 H new ATOM 0 HD2 PHE A 63 -37.466 13.214 14.582 1.00 0.34 H new ATOM 0 HE1 PHE A 63 -34.607 17.137 14.228 1.00 0.58 H new ATOM 0 HE2 PHE A 63 -35.718 13.242 12.865 1.00 0.40 H new ATOM 0 HZ PHE A 63 -34.381 15.295 12.624 1.00 0.42 H new ATOM 1001 N THR A 64 -37.368 11.953 17.487 1.00 0.21 N ATOM 1002 CA THR A 64 -36.802 10.680 17.004 1.00 0.19 C ATOM 1003 C THR A 64 -36.991 10.527 15.499 1.00 0.18 C ATOM 1004 O THR A 64 -38.084 10.782 14.991 1.00 0.21 O ATOM 1005 CB THR A 64 -37.376 9.459 17.742 1.00 0.22 C ATOM 1006 OG1 THR A 64 -37.450 9.688 19.128 1.00 0.29 O ATOM 1007 CG2 THR A 64 -36.626 8.157 17.469 1.00 0.21 C ATOM 0 H THR A 64 -38.386 11.940 17.548 1.00 0.21 H new ATOM 0 HA THR A 64 -35.735 10.718 17.222 1.00 0.19 H new ATOM 0 HB THR A 64 -38.380 9.330 17.338 1.00 0.22 H new ATOM 0 HG1 THR A 64 -36.661 9.305 19.565 1.00 0.29 H new ATOM 0 HG21 THR A 64 -37.093 7.345 18.026 1.00 0.21 H new ATOM 0 HG22 THR A 64 -36.662 7.933 16.403 1.00 0.21 H new ATOM 0 HG23 THR A 64 -35.588 8.263 17.783 1.00 0.21 H new ATOM 1015 N VAL A 65 -35.942 10.236 14.736 1.00 0.18 N ATOM 1016 CA VAL A 65 -36.016 10.084 13.324 1.00 0.19 C ATOM 1017 C VAL A 65 -36.748 8.755 12.973 1.00 0.18 C ATOM 1018 O VAL A 65 -36.698 7.734 13.657 1.00 0.25 O ATOM 1019 CB VAL A 65 -34.622 10.101 12.618 1.00 0.28 C ATOM 1020 CG1 VAL A 65 -33.943 8.724 12.538 1.00 0.60 C ATOM 1021 CG2 VAL A 65 -34.830 10.610 11.186 1.00 0.86 C ATOM 0 H VAL A 65 -35.003 10.100 15.111 1.00 0.18 H new ATOM 0 HA VAL A 65 -36.571 10.946 12.954 1.00 0.19 H new ATOM 0 HB VAL A 65 -33.970 10.741 13.212 1.00 0.28 H new ATOM 0 HG11 VAL A 65 -32.981 8.821 12.035 1.00 0.60 H new ATOM 0 HG12 VAL A 65 -33.788 8.336 13.545 1.00 0.60 H new ATOM 0 HG13 VAL A 65 -34.578 8.037 11.978 1.00 0.60 H new ATOM 0 HG21 VAL A 65 -33.873 10.634 10.666 1.00 0.86 H new ATOM 0 HG22 VAL A 65 -35.513 9.944 10.659 1.00 0.86 H new ATOM 0 HG23 VAL A 65 -35.252 11.615 11.215 1.00 0.86 H new ATOM 1031 N GLY A 66 -37.614 8.837 11.959 1.00 0.16 N ATOM 1032 CA GLY A 66 -38.638 7.829 11.661 1.00 0.19 C ATOM 1033 C GLY A 66 -39.948 7.986 12.452 1.00 0.20 C ATOM 1034 O GLY A 66 -40.810 7.118 12.350 1.00 0.26 O ATOM 0 H GLY A 66 -37.624 9.622 11.308 1.00 0.16 H new ATOM 0 HA2 GLY A 66 -38.866 7.868 10.596 1.00 0.19 H new ATOM 0 HA3 GLY A 66 -38.224 6.841 11.863 1.00 0.19 H new ATOM 1038 N LYS A 67 -40.141 9.092 13.194 1.00 0.18 N ATOM 1039 CA LYS A 67 -41.324 9.331 14.046 1.00 0.20 C ATOM 1040 C LYS A 67 -42.093 10.607 13.658 1.00 0.21 C ATOM 1041 O LYS A 67 -41.502 11.604 13.251 1.00 0.41 O ATOM 1042 CB LYS A 67 -40.858 9.334 15.514 1.00 0.35 C ATOM 1043 CG LYS A 67 -41.989 9.216 16.542 1.00 0.36 C ATOM 1044 CD LYS A 67 -41.410 9.207 17.966 1.00 0.65 C ATOM 1045 CE LYS A 67 -42.513 9.157 19.029 1.00 0.84 C ATOM 1046 NZ LYS A 67 -43.350 10.390 19.050 1.00 1.54 N ATOM 0 H LYS A 67 -39.469 9.859 13.220 1.00 0.18 H new ATOM 0 HA LYS A 67 -42.047 8.529 13.897 1.00 0.20 H new ATOM 0 HB2 LYS A 67 -40.162 8.508 15.662 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -40.306 10.254 15.705 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -42.683 10.049 16.428 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -42.557 8.302 16.366 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -40.751 8.347 18.085 1.00 0.65 H new ATOM 0 HD3 LYS A 67 -40.801 10.098 18.116 1.00 0.65 H new ATOM 0 HE2 LYS A 67 -43.151 8.293 18.844 1.00 0.84 H new ATOM 0 HE3 LYS A 67 -42.060 9.014 20.010 1.00 0.84 H new ATOM 0 HZ1 LYS A 67 -44.046 10.324 19.820 1.00 1.54 H new ATOM 0 HZ2 LYS A 67 -42.742 11.220 19.203 1.00 1.54 H new ATOM 0 HZ3 LYS A 67 -43.847 10.488 18.141 1.00 1.54 H new ATOM 1060 N GLU A 68 -43.392 10.602 13.963 1.00 0.20 N ATOM 1061 CA GLU A 68 -44.298 11.707 13.652 1.00 0.23 C ATOM 1062 C GLU A 68 -44.703 12.461 14.919 1.00 0.29 C ATOM 1063 O GLU A 68 -44.868 11.907 15.958 1.00 0.38 O ATOM 1064 CB GLU A 68 -45.503 11.182 12.783 1.00 0.28 C ATOM 1065 CG GLU A 68 -46.277 12.288 12.141 1.00 0.36 C ATOM 1066 CD GLU A 68 -47.579 11.680 11.579 1.00 0.49 C ATOM 1067 OE1 GLU A 68 -48.415 11.116 12.333 1.00 0.62 O ATOM 1068 OE2 GLU A 68 -47.822 11.911 10.347 1.00 0.57 O ATOM 0 H GLU A 68 -43.848 9.823 14.437 1.00 0.20 H new ATOM 0 HA GLU A 68 -43.786 12.450 13.041 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -45.124 10.513 12.010 1.00 0.28 H new ATOM 0 HB3 GLU A 68 -46.171 10.595 13.413 1.00 0.28 H new ATOM 0 HG2 GLU A 68 -46.501 13.070 12.867 1.00 0.36 H new ATOM 0 HG3 GLU A 68 -45.695 12.750 11.344 1.00 0.36 H new ATOM 1075 N SER A 69 -44.997 13.726 14.671 1.00 0.29 N ATOM 1076 CA SER A 69 -45.569 14.680 15.674 1.00 0.34 C ATOM 1077 C SER A 69 -44.810 14.903 16.953 1.00 0.34 C ATOM 1078 O SER A 69 -45.355 14.733 18.064 1.00 0.40 O ATOM 1079 CB SER A 69 -47.082 14.351 15.849 1.00 0.43 C ATOM 1080 OG SER A 69 -47.748 15.588 16.150 1.00 1.30 O ATOM 0 H SER A 69 -44.851 14.151 13.756 1.00 0.29 H new ATOM 0 HA SER A 69 -45.449 15.679 15.255 1.00 0.34 H new ATOM 0 HB2 SER A 69 -47.488 13.906 14.941 1.00 0.43 H new ATOM 0 HB3 SER A 69 -47.229 13.628 16.652 1.00 0.43 H new ATOM 0 HG SER A 69 -48.707 15.423 16.266 1.00 1.30 H new ATOM 1086 N ASN A 70 -43.495 14.997 16.798 1.00 0.32 N ATOM 1087 CA ASN A 70 -42.548 15.242 17.875 1.00 0.38 C ATOM 1088 C ASN A 70 -41.744 16.528 17.619 1.00 0.34 C ATOM 1089 O ASN A 70 -40.932 16.893 18.455 1.00 0.37 O ATOM 1090 CB ASN A 70 -41.620 14.017 17.961 1.00 0.49 C ATOM 1091 CG ASN A 70 -41.338 13.635 19.396 1.00 0.63 C ATOM 1092 OD1 ASN A 70 -41.803 12.599 19.856 1.00 0.98 O ATOM 1093 ND2 ASN A 70 -40.539 14.397 20.100 1.00 0.85 N ATOM 0 H ASN A 70 -43.045 14.901 15.888 1.00 0.32 H new ATOM 0 HA ASN A 70 -43.075 15.384 18.819 1.00 0.38 H new ATOM 0 HB2 ASN A 70 -42.079 13.175 17.443 1.00 0.49 H new ATOM 0 HB3 ASN A 70 -40.682 14.233 17.450 1.00 0.49 H new ATOM 0 HD21 ASN A 70 -40.291 14.133 21.053 1.00 0.85 H new ATOM 0 HD22 ASN A 70 -40.164 15.255 19.695 1.00 0.85 H new ATOM 1100 N ILE A 71 -41.867 17.118 16.427 1.00 0.30 N ATOM 1101 CA ILE A 71 -40.847 17.958 15.788 1.00 0.28 C ATOM 1102 C ILE A 71 -41.282 19.421 15.779 1.00 0.29 C ATOM 1103 O ILE A 71 -42.403 19.712 15.352 1.00 0.30 O ATOM 1104 CB ILE A 71 -40.596 17.480 14.337 1.00 0.24 C ATOM 1105 CG1 ILE A 71 -40.603 15.943 14.157 1.00 0.24 C ATOM 1106 CG2 ILE A 71 -39.274 18.047 13.811 1.00 0.23 C ATOM 1107 CD1 ILE A 71 -41.946 15.435 13.623 1.00 0.24 C ATOM 0 H ILE A 71 -42.709 17.021 15.859 1.00 0.30 H new ATOM 0 HA ILE A 71 -39.924 17.871 16.361 1.00 0.28 H new ATOM 0 HB ILE A 71 -41.439 17.860 13.759 1.00 0.24 H new ATOM 0 HG12 ILE A 71 -39.807 15.655 13.470 1.00 0.24 H new ATOM 0 HG13 ILE A 71 -40.388 15.465 15.113 1.00 0.24 H new ATOM 0 HG21 ILE A 71 -39.111 17.702 12.790 1.00 0.23 H new ATOM 0 HG22 ILE A 71 -39.314 19.136 13.824 1.00 0.23 H new ATOM 0 HG23 ILE A 71 -38.455 17.706 14.444 1.00 0.23 H new ATOM 0 HD11 ILE A 71 -41.907 14.351 13.512 1.00 0.24 H new ATOM 0 HD12 ILE A 71 -42.739 15.700 14.322 1.00 0.24 H new ATOM 0 HD13 ILE A 71 -42.149 15.892 12.655 1.00 0.24 H new ATOM 1119 N GLN A 72 -40.368 20.338 16.105 1.00 0.29 N ATOM 1120 CA GLN A 72 -40.585 21.796 16.087 1.00 0.33 C ATOM 1121 C GLN A 72 -39.745 22.538 15.078 1.00 0.31 C ATOM 1122 O GLN A 72 -38.691 22.034 14.624 1.00 0.29 O ATOM 1123 CB GLN A 72 -40.413 22.414 17.464 1.00 0.38 C ATOM 1124 CG GLN A 72 -41.241 21.852 18.667 1.00 0.46 C ATOM 1125 CD GLN A 72 -40.889 20.422 19.109 1.00 0.95 C ATOM 1126 OE1 GLN A 72 -39.732 20.026 19.207 1.00 1.15 O ATOM 1127 NE2 GLN A 72 -41.972 19.554 19.128 1.00 1.96 N ATOM 0 H GLN A 72 -39.425 20.083 16.399 1.00 0.29 H new ATOM 0 HA GLN A 72 -41.622 21.910 15.770 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -39.358 22.336 17.728 1.00 0.38 H new ATOM 0 HB3 GLN A 72 -40.642 23.476 17.377 1.00 0.38 H new ATOM 0 HG2 GLN A 72 -41.108 22.519 19.519 1.00 0.46 H new ATOM 0 HG3 GLN A 72 -42.298 21.881 18.402 1.00 0.46 H new ATOM 0 HE21 GLN A 72 -42.920 19.920 19.044 1.00 1.96 H new ATOM 0 HE22 GLN A 72 -41.819 18.550 19.226 1.00 1.96 H new ATOM 1136 N THR A 73 -40.202 23.731 14.716 1.00 0.36 N ATOM 1137 CA THR A 73 -39.486 24.765 13.959 1.00 0.38 C ATOM 1138 C THR A 73 -38.560 25.615 14.857 1.00 0.42 C ATOM 1139 O THR A 73 -38.608 25.499 16.084 1.00 0.43 O ATOM 1140 CB THR A 73 -40.522 25.674 13.287 1.00 0.42 C ATOM 1141 OG1 THR A 73 -41.318 26.294 14.254 1.00 0.48 O ATOM 1142 CG2 THR A 73 -41.437 24.955 12.295 1.00 0.40 C ATOM 0 H THR A 73 -41.148 24.027 14.958 1.00 0.36 H new ATOM 0 HA THR A 73 -38.853 24.273 13.220 1.00 0.38 H new ATOM 0 HB THR A 73 -39.943 26.403 12.720 1.00 0.42 H new ATOM 0 HG1 THR A 73 -41.975 26.873 13.815 1.00 0.48 H new ATOM 0 HG21 THR A 73 -42.140 25.669 11.865 1.00 0.40 H new ATOM 0 HG22 THR A 73 -40.836 24.513 11.500 1.00 0.40 H new ATOM 0 HG23 THR A 73 -41.989 24.170 12.812 1.00 0.40 H new ATOM 1150 N MET A 74 -37.758 26.499 14.258 1.00 0.45 N ATOM 1151 CA MET A 74 -37.078 27.575 14.982 1.00 0.51 C ATOM 1152 C MET A 74 -38.022 28.701 15.379 1.00 0.60 C ATOM 1153 O MET A 74 -37.743 29.339 16.388 1.00 0.78 O ATOM 1154 CB MET A 74 -35.890 28.152 14.203 1.00 0.63 C ATOM 1155 CG MET A 74 -34.611 27.371 14.506 1.00 0.69 C ATOM 1156 SD MET A 74 -33.131 27.974 13.658 1.00 1.11 S ATOM 1157 CE MET A 74 -32.835 26.655 12.456 1.00 0.59 C ATOM 0 H MET A 74 -37.562 26.489 13.257 1.00 0.45 H new ATOM 0 HA MET A 74 -36.698 27.108 15.891 1.00 0.51 H new ATOM 0 HB2 MET A 74 -36.099 28.116 13.134 1.00 0.63 H new ATOM 0 HB3 MET A 74 -35.752 29.201 14.466 1.00 0.63 H new ATOM 0 HG2 MET A 74 -34.432 27.398 15.581 1.00 0.69 H new ATOM 0 HG3 MET A 74 -34.767 26.327 14.235 1.00 0.69 H new ATOM 0 HE1 MET A 74 -31.821 26.740 12.065 1.00 0.59 H new ATOM 0 HE2 MET A 74 -32.958 25.687 12.941 1.00 0.59 H new ATOM 0 HE3 MET A 74 -33.548 26.743 11.636 1.00 0.59 H new ATOM 1167 N GLY A 75 -39.212 28.836 14.775 1.00 0.57 N ATOM 1168 CA GLY A 75 -40.177 29.699 15.307 1.00 0.65 C ATOM 1169 C GLY A 75 -40.918 29.014 16.424 1.00 0.64 C ATOM 1170 O GLY A 75 -41.814 29.610 17.031 1.00 0.73 O ATOM 0 H GLY A 75 -39.491 28.346 13.925 1.00 0.57 H new ATOM 0 HA2 GLY A 75 -39.701 30.607 15.678 1.00 0.65 H new ATOM 0 HA3 GLY A 75 -40.876 30.002 14.527 1.00 0.65 H new ATOM 1174 N GLY A 76 -40.628 27.755 16.785 1.00 0.56 N ATOM 1175 CA GLY A 76 -41.184 27.019 17.954 1.00 0.57 C ATOM 1176 C GLY A 76 -42.479 26.271 17.745 1.00 0.58 C ATOM 1177 O GLY A 76 -43.056 25.757 18.671 1.00 0.63 O ATOM 0 H GLY A 76 -39.970 27.187 16.252 1.00 0.56 H new ATOM 0 HA2 GLY A 76 -40.433 26.306 18.293 1.00 0.57 H new ATOM 0 HA3 GLY A 76 -41.333 27.734 18.763 1.00 0.57 H new ATOM 1181 N LYS A 77 -42.962 26.211 16.521 1.00 0.54 N ATOM 1182 CA LYS A 77 -44.153 25.441 16.175 1.00 0.56 C ATOM 1183 C LYS A 77 -43.947 23.959 16.033 1.00 0.49 C ATOM 1184 O LYS A 77 -43.035 23.515 15.383 1.00 0.43 O ATOM 1185 CB LYS A 77 -44.787 25.969 14.883 1.00 0.59 C ATOM 1186 CG LYS A 77 -46.102 25.224 14.400 1.00 0.67 C ATOM 1187 CD LYS A 77 -46.670 26.011 13.212 1.00 0.74 C ATOM 1188 CE LYS A 77 -47.444 27.243 13.554 1.00 1.17 C ATOM 1189 NZ LYS A 77 -47.846 27.920 12.267 1.00 1.76 N ATOM 0 H LYS A 77 -42.541 26.696 15.729 1.00 0.54 H new ATOM 0 HA LYS A 77 -44.813 25.581 17.031 1.00 0.56 H new ATOM 0 HB2 LYS A 77 -45.021 27.025 15.021 1.00 0.59 H new ATOM 0 HB3 LYS A 77 -44.045 25.909 14.086 1.00 0.59 H new ATOM 0 HG2 LYS A 77 -45.876 24.199 14.107 1.00 0.67 H new ATOM 0 HG3 LYS A 77 -46.831 25.171 15.208 1.00 0.67 H new ATOM 0 HD2 LYS A 77 -45.843 26.294 12.560 1.00 0.74 H new ATOM 0 HD3 LYS A 77 -47.316 25.347 12.637 1.00 0.74 H new ATOM 0 HE2 LYS A 77 -48.326 26.987 14.140 1.00 1.17 H new ATOM 0 HE3 LYS A 77 -46.840 27.914 14.164 1.00 1.17 H new ATOM 0 HZ1 LYS A 77 -48.387 28.782 12.482 1.00 1.76 H new ATOM 0 HZ2 LYS A 77 -46.994 28.172 11.727 1.00 1.76 H new ATOM 0 HZ3 LYS A 77 -48.435 27.273 11.704 1.00 1.76 H new ATOM 1203 N THR A 78 -44.805 23.143 16.658 1.00 0.50 N ATOM 1204 CA THR A 78 -44.864 21.692 16.378 1.00 0.45 C ATOM 1205 C THR A 78 -45.674 21.409 15.111 1.00 0.44 C ATOM 1206 O THR A 78 -46.813 21.864 15.015 1.00 0.51 O ATOM 1207 CB THR A 78 -45.417 20.880 17.561 1.00 0.50 C ATOM 1208 OG1 THR A 78 -44.690 21.151 18.739 1.00 0.54 O ATOM 1209 CG2 THR A 78 -45.349 19.367 17.349 1.00 0.45 C ATOM 0 H THR A 78 -45.471 23.458 17.363 1.00 0.50 H new ATOM 0 HA THR A 78 -43.836 21.367 16.220 1.00 0.45 H new ATOM 0 HB THR A 78 -46.460 21.185 17.644 1.00 0.50 H new ATOM 0 HG1 THR A 78 -45.059 20.626 19.479 1.00 0.54 H new ATOM 0 HG21 THR A 78 -45.756 18.858 18.223 1.00 0.45 H new ATOM 0 HG22 THR A 78 -45.931 19.097 16.468 1.00 0.45 H new ATOM 0 HG23 THR A 78 -44.311 19.066 17.205 1.00 0.45 H new ATOM 1217 N PHE A 79 -45.192 20.537 14.215 1.00 0.35 N ATOM 1218 CA PHE A 79 -45.878 20.056 13.060 1.00 0.32 C ATOM 1219 C PHE A 79 -45.693 18.548 12.749 1.00 0.30 C ATOM 1220 O PHE A 79 -44.737 17.895 13.322 1.00 0.32 O ATOM 1221 CB PHE A 79 -45.635 20.984 11.861 1.00 0.29 C ATOM 1222 CG PHE A 79 -44.124 21.263 11.467 1.00 0.26 C ATOM 1223 CD1 PHE A 79 -43.022 20.587 12.006 1.00 0.24 C ATOM 1224 CD2 PHE A 79 -43.861 22.144 10.401 1.00 0.27 C ATOM 1225 CE1 PHE A 79 -41.703 20.945 11.634 1.00 0.22 C ATOM 1226 CE2 PHE A 79 -42.517 22.497 10.000 1.00 0.26 C ATOM 1227 CZ PHE A 79 -41.419 21.823 10.594 1.00 0.23 C ATOM 0 H PHE A 79 -44.257 20.140 14.304 1.00 0.35 H new ATOM 0 HA PHE A 79 -46.940 20.099 13.301 1.00 0.32 H new ATOM 0 HB2 PHE A 79 -46.139 20.557 10.994 1.00 0.29 H new ATOM 0 HB3 PHE A 79 -46.114 21.941 12.069 1.00 0.29 H new ATOM 0 HD1 PHE A 79 -43.180 19.785 12.712 1.00 0.24 H new ATOM 0 HD2 PHE A 79 -44.694 22.572 9.863 1.00 0.27 H new ATOM 0 HE1 PHE A 79 -40.879 20.516 12.184 1.00 0.22 H new ATOM 0 HE2 PHE A 79 -42.351 23.264 9.258 1.00 0.26 H new ATOM 0 HZ PHE A 79 -40.407 21.985 10.253 1.00 0.23 H new ATOM 1237 N LYS A 80 -46.580 17.960 11.922 1.00 0.30 N ATOM 1238 CA LYS A 80 -46.622 16.565 11.751 1.00 0.31 C ATOM 1239 C LYS A 80 -46.130 16.070 10.438 1.00 0.27 C ATOM 1240 O LYS A 80 -46.839 16.246 9.504 1.00 0.27 O ATOM 1241 CB LYS A 80 -48.099 16.150 11.741 1.00 0.37 C ATOM 1242 CG LYS A 80 -48.750 16.563 13.059 1.00 0.76 C ATOM 1243 CD LYS A 80 -49.649 17.803 13.054 1.00 0.51 C ATOM 1244 CE LYS A 80 -50.365 17.994 14.415 1.00 1.43 C ATOM 1245 NZ LYS A 80 -51.403 16.949 14.679 1.00 1.96 N ATOM 0 H LYS A 80 -47.270 18.472 11.372 1.00 0.30 H new ATOM 0 HA LYS A 80 -45.997 16.162 12.548 1.00 0.31 H new ATOM 0 HB2 LYS A 80 -48.615 16.621 10.904 1.00 0.37 H new ATOM 0 HB3 LYS A 80 -48.185 15.072 11.602 1.00 0.37 H new ATOM 0 HG2 LYS A 80 -49.342 15.721 13.418 1.00 0.76 H new ATOM 0 HG3 LYS A 80 -47.956 16.728 13.787 1.00 0.76 H new ATOM 0 HD2 LYS A 80 -49.051 18.686 12.830 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -50.392 17.712 12.261 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -49.625 17.974 15.215 1.00 1.43 H new ATOM 0 HE3 LYS A 80 -50.833 18.978 14.438 1.00 1.43 H new ATOM 0 HZ1 LYS A 80 -51.951 17.210 15.523 1.00 1.96 H new ATOM 0 HZ2 LYS A 80 -52.040 16.878 13.860 1.00 1.96 H new ATOM 0 HZ3 LYS A 80 -50.940 16.032 14.837 1.00 1.96 H new ATOM 1259 N ALA A 81 -44.867 15.698 10.395 1.00 0.25 N ATOM 1260 CA ALA A 81 -44.301 14.911 9.320 1.00 0.21 C ATOM 1261 C ALA A 81 -43.376 13.865 9.944 1.00 0.20 C ATOM 1262 O ALA A 81 -43.016 13.961 11.116 1.00 0.22 O ATOM 1263 CB ALA A 81 -43.583 15.826 8.319 1.00 0.19 C ATOM 0 H ALA A 81 -44.192 15.939 11.121 1.00 0.25 H new ATOM 0 HA ALA A 81 -45.075 14.393 8.754 1.00 0.21 H new ATOM 0 HB1 ALA A 81 -43.161 15.224 7.514 1.00 0.19 H new ATOM 0 HB2 ALA A 81 -44.294 16.540 7.904 1.00 0.19 H new ATOM 0 HB3 ALA A 81 -42.783 16.365 8.827 1.00 0.19 H new ATOM 1269 N THR A 82 -43.009 12.849 9.160 1.00 0.19 N ATOM 1270 CA THR A 82 -42.034 11.818 9.551 1.00 0.18 C ATOM 1271 C THR A 82 -40.681 12.173 8.939 1.00 0.16 C ATOM 1272 O THR A 82 -40.510 12.132 7.723 1.00 0.18 O ATOM 1273 CB THR A 82 -42.498 10.435 9.073 1.00 0.23 C ATOM 1274 OG1 THR A 82 -43.625 10.063 9.829 1.00 0.28 O ATOM 1275 CG2 THR A 82 -41.452 9.341 9.296 1.00 0.24 C ATOM 0 H THR A 82 -43.384 12.714 8.221 1.00 0.19 H new ATOM 0 HA THR A 82 -41.947 11.782 10.637 1.00 0.18 H new ATOM 0 HB THR A 82 -42.697 10.519 8.005 1.00 0.23 H new ATOM 0 HG1 THR A 82 -43.938 9.181 9.537 1.00 0.28 H new ATOM 0 HG21 THR A 82 -41.840 8.388 8.937 1.00 0.24 H new ATOM 0 HG22 THR A 82 -40.542 9.591 8.750 1.00 0.24 H new ATOM 0 HG23 THR A 82 -41.227 9.264 10.360 1.00 0.24 H new ATOM 1283 N VAL A 83 -39.729 12.571 9.784 1.00 0.14 N ATOM 1284 CA VAL A 83 -38.324 12.806 9.396 1.00 0.14 C ATOM 1285 C VAL A 83 -37.607 11.500 9.032 1.00 0.15 C ATOM 1286 O VAL A 83 -37.839 10.499 9.705 1.00 0.18 O ATOM 1287 CB VAL A 83 -37.549 13.580 10.487 1.00 0.14 C ATOM 1288 CG1 VAL A 83 -36.287 14.261 9.942 1.00 0.17 C ATOM 1289 CG2 VAL A 83 -38.398 14.644 11.202 1.00 0.17 C ATOM 0 H VAL A 83 -39.908 12.744 10.773 1.00 0.14 H new ATOM 0 HA VAL A 83 -38.345 13.429 8.502 1.00 0.14 H new ATOM 0 HB VAL A 83 -37.270 12.812 11.208 1.00 0.14 H new ATOM 0 HG11 VAL A 83 -35.781 14.790 10.750 1.00 0.17 H new ATOM 0 HG12 VAL A 83 -35.618 13.508 9.527 1.00 0.17 H new ATOM 0 HG13 VAL A 83 -36.564 14.970 9.162 1.00 0.17 H new ATOM 0 HG21 VAL A 83 -37.791 15.148 11.954 1.00 0.17 H new ATOM 0 HG22 VAL A 83 -38.755 15.374 10.475 1.00 0.17 H new ATOM 0 HG23 VAL A 83 -39.250 14.166 11.684 1.00 0.17 H new ATOM 1299 N GLN A 84 -36.647 11.512 8.099 1.00 0.14 N ATOM 1300 CA GLN A 84 -35.834 10.332 7.723 1.00 0.15 C ATOM 1301 C GLN A 84 -34.319 10.621 7.819 1.00 0.15 C ATOM 1302 O GLN A 84 -33.921 11.787 7.761 1.00 0.16 O ATOM 1303 CB GLN A 84 -36.203 9.844 6.305 1.00 0.17 C ATOM 1304 CG GLN A 84 -37.701 9.600 6.033 1.00 0.19 C ATOM 1305 CD GLN A 84 -38.019 9.637 4.536 1.00 0.24 C ATOM 1306 OE1 GLN A 84 -38.773 10.375 3.927 1.00 0.51 O ATOM 1307 NE2 GLN A 84 -37.405 8.758 3.773 1.00 0.52 N ATOM 0 H GLN A 84 -36.404 12.351 7.572 1.00 0.14 H new ATOM 0 HA GLN A 84 -36.062 9.541 8.437 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -35.840 10.578 5.586 1.00 0.17 H new ATOM 0 HB3 GLN A 84 -35.665 8.916 6.112 1.00 0.17 H new ATOM 0 HG2 GLN A 84 -37.992 8.633 6.443 1.00 0.19 H new ATOM 0 HG3 GLN A 84 -38.292 10.356 6.549 1.00 0.19 H new ATOM 0 HE21 GLN A 84 -36.751 8.093 4.186 1.00 0.52 H new ATOM 0 HE22 GLN A 84 -37.583 8.742 2.769 1.00 0.52 H new ATOM 1316 N MET A 85 -33.473 9.580 7.949 1.00 0.16 N ATOM 1317 CA MET A 85 -32.043 9.655 7.618 1.00 0.17 C ATOM 1318 C MET A 85 -31.757 9.045 6.247 1.00 0.20 C ATOM 1319 O MET A 85 -32.057 7.880 6.020 1.00 0.22 O ATOM 1320 CB MET A 85 -31.148 9.054 8.714 1.00 0.21 C ATOM 1321 CG MET A 85 -31.030 9.998 9.919 1.00 0.21 C ATOM 1322 SD MET A 85 -29.735 9.624 11.134 1.00 0.23 S ATOM 1323 CE MET A 85 -28.262 10.004 10.159 1.00 0.19 C ATOM 0 H MET A 85 -33.766 8.664 8.287 1.00 0.16 H new ATOM 0 HA MET A 85 -31.787 10.713 7.567 1.00 0.17 H new ATOM 0 HB2 MET A 85 -31.559 8.098 9.038 1.00 0.21 H new ATOM 0 HB3 MET A 85 -30.157 8.854 8.308 1.00 0.21 H new ATOM 0 HG2 MET A 85 -30.861 11.007 9.544 1.00 0.21 H new ATOM 0 HG3 MET A 85 -31.989 10.007 10.438 1.00 0.21 H new ATOM 0 HE1 MET A 85 -27.633 9.117 10.089 1.00 0.19 H new ATOM 0 HE2 MET A 85 -28.559 10.318 9.158 1.00 0.19 H new ATOM 0 HE3 MET A 85 -27.704 10.807 10.640 1.00 0.19 H new ATOM 1333 N GLU A 86 -31.013 9.766 5.410 1.00 0.26 N ATOM 1334 CA GLU A 86 -30.758 9.501 4.011 1.00 0.31 C ATOM 1335 C GLU A 86 -29.227 9.518 3.774 1.00 0.31 C ATOM 1336 O GLU A 86 -28.674 10.381 3.133 1.00 0.34 O ATOM 1337 CB GLU A 86 -31.461 10.531 3.063 1.00 0.40 C ATOM 1338 CG GLU A 86 -32.997 10.302 2.921 1.00 0.41 C ATOM 1339 CD GLU A 86 -33.195 9.234 1.836 1.00 0.95 C ATOM 1340 OE1 GLU A 86 -32.772 9.566 0.688 1.00 1.35 O ATOM 1341 OE2 GLU A 86 -33.960 8.261 1.993 1.00 1.53 O ATOM 0 H GLU A 86 -30.541 10.613 5.725 1.00 0.26 H new ATOM 0 HA GLU A 86 -31.175 8.523 3.771 1.00 0.31 H new ATOM 0 HB2 GLU A 86 -31.286 11.538 3.441 1.00 0.40 H new ATOM 0 HB3 GLU A 86 -31.001 10.476 2.076 1.00 0.40 H new ATOM 0 HG2 GLU A 86 -33.427 9.974 3.867 1.00 0.41 H new ATOM 0 HG3 GLU A 86 -33.501 11.229 2.646 1.00 0.41 H new ATOM 1348 N GLY A 87 -28.467 8.558 4.317 1.00 0.36 N ATOM 1349 CA GLY A 87 -27.036 8.511 4.092 1.00 0.43 C ATOM 1350 C GLY A 87 -26.220 9.023 5.205 1.00 0.50 C ATOM 1351 O GLY A 87 -24.931 8.937 5.254 1.00 1.05 O ATOM 0 H GLY A 87 -28.827 7.811 4.911 1.00 0.36 H new ATOM 0 HA2 GLY A 87 -26.747 7.479 3.893 1.00 0.43 H new ATOM 0 HA3 GLY A 87 -26.804 9.086 3.195 1.00 0.43 H new ATOM 1355 N GLY A 88 -26.897 9.559 6.213 1.00 0.30 N ATOM 1356 CA GLY A 88 -26.310 10.514 7.136 1.00 0.25 C ATOM 1357 C GLY A 88 -26.986 11.872 7.023 1.00 0.24 C ATOM 1358 O GLY A 88 -27.173 12.473 8.080 1.00 0.36 O ATOM 0 H GLY A 88 -27.873 9.340 6.412 1.00 0.30 H new ATOM 0 HA2 GLY A 88 -26.403 10.142 8.156 1.00 0.25 H new ATOM 0 HA3 GLY A 88 -25.245 10.616 6.929 1.00 0.25 H new ATOM 1362 N LYS A 89 -27.630 12.216 5.884 1.00 0.19 N ATOM 1363 CA LYS A 89 -28.458 13.441 5.870 1.00 0.18 C ATOM 1364 C LYS A 89 -29.815 13.314 6.566 1.00 0.15 C ATOM 1365 O LYS A 89 -30.405 12.276 6.493 1.00 0.16 O ATOM 1366 CB LYS A 89 -28.843 13.842 4.442 1.00 0.22 C ATOM 1367 CG LYS A 89 -27.709 13.979 3.464 1.00 0.26 C ATOM 1368 CD LYS A 89 -28.198 13.859 1.985 1.00 0.60 C ATOM 1369 CE LYS A 89 -27.245 14.383 0.905 1.00 1.62 C ATOM 1370 NZ LYS A 89 -26.030 13.584 1.067 1.00 2.70 N ATOM 0 H LYS A 89 -27.597 11.695 5.008 1.00 0.19 H new ATOM 0 HA LYS A 89 -27.820 14.158 6.386 1.00 0.18 H new ATOM 0 HB2 LYS A 89 -29.542 13.101 4.055 1.00 0.22 H new ATOM 0 HB3 LYS A 89 -29.376 14.792 4.484 1.00 0.22 H new ATOM 0 HG2 LYS A 89 -27.220 14.942 3.608 1.00 0.26 H new ATOM 0 HG3 LYS A 89 -26.963 13.210 3.663 1.00 0.26 H new ATOM 0 HD2 LYS A 89 -28.404 12.809 1.778 1.00 0.60 H new ATOM 0 HD3 LYS A 89 -29.144 14.393 1.894 1.00 0.60 H new ATOM 0 HE2 LYS A 89 -27.670 14.261 -0.091 1.00 1.62 H new ATOM 0 HE3 LYS A 89 -27.041 15.446 1.037 1.00 1.62 H new ATOM 0 HZ1 LYS A 89 -25.453 13.651 0.205 1.00 2.70 H new ATOM 0 HZ2 LYS A 89 -25.485 13.941 1.877 1.00 2.70 H new ATOM 0 HZ3 LYS A 89 -26.288 12.590 1.234 1.00 2.70 H new ATOM 1384 N LEU A 90 -30.375 14.415 7.053 1.00 0.16 N ATOM 1385 CA LEU A 90 -31.670 14.371 7.772 1.00 0.15 C ATOM 1386 C LEU A 90 -32.756 15.175 6.960 1.00 0.15 C ATOM 1387 O LEU A 90 -32.425 16.299 6.518 1.00 0.19 O ATOM 1388 CB LEU A 90 -31.497 15.051 9.144 1.00 0.18 C ATOM 1389 CG LEU A 90 -31.085 14.088 10.284 1.00 0.19 C ATOM 1390 CD1 LEU A 90 -30.570 14.865 11.457 1.00 0.23 C ATOM 1391 CD2 LEU A 90 -32.259 13.229 10.702 1.00 0.18 C ATOM 0 H LEU A 90 -29.968 15.347 6.971 1.00 0.16 H new ATOM 0 HA LEU A 90 -31.984 13.334 7.888 1.00 0.15 H new ATOM 0 HB2 LEU A 90 -30.744 15.834 9.056 1.00 0.18 H new ATOM 0 HB3 LEU A 90 -32.434 15.538 9.416 1.00 0.18 H new ATOM 0 HG LEU A 90 -30.292 13.437 9.917 1.00 0.19 H new ATOM 0 HD11 LEU A 90 -30.284 14.177 12.252 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -29.702 15.450 11.153 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -31.349 15.535 11.820 1.00 0.23 H new ATOM 0 HD21 LEU A 90 -31.952 12.558 11.504 1.00 0.18 H new ATOM 0 HD22 LEU A 90 -33.070 13.867 11.053 1.00 0.18 H new ATOM 0 HD23 LEU A 90 -32.602 12.642 9.850 1.00 0.18 H new ATOM 1403 N VAL A 91 -33.971 14.685 6.730 1.00 0.15 N ATOM 1404 CA VAL A 91 -34.896 15.196 5.675 1.00 0.16 C ATOM 1405 C VAL A 91 -36.317 15.365 6.062 1.00 0.16 C ATOM 1406 O VAL A 91 -36.885 14.497 6.723 1.00 0.17 O ATOM 1407 CB VAL A 91 -34.751 14.393 4.379 1.00 0.18 C ATOM 1408 CG1 VAL A 91 -34.678 12.889 4.787 1.00 0.23 C ATOM 1409 CG2 VAL A 91 -35.929 14.606 3.389 1.00 0.23 C ATOM 0 H VAL A 91 -34.363 13.912 7.268 1.00 0.15 H new ATOM 0 HA VAL A 91 -34.563 16.221 5.510 1.00 0.16 H new ATOM 0 HB VAL A 91 -33.855 14.729 3.856 1.00 0.18 H new ATOM 0 HG11 VAL A 91 -34.574 12.274 3.893 1.00 0.23 H new ATOM 0 HG12 VAL A 91 -33.819 12.730 5.439 1.00 0.23 H new ATOM 0 HG13 VAL A 91 -35.590 12.610 5.315 1.00 0.23 H new ATOM 0 HG21 VAL A 91 -35.763 14.009 2.492 1.00 0.23 H new ATOM 0 HG22 VAL A 91 -36.862 14.299 3.862 1.00 0.23 H new ATOM 0 HG23 VAL A 91 -35.990 15.660 3.117 1.00 0.23 H new ATOM 1419 N VAL A 92 -37.051 16.421 5.635 1.00 0.16 N ATOM 1420 CA VAL A 92 -38.520 16.376 5.737 1.00 0.17 C ATOM 1421 C VAL A 92 -39.139 16.724 4.415 1.00 0.17 C ATOM 1422 O VAL A 92 -38.494 17.404 3.577 1.00 0.18 O ATOM 1423 CB VAL A 92 -39.052 17.428 6.747 1.00 0.18 C ATOM 1424 CG1 VAL A 92 -38.647 17.006 8.170 1.00 0.56 C ATOM 1425 CG2 VAL A 92 -38.446 18.865 6.546 1.00 0.65 C ATOM 0 H VAL A 92 -36.667 17.277 5.234 1.00 0.16 H new ATOM 0 HA VAL A 92 -38.780 15.367 6.058 1.00 0.17 H new ATOM 0 HB VAL A 92 -40.130 17.469 6.588 1.00 0.18 H new ATOM 0 HG11 VAL A 92 -39.017 17.740 8.886 1.00 0.56 H new ATOM 0 HG12 VAL A 92 -39.076 16.030 8.396 1.00 0.56 H new ATOM 0 HG13 VAL A 92 -37.561 16.949 8.237 1.00 0.56 H new ATOM 0 HG21 VAL A 92 -38.866 19.544 7.288 1.00 0.65 H new ATOM 0 HG22 VAL A 92 -37.363 18.823 6.664 1.00 0.65 H new ATOM 0 HG23 VAL A 92 -38.689 19.226 5.546 1.00 0.65 H new ATOM 1435 N ASN A 93 -40.379 16.253 4.238 1.00 0.20 N ATOM 1436 CA ASN A 93 -41.192 16.341 3.032 1.00 0.21 C ATOM 1437 C ASN A 93 -42.657 16.628 3.422 1.00 0.22 C ATOM 1438 O ASN A 93 -43.347 15.762 3.955 1.00 0.34 O ATOM 1439 CB ASN A 93 -41.051 15.020 2.248 1.00 0.30 C ATOM 1440 CG ASN A 93 -39.632 14.728 1.787 1.00 1.07 C ATOM 1441 OD1 ASN A 93 -38.963 15.570 1.213 1.00 1.89 O ATOM 1442 ND2 ASN A 93 -39.114 13.539 1.992 1.00 1.06 N ATOM 0 H ASN A 93 -40.869 15.768 4.989 1.00 0.20 H new ATOM 0 HA ASN A 93 -40.857 17.158 2.393 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -41.396 14.198 2.875 1.00 0.30 H new ATOM 0 HB3 ASN A 93 -41.706 15.053 1.378 1.00 0.30 H new ATOM 0 HD21 ASN A 93 -38.167 13.333 1.673 1.00 1.06 H new ATOM 0 HD22 ASN A 93 -39.658 12.821 2.471 1.00 1.06 H new ATOM 1449 N PHE A 94 -43.053 17.893 3.307 1.00 0.17 N ATOM 1450 CA PHE A 94 -44.315 18.434 3.617 1.00 0.19 C ATOM 1451 C PHE A 94 -44.980 18.867 2.255 1.00 0.22 C ATOM 1452 O PHE A 94 -44.313 18.846 1.209 1.00 0.26 O ATOM 1453 CB PHE A 94 -44.204 19.711 4.510 1.00 0.20 C ATOM 1454 CG PHE A 94 -43.863 19.376 5.950 1.00 0.19 C ATOM 1455 CD1 PHE A 94 -42.454 19.251 6.281 1.00 0.17 C ATOM 1456 CD2 PHE A 94 -44.859 19.444 6.912 1.00 0.21 C ATOM 1457 CE1 PHE A 94 -42.154 19.150 7.661 1.00 0.17 C ATOM 1458 CE2 PHE A 94 -44.511 19.315 8.282 1.00 0.21 C ATOM 1459 CZ PHE A 94 -43.138 19.268 8.612 1.00 0.20 C ATOM 0 H PHE A 94 -42.416 18.609 2.959 1.00 0.17 H new ATOM 0 HA PHE A 94 -44.892 17.685 4.159 1.00 0.19 H new ATOM 0 HB2 PHE A 94 -43.440 20.372 4.102 1.00 0.20 H new ATOM 0 HB3 PHE A 94 -45.147 20.257 4.479 1.00 0.20 H new ATOM 0 HD1 PHE A 94 -41.685 19.236 5.523 1.00 0.17 H new ATOM 0 HD2 PHE A 94 -45.889 19.594 6.622 1.00 0.21 H new ATOM 0 HE1 PHE A 94 -41.134 18.977 7.971 1.00 0.17 H new ATOM 0 HE2 PHE A 94 -45.271 19.255 9.047 1.00 0.21 H new ATOM 0 HZ PHE A 94 -42.851 19.327 9.652 1.00 0.20 H new ATOM 1469 N PRO A 95 -46.231 19.328 2.264 1.00 0.25 N ATOM 1470 CA PRO A 95 -46.908 19.484 0.962 1.00 0.29 C ATOM 1471 C PRO A 95 -46.433 20.699 0.158 1.00 0.30 C ATOM 1472 O PRO A 95 -46.398 20.535 -1.092 1.00 0.46 O ATOM 1473 CB PRO A 95 -48.436 19.697 1.305 1.00 0.38 C ATOM 1474 CG PRO A 95 -48.612 19.069 2.758 1.00 0.44 C ATOM 1475 CD PRO A 95 -47.210 19.049 3.377 1.00 0.32 C ATOM 0 HA PRO A 95 -46.697 18.608 0.349 1.00 0.29 H new ATOM 0 HB2 PRO A 95 -48.701 20.754 1.295 1.00 0.38 H new ATOM 0 HB3 PRO A 95 -49.079 19.201 0.578 1.00 0.38 H new ATOM 0 HG2 PRO A 95 -49.297 19.665 3.361 1.00 0.44 H new ATOM 0 HG3 PRO A 95 -49.029 18.063 2.702 1.00 0.44 H new ATOM 0 HD2 PRO A 95 -47.125 19.800 4.162 1.00 0.32 H new ATOM 0 HD3 PRO A 95 -47.005 18.082 3.837 1.00 0.32 H new ATOM 1483 N ASN A 96 -45.969 21.859 0.727 1.00 0.33 N ATOM 1484 CA ASN A 96 -45.074 22.754 -0.012 1.00 0.45 C ATOM 1485 C ASN A 96 -43.768 23.007 0.712 1.00 0.50 C ATOM 1486 O ASN A 96 -43.123 24.030 0.464 1.00 0.90 O ATOM 1487 CB ASN A 96 -45.871 24.090 -0.193 1.00 0.63 C ATOM 1488 CG ASN A 96 -46.925 23.989 -1.281 1.00 0.86 C ATOM 1489 OD1 ASN A 96 -46.649 23.844 -2.474 1.00 1.89 O ATOM 1490 ND2 ASN A 96 -48.207 24.034 -0.857 1.00 0.77 N ATOM 0 H ASN A 96 -46.204 22.172 1.669 1.00 0.33 H new ATOM 0 HA ASN A 96 -44.791 22.304 -0.964 1.00 0.45 H new ATOM 0 HB2 ASN A 96 -46.349 24.356 0.750 1.00 0.63 H new ATOM 0 HB3 ASN A 96 -45.177 24.895 -0.436 1.00 0.63 H new ATOM 0 HD21 ASN A 96 -48.970 23.947 -1.529 1.00 0.77 H new ATOM 0 HD22 ASN A 96 -48.412 24.155 0.135 1.00 0.77 H new ATOM 1497 N TYR A 97 -43.320 22.127 1.603 1.00 0.26 N ATOM 1498 CA TYR A 97 -42.087 22.363 2.357 1.00 0.23 C ATOM 1499 C TYR A 97 -41.139 21.168 2.483 1.00 0.20 C ATOM 1500 O TYR A 97 -41.583 20.066 2.757 1.00 0.22 O ATOM 1501 CB TYR A 97 -42.313 23.100 3.634 1.00 0.00 C ATOM 1502 CG TYR A 97 -40.974 23.558 4.163 1.00 0.00 C ATOM 1503 CD1 TYR A 97 -40.352 24.684 3.612 1.00 0.00 C ATOM 1504 CD2 TYR A 97 -40.356 22.856 5.204 1.00 0.00 C ATOM 1505 CE1 TYR A 97 -39.111 25.109 4.102 1.00 0.00 C ATOM 1506 CE2 TYR A 97 -39.116 23.280 5.695 1.00 0.00 C ATOM 1507 CZ TYR A 97 -38.494 24.407 5.144 1.00 0.00 C ATOM 1508 OH TYR A 97 -37.288 24.819 5.620 1.00 0.00 O ATOM 0 H TYR A 97 -43.788 21.247 1.822 1.00 0.26 H new ATOM 0 HA TYR A 97 -41.521 23.040 1.717 1.00 0.23 H new ATOM 0 HB2 TYR A 97 -42.968 23.955 3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -42.808 22.456 4.361 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -40.829 25.225 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -40.836 21.987 5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -38.630 25.978 3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -38.639 22.738 6.498 1.00 0.00 H new ATOM 0 HH TYR A 97 -36.857 25.400 4.959 1.00 0.00 H new ATOM 1518 N HIS A 98 -39.848 21.371 2.286 1.00 0.18 N ATOM 1519 CA HIS A 98 -38.857 20.315 2.311 1.00 0.18 C ATOM 1520 C HIS A 98 -37.555 20.877 2.860 1.00 0.19 C ATOM 1521 O HIS A 98 -37.172 21.981 2.498 1.00 0.18 O ATOM 1522 CB HIS A 98 -38.748 19.747 0.882 1.00 0.21 C ATOM 1523 CG HIS A 98 -37.504 18.951 0.596 1.00 0.25 C ATOM 1524 ND1 HIS A 98 -37.159 17.753 1.190 1.00 0.31 N ATOM 1525 CD2 HIS A 98 -36.578 19.223 -0.369 1.00 0.27 C ATOM 1526 CE1 HIS A 98 -36.004 17.332 0.639 1.00 0.36 C ATOM 1527 NE2 HIS A 98 -35.640 18.210 -0.320 1.00 0.34 N ATOM 0 H HIS A 98 -39.454 22.293 2.101 1.00 0.18 H new ATOM 0 HA HIS A 98 -39.131 19.491 2.969 1.00 0.18 H new ATOM 0 HB2 HIS A 98 -39.615 19.114 0.694 1.00 0.21 H new ATOM 0 HB3 HIS A 98 -38.799 20.575 0.175 1.00 0.21 H new ATOM 0 HD1 HIS A 98 -37.686 17.271 1.918 1.00 0.31 H new ATOM 0 HD2 HIS A 98 -36.578 20.068 -1.042 1.00 0.27 H new ATOM 0 HE1 HIS A 98 -35.460 16.441 0.918 1.00 0.36 H new ATOM 1535 N GLN A 99 -36.747 20.041 3.494 1.00 0.22 N ATOM 1536 CA GLN A 99 -35.308 20.272 3.463 1.00 0.29 C ATOM 1537 C GLN A 99 -34.534 18.988 3.597 1.00 0.20 C ATOM 1538 O GLN A 99 -35.118 17.924 3.824 1.00 0.26 O ATOM 1539 CB GLN A 99 -34.858 21.286 4.522 1.00 0.55 C ATOM 1540 CG GLN A 99 -34.628 20.770 5.938 1.00 0.55 C ATOM 1541 CD GLN A 99 -34.016 21.903 6.744 1.00 0.64 C ATOM 1542 OE1 GLN A 99 -34.565 22.983 6.810 1.00 1.48 O ATOM 1543 NE2 GLN A 99 -32.896 21.711 7.398 1.00 0.42 N ATOM 0 H GLN A 99 -37.048 19.221 4.021 1.00 0.22 H new ATOM 0 HA GLN A 99 -35.089 20.700 2.485 1.00 0.29 H new ATOM 0 HB2 GLN A 99 -33.931 21.744 4.176 1.00 0.55 H new ATOM 0 HB3 GLN A 99 -35.606 22.077 4.570 1.00 0.55 H new ATOM 0 HG2 GLN A 99 -35.568 20.446 6.385 1.00 0.55 H new ATOM 0 HG3 GLN A 99 -33.965 19.905 5.928 1.00 0.55 H new ATOM 0 HE21 GLN A 99 -32.426 20.807 7.350 1.00 0.42 H new ATOM 0 HE22 GLN A 99 -32.495 22.465 7.955 1.00 0.42 H new ATOM 1552 N THR A 100 -33.235 19.101 3.396 1.00 0.22 N ATOM 1553 CA THR A 100 -32.228 18.071 3.583 1.00 0.21 C ATOM 1554 C THR A 100 -31.046 18.712 4.312 1.00 0.24 C ATOM 1555 O THR A 100 -30.691 19.840 3.999 1.00 0.40 O ATOM 1556 CB THR A 100 -31.806 17.525 2.211 1.00 0.22 C ATOM 1557 OG1 THR A 100 -32.880 16.976 1.473 1.00 0.26 O ATOM 1558 CG2 THR A 100 -30.775 16.415 2.304 1.00 0.21 C ATOM 0 H THR A 100 -32.825 19.978 3.075 1.00 0.22 H new ATOM 0 HA THR A 100 -32.610 17.237 4.172 1.00 0.21 H new ATOM 0 HB THR A 100 -31.397 18.404 1.713 1.00 0.22 H new ATOM 0 HG1 THR A 100 -32.550 16.647 0.611 1.00 0.26 H new ATOM 0 HG21 THR A 100 -30.518 16.072 1.302 1.00 0.21 H new ATOM 0 HG22 THR A 100 -29.880 16.791 2.799 1.00 0.21 H new ATOM 0 HG23 THR A 100 -31.186 15.584 2.878 1.00 0.21 H new ATOM 1566 N SER A 101 -30.410 18.045 5.270 1.00 0.21 N ATOM 1567 CA SER A 101 -29.321 18.650 6.064 1.00 0.27 C ATOM 1568 C SER A 101 -28.074 17.778 6.109 1.00 0.27 C ATOM 1569 O SER A 101 -28.225 16.568 6.258 1.00 0.46 O ATOM 1570 CB SER A 101 -29.806 18.891 7.483 1.00 0.42 C ATOM 1571 OG SER A 101 -30.768 19.912 7.545 1.00 1.24 O ATOM 0 H SER A 101 -30.624 17.080 5.524 1.00 0.21 H new ATOM 0 HA SER A 101 -29.051 19.588 5.579 1.00 0.27 H new ATOM 0 HB2 SER A 101 -30.229 17.970 7.883 1.00 0.42 H new ATOM 0 HB3 SER A 101 -28.958 19.153 8.116 1.00 0.42 H new ATOM 0 HG SER A 101 -31.193 19.908 8.428 1.00 1.24 H new ATOM 1577 N GLU A 102 -26.863 18.349 6.055 1.00 0.22 N ATOM 1578 CA GLU A 102 -25.640 17.565 5.767 1.00 0.27 C ATOM 1579 C GLU A 102 -24.297 18.094 6.409 1.00 0.20 C ATOM 1580 O GLU A 102 -24.097 19.264 6.616 1.00 0.20 O ATOM 1581 CB GLU A 102 -25.478 17.451 4.179 1.00 0.43 C ATOM 1582 CG GLU A 102 -24.293 16.614 3.685 1.00 0.81 C ATOM 1583 CD GLU A 102 -24.176 15.200 4.132 1.00 1.25 C ATOM 1584 OE1 GLU A 102 -24.065 14.934 5.373 1.00 1.67 O ATOM 1585 OE2 GLU A 102 -24.203 14.277 3.300 1.00 1.55 O ATOM 0 H GLU A 102 -26.698 19.344 6.205 1.00 0.22 H new ATOM 0 HA GLU A 102 -25.793 16.597 6.245 1.00 0.27 H new ATOM 0 HB2 GLU A 102 -26.394 17.025 3.769 1.00 0.43 H new ATOM 0 HB3 GLU A 102 -25.383 18.457 3.770 1.00 0.43 H new ATOM 0 HG2 GLU A 102 -24.321 16.614 2.595 1.00 0.81 H new ATOM 0 HG3 GLU A 102 -23.379 17.130 3.980 1.00 0.81 H new ATOM 1592 N ILE A 103 -23.292 17.215 6.665 1.00 0.19 N ATOM 1593 CA ILE A 103 -22.001 17.558 7.254 1.00 0.21 C ATOM 1594 C ILE A 103 -20.883 17.287 6.295 1.00 0.26 C ATOM 1595 O ILE A 103 -20.691 16.141 5.926 1.00 0.28 O ATOM 1596 CB ILE A 103 -21.818 16.919 8.678 1.00 0.23 C ATOM 1597 CG1 ILE A 103 -20.490 17.170 9.247 1.00 0.22 C ATOM 1598 CG2 ILE A 103 -22.149 15.417 8.497 1.00 0.27 C ATOM 1599 CD1 ILE A 103 -20.414 17.015 10.814 1.00 0.21 C ATOM 0 H ILE A 103 -23.376 16.220 6.455 1.00 0.19 H new ATOM 0 HA ILE A 103 -21.973 18.633 7.434 1.00 0.21 H new ATOM 0 HB ILE A 103 -22.484 17.373 9.412 1.00 0.23 H new ATOM 0 HG12 ILE A 103 -19.777 16.483 8.791 1.00 0.22 H new ATOM 0 HG13 ILE A 103 -20.178 18.179 8.978 1.00 0.22 H new ATOM 0 HG21 ILE A 103 -22.043 14.903 9.452 1.00 0.27 H new ATOM 0 HG22 ILE A 103 -23.173 15.311 8.140 1.00 0.27 H new ATOM 0 HG23 ILE A 103 -21.464 14.978 7.771 1.00 0.27 H new ATOM 0 HD11 ILE A 103 -19.397 17.218 11.151 1.00 0.21 H new ATOM 0 HD12 ILE A 103 -21.099 17.721 11.283 1.00 0.21 H new ATOM 0 HD13 ILE A 103 -20.693 15.999 11.093 1.00 0.21 H new ATOM 1611 N VAL A 104 -20.183 18.339 5.846 1.00 0.32 N ATOM 1612 CA VAL A 104 -19.221 18.149 4.693 1.00 0.41 C ATOM 1613 C VAL A 104 -17.878 18.693 5.170 1.00 0.48 C ATOM 1614 O VAL A 104 -17.707 19.894 5.562 1.00 0.47 O ATOM 1615 CB VAL A 104 -19.774 18.883 3.519 1.00 0.47 C ATOM 1616 CG1 VAL A 104 -18.780 18.900 2.414 1.00 0.60 C ATOM 1617 CG2 VAL A 104 -21.105 18.388 3.041 1.00 0.45 C ATOM 0 H VAL A 104 -20.240 19.286 6.221 1.00 0.32 H new ATOM 0 HA VAL A 104 -19.087 17.111 4.387 1.00 0.41 H new ATOM 0 HB VAL A 104 -19.964 19.900 3.864 1.00 0.47 H new ATOM 0 HG11 VAL A 104 -19.193 19.438 1.561 1.00 0.60 H new ATOM 0 HG12 VAL A 104 -17.870 19.397 2.751 1.00 0.60 H new ATOM 0 HG13 VAL A 104 -18.547 17.877 2.119 1.00 0.60 H new ATOM 0 HG21 VAL A 104 -21.428 18.981 2.185 1.00 0.45 H new ATOM 0 HG22 VAL A 104 -21.020 17.342 2.746 1.00 0.45 H new ATOM 0 HG23 VAL A 104 -21.837 18.481 3.843 1.00 0.45 H new ATOM 1627 N GLY A 105 -16.935 17.773 5.300 1.00 0.56 N ATOM 1628 CA GLY A 105 -15.628 18.107 5.886 1.00 0.63 C ATOM 1629 C GLY A 105 -15.721 18.402 7.409 1.00 0.59 C ATOM 1630 O GLY A 105 -15.878 17.486 8.223 1.00 0.68 O ATOM 0 H GLY A 105 -17.039 16.799 5.015 1.00 0.56 H new ATOM 0 HA2 GLY A 105 -14.936 17.281 5.720 1.00 0.63 H new ATOM 0 HA3 GLY A 105 -15.215 18.976 5.375 1.00 0.63 H new ATOM 1634 N ASP A 106 -15.589 19.714 7.800 1.00 0.52 N ATOM 1635 CA ASP A 106 -15.745 20.223 9.107 1.00 0.50 C ATOM 1636 C ASP A 106 -16.870 21.221 9.224 1.00 0.40 C ATOM 1637 O ASP A 106 -17.113 21.748 10.308 1.00 0.44 O ATOM 1638 CB ASP A 106 -14.445 20.964 9.528 1.00 0.58 C ATOM 1639 CG ASP A 106 -13.267 20.006 9.514 1.00 1.53 C ATOM 1640 OD1 ASP A 106 -13.233 18.975 10.258 1.00 2.11 O ATOM 1641 OD2 ASP A 106 -12.292 20.283 8.796 1.00 2.30 O ATOM 0 H ASP A 106 -15.356 20.447 7.130 1.00 0.52 H new ATOM 0 HA ASP A 106 -15.966 19.366 9.743 1.00 0.50 H new ATOM 0 HB2 ASP A 106 -14.255 21.795 8.849 1.00 0.58 H new ATOM 0 HB3 ASP A 106 -14.566 21.388 10.525 1.00 0.58 H new ATOM 1646 N LYS A 107 -17.444 21.579 8.068 1.00 0.32 N ATOM 1647 CA LYS A 107 -18.472 22.589 7.857 1.00 0.25 C ATOM 1648 C LYS A 107 -19.825 21.909 7.683 1.00 0.23 C ATOM 1649 O LYS A 107 -19.933 20.716 7.409 1.00 0.30 O ATOM 1650 CB LYS A 107 -18.138 23.457 6.629 1.00 0.28 C ATOM 1651 CG LYS A 107 -16.706 24.022 6.598 1.00 0.47 C ATOM 1652 CD LYS A 107 -16.332 24.839 7.844 1.00 1.21 C ATOM 1653 CE LYS A 107 -14.885 25.324 7.691 1.00 1.65 C ATOM 1654 NZ LYS A 107 -14.417 26.074 8.882 1.00 2.27 N ATOM 0 H LYS A 107 -17.176 21.131 7.192 1.00 0.32 H new ATOM 0 HA LYS A 107 -18.512 23.243 8.728 1.00 0.25 H new ATOM 0 HB2 LYS A 107 -18.297 22.862 5.729 1.00 0.28 H new ATOM 0 HB3 LYS A 107 -18.841 24.289 6.590 1.00 0.28 H new ATOM 0 HG2 LYS A 107 -16.002 23.196 6.492 1.00 0.47 H new ATOM 0 HG3 LYS A 107 -16.593 24.652 5.715 1.00 0.47 H new ATOM 0 HD2 LYS A 107 -17.006 25.688 7.957 1.00 1.21 H new ATOM 0 HD3 LYS A 107 -16.434 24.229 8.742 1.00 1.21 H new ATOM 0 HE2 LYS A 107 -14.232 24.467 7.524 1.00 1.65 H new ATOM 0 HE3 LYS A 107 -14.808 25.961 6.809 1.00 1.65 H new ATOM 0 HZ1 LYS A 107 -13.435 26.382 8.734 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 -15.023 26.907 9.028 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 -14.465 25.460 9.720 1.00 2.27 H new ATOM 1668 N LEU A 108 -20.859 22.665 7.996 1.00 0.20 N ATOM 1669 CA LEU A 108 -22.184 22.158 8.286 1.00 0.19 C ATOM 1670 C LEU A 108 -23.185 22.918 7.440 1.00 0.20 C ATOM 1671 O LEU A 108 -23.246 24.140 7.549 1.00 0.24 O ATOM 1672 CB LEU A 108 -22.445 22.387 9.781 1.00 0.22 C ATOM 1673 CG LEU A 108 -22.129 21.198 10.701 1.00 0.29 C ATOM 1674 CD1 LEU A 108 -22.802 19.911 10.244 1.00 0.57 C ATOM 1675 CD2 LEU A 108 -20.629 20.925 10.835 1.00 0.60 C ATOM 0 H LEU A 108 -20.797 23.681 8.057 1.00 0.20 H new ATOM 0 HA LEU A 108 -22.273 21.096 8.057 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -21.854 23.243 10.108 1.00 0.22 H new ATOM 0 HB3 LEU A 108 -23.493 22.655 9.911 1.00 0.22 H new ATOM 0 HG LEU A 108 -22.526 21.497 11.671 1.00 0.29 H new ATOM 0 HD11 LEU A 108 -22.545 19.103 10.929 1.00 0.57 H new ATOM 0 HD12 LEU A 108 -23.883 20.049 10.235 1.00 0.57 H new ATOM 0 HD13 LEU A 108 -22.460 19.658 9.240 1.00 0.57 H new ATOM 0 HD21 LEU A 108 -20.472 20.074 11.497 1.00 0.60 H new ATOM 0 HD22 LEU A 108 -20.210 20.703 9.853 1.00 0.60 H new ATOM 0 HD23 LEU A 108 -20.135 21.804 11.250 1.00 0.60 H new ATOM 1687 N VAL A 109 -23.861 22.217 6.536 1.00 0.20 N ATOM 1688 CA VAL A 109 -24.451 22.766 5.388 1.00 0.22 C ATOM 1689 C VAL A 109 -25.895 22.205 5.240 1.00 0.22 C ATOM 1690 O VAL A 109 -26.158 21.024 5.418 1.00 0.29 O ATOM 1691 CB VAL A 109 -23.545 22.455 4.224 1.00 0.26 C ATOM 1692 CG1 VAL A 109 -23.706 21.049 3.710 1.00 0.80 C ATOM 1693 CG2 VAL A 109 -23.843 23.443 3.154 1.00 0.87 C ATOM 0 H VAL A 109 -24.001 21.210 6.615 1.00 0.20 H new ATOM 0 HA VAL A 109 -24.557 23.849 5.443 1.00 0.22 H new ATOM 0 HB VAL A 109 -22.509 22.527 4.554 1.00 0.26 H new ATOM 0 HG11 VAL A 109 -23.027 20.888 2.873 1.00 0.80 H new ATOM 0 HG12 VAL A 109 -23.475 20.342 4.506 1.00 0.80 H new ATOM 0 HG13 VAL A 109 -24.733 20.898 3.378 1.00 0.80 H new ATOM 0 HG21 VAL A 109 -23.205 23.249 2.292 1.00 0.87 H new ATOM 0 HG22 VAL A 109 -24.888 23.355 2.858 1.00 0.87 H new ATOM 0 HG23 VAL A 109 -23.655 24.450 3.526 1.00 0.87 H new ATOM 1703 N GLU A 110 -26.819 23.011 4.753 1.00 0.22 N ATOM 1704 CA GLU A 110 -28.191 22.575 4.482 1.00 0.25 C ATOM 1705 C GLU A 110 -28.656 23.007 3.096 1.00 0.28 C ATOM 1706 O GLU A 110 -28.002 23.812 2.441 1.00 0.52 O ATOM 1707 CB GLU A 110 -29.064 22.990 5.678 1.00 0.38 C ATOM 1708 CG GLU A 110 -30.455 23.575 5.438 1.00 0.52 C ATOM 1709 CD GLU A 110 -30.397 24.958 4.787 1.00 1.43 C ATOM 1710 OE1 GLU A 110 -29.576 25.808 5.191 1.00 2.07 O ATOM 1711 OE2 GLU A 110 -31.223 25.164 3.872 1.00 2.06 O ATOM 0 H GLU A 110 -26.647 23.991 4.531 1.00 0.22 H new ATOM 0 HA GLU A 110 -28.272 21.490 4.414 1.00 0.25 H new ATOM 0 HB2 GLU A 110 -29.186 22.111 6.311 1.00 0.38 H new ATOM 0 HB3 GLU A 110 -28.499 23.722 6.254 1.00 0.38 H new ATOM 0 HG2 GLU A 110 -31.026 22.899 4.801 1.00 0.52 H new ATOM 0 HG3 GLU A 110 -30.987 23.644 6.387 1.00 0.52 H new ATOM 1718 N VAL A 111 -29.707 22.356 2.603 1.00 0.23 N ATOM 1719 CA VAL A 111 -30.424 22.772 1.399 1.00 0.21 C ATOM 1720 C VAL A 111 -31.917 22.536 1.601 1.00 0.20 C ATOM 1721 O VAL A 111 -32.379 21.386 1.628 1.00 0.24 O ATOM 1722 CB VAL A 111 -29.818 22.117 0.139 1.00 0.24 C ATOM 1723 CG1 VAL A 111 -29.902 20.583 0.083 1.00 0.27 C ATOM 1724 CG2 VAL A 111 -30.461 22.691 -1.125 1.00 0.25 C ATOM 0 H VAL A 111 -30.090 21.514 3.033 1.00 0.23 H new ATOM 0 HA VAL A 111 -30.305 23.842 1.226 1.00 0.21 H new ATOM 0 HB VAL A 111 -28.757 22.360 0.196 1.00 0.24 H new ATOM 0 HG11 VAL A 111 -29.448 20.227 -0.842 1.00 0.27 H new ATOM 0 HG12 VAL A 111 -29.371 20.158 0.935 1.00 0.27 H new ATOM 0 HG13 VAL A 111 -30.947 20.274 0.116 1.00 0.27 H new ATOM 0 HG21 VAL A 111 -30.022 22.218 -2.003 1.00 0.25 H new ATOM 0 HG22 VAL A 111 -31.534 22.498 -1.107 1.00 0.25 H new ATOM 0 HG23 VAL A 111 -30.286 23.766 -1.166 1.00 0.25 H new ATOM 1734 N SER A 112 -32.654 23.601 1.933 1.00 0.19 N ATOM 1735 CA SER A 112 -34.042 23.526 2.154 1.00 0.20 C ATOM 1736 C SER A 112 -34.779 24.021 0.917 1.00 0.17 C ATOM 1737 O SER A 112 -34.129 24.500 -0.019 1.00 0.17 O ATOM 1738 CB SER A 112 -34.496 24.495 3.283 1.00 0.27 C ATOM 1739 OG SER A 112 -33.568 24.238 4.379 1.00 0.87 O ATOM 0 H SER A 112 -32.267 24.538 2.049 1.00 0.19 H new ATOM 0 HA SER A 112 -34.260 22.488 2.407 1.00 0.20 H new ATOM 0 HB2 SER A 112 -34.448 25.534 2.957 1.00 0.27 H new ATOM 0 HB3 SER A 112 -35.526 24.302 3.582 1.00 0.27 H new ATOM 0 HG SER A 112 -32.848 24.903 4.361 1.00 0.87 H new ATOM 1745 N THR A 113 -36.096 23.881 0.891 1.00 0.17 N ATOM 1746 CA THR A 113 -37.010 24.238 -0.185 1.00 0.15 C ATOM 1747 C THR A 113 -38.395 24.567 0.362 1.00 0.13 C ATOM 1748 O THR A 113 -38.939 23.772 1.124 1.00 0.14 O ATOM 1749 CB THR A 113 -37.099 23.166 -1.282 1.00 0.19 C ATOM 1750 OG1 THR A 113 -35.858 22.554 -1.553 1.00 0.26 O ATOM 1751 CG2 THR A 113 -37.637 23.706 -2.604 1.00 0.17 C ATOM 0 H THR A 113 -36.594 23.482 1.687 1.00 0.17 H new ATOM 0 HA THR A 113 -36.595 25.129 -0.655 1.00 0.15 H new ATOM 0 HB THR A 113 -37.794 22.433 -0.873 1.00 0.19 H new ATOM 0 HG1 THR A 113 -35.972 21.881 -2.256 1.00 0.26 H new ATOM 0 HG21 THR A 113 -37.676 22.900 -3.337 1.00 0.17 H new ATOM 0 HG22 THR A 113 -38.639 24.107 -2.452 1.00 0.17 H new ATOM 0 HG23 THR A 113 -36.981 24.497 -2.968 1.00 0.17 H new ATOM 1759 N ILE A 114 -39.009 25.694 -0.009 1.00 0.12 N ATOM 1760 CA ILE A 114 -40.424 26.020 0.296 1.00 0.12 C ATOM 1761 C ILE A 114 -41.087 26.427 -1.003 1.00 0.14 C ATOM 1762 O ILE A 114 -40.500 27.236 -1.715 1.00 0.15 O ATOM 1763 CB ILE A 114 -40.549 27.162 1.344 1.00 0.14 C ATOM 1764 CG1 ILE A 114 -41.990 27.328 1.924 1.00 0.17 C ATOM 1765 CG2 ILE A 114 -39.948 28.500 0.916 1.00 0.16 C ATOM 1766 CD1 ILE A 114 -43.158 27.684 0.992 1.00 0.27 C ATOM 0 H ILE A 114 -38.536 26.425 -0.540 1.00 0.12 H new ATOM 0 HA ILE A 114 -40.910 25.146 0.730 1.00 0.12 H new ATOM 0 HB ILE A 114 -39.919 26.814 2.163 1.00 0.14 H new ATOM 0 HG12 ILE A 114 -42.248 26.394 2.424 1.00 0.17 H new ATOM 0 HG13 ILE A 114 -41.943 28.099 2.693 1.00 0.17 H new ATOM 0 HG21 ILE A 114 -40.085 29.232 1.712 1.00 0.16 H new ATOM 0 HG22 ILE A 114 -38.884 28.374 0.718 1.00 0.16 H new ATOM 0 HG23 ILE A 114 -40.447 28.850 0.012 1.00 0.16 H new ATOM 0 HD11 ILE A 114 -44.078 27.757 1.573 1.00 0.27 H new ATOM 0 HD12 ILE A 114 -42.958 28.640 0.507 1.00 0.27 H new ATOM 0 HD13 ILE A 114 -43.268 26.909 0.234 1.00 0.27 H new ATOM 1778 N GLY A 115 -42.236 25.854 -1.389 1.00 0.16 N ATOM 1779 CA GLY A 115 -42.843 26.393 -2.636 1.00 0.19 C ATOM 1780 C GLY A 115 -42.075 26.347 -3.923 1.00 0.21 C ATOM 1781 O GLY A 115 -42.366 27.083 -4.863 1.00 0.29 O ATOM 0 H GLY A 115 -42.731 25.095 -0.920 1.00 0.16 H new ATOM 0 HA2 GLY A 115 -43.780 25.859 -2.798 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -43.099 27.436 -2.448 1.00 0.19 H new ATOM 1785 N GLY A 116 -41.001 25.488 -4.013 1.00 0.17 N ATOM 1786 CA GLY A 116 -40.063 25.462 -5.074 1.00 0.19 C ATOM 1787 C GLY A 116 -38.961 26.538 -5.017 1.00 0.18 C ATOM 1788 O GLY A 116 -38.424 26.720 -6.053 1.00 0.21 O ATOM 0 H GLY A 116 -40.804 24.790 -3.296 1.00 0.17 H new ATOM 0 HA2 GLY A 116 -39.587 24.481 -5.090 1.00 0.19 H new ATOM 0 HA3 GLY A 116 -40.603 25.570 -6.015 1.00 0.19 H new ATOM 1792 N VAL A 117 -38.694 27.114 -3.844 1.00 0.15 N ATOM 1793 CA VAL A 117 -37.660 28.099 -3.713 1.00 0.15 C ATOM 1794 C VAL A 117 -36.586 27.632 -2.685 1.00 0.14 C ATOM 1795 O VAL A 117 -37.000 27.141 -1.649 1.00 0.17 O ATOM 1796 CB VAL A 117 -38.223 29.573 -3.494 1.00 0.14 C ATOM 1797 CG1 VAL A 117 -38.287 29.978 -2.053 1.00 0.14 C ATOM 1798 CG2 VAL A 117 -37.225 30.567 -4.211 1.00 0.16 C ATOM 0 H VAL A 117 -39.190 26.904 -2.978 1.00 0.15 H new ATOM 0 HA VAL A 117 -37.139 28.182 -4.667 1.00 0.15 H new ATOM 0 HB VAL A 117 -39.237 29.601 -3.893 1.00 0.14 H new ATOM 0 HG11 VAL A 117 -38.679 30.992 -1.977 1.00 0.14 H new ATOM 0 HG12 VAL A 117 -38.941 29.294 -1.512 1.00 0.14 H new ATOM 0 HG13 VAL A 117 -37.287 29.942 -1.620 1.00 0.14 H new ATOM 0 HG21 VAL A 117 -37.577 31.591 -4.084 1.00 0.16 H new ATOM 0 HG22 VAL A 117 -36.233 30.467 -3.771 1.00 0.16 H new ATOM 0 HG23 VAL A 117 -37.176 30.330 -5.274 1.00 0.16 H new ATOM 1808 N THR A 118 -35.308 27.726 -3.046 1.00 0.13 N ATOM 1809 CA THR A 118 -34.157 27.249 -2.269 1.00 0.14 C ATOM 1810 C THR A 118 -33.651 28.180 -1.171 1.00 0.18 C ATOM 1811 O THR A 118 -33.509 29.381 -1.384 1.00 0.26 O ATOM 1812 CB THR A 118 -32.992 26.766 -3.159 1.00 0.20 C ATOM 1813 OG1 THR A 118 -33.440 26.398 -4.445 1.00 0.26 O ATOM 1814 CG2 THR A 118 -32.246 25.562 -2.589 1.00 0.27 C ATOM 0 H THR A 118 -35.030 28.156 -3.928 1.00 0.13 H new ATOM 0 HA THR A 118 -34.573 26.393 -1.738 1.00 0.14 H new ATOM 0 HB THR A 118 -32.316 27.620 -3.203 1.00 0.20 H new ATOM 0 HG1 THR A 118 -32.678 26.099 -4.984 1.00 0.26 H new ATOM 0 HG21 THR A 118 -31.441 25.278 -3.267 1.00 0.27 H new ATOM 0 HG22 THR A 118 -31.827 25.821 -1.617 1.00 0.27 H new ATOM 0 HG23 THR A 118 -32.937 24.726 -2.476 1.00 0.27 H new ATOM 1822 N TYR A 119 -33.190 27.595 -0.078 1.00 0.18 N ATOM 1823 CA TYR A 119 -32.393 28.189 0.997 1.00 0.24 C ATOM 1824 C TYR A 119 -31.235 27.242 1.347 1.00 0.23 C ATOM 1825 O TYR A 119 -31.439 26.051 1.103 1.00 0.29 O ATOM 1826 CB TYR A 119 -33.346 28.524 2.152 1.00 0.43 C ATOM 1827 CG TYR A 119 -32.722 28.940 3.463 1.00 0.31 C ATOM 1828 CD1 TYR A 119 -32.444 30.294 3.708 1.00 0.27 C ATOM 1829 CD2 TYR A 119 -32.513 27.988 4.475 1.00 0.44 C ATOM 1830 CE1 TYR A 119 -31.901 30.676 4.946 1.00 0.33 C ATOM 1831 CE2 TYR A 119 -31.987 28.368 5.720 1.00 0.51 C ATOM 1832 CZ TYR A 119 -31.672 29.722 5.953 1.00 0.44 C ATOM 1833 OH TYR A 119 -31.139 30.125 7.133 1.00 0.60 O ATOM 0 H TYR A 119 -33.376 26.608 0.101 1.00 0.18 H new ATOM 0 HA TYR A 119 -31.914 29.125 0.710 1.00 0.24 H new ATOM 0 HB2 TYR A 119 -34.007 29.326 1.823 1.00 0.43 H new ATOM 0 HB3 TYR A 119 -33.972 27.651 2.338 1.00 0.43 H new ATOM 0 HD1 TYR A 119 -32.646 31.037 2.950 1.00 0.27 H new ATOM 0 HD2 TYR A 119 -32.760 26.952 4.293 1.00 0.44 H new ATOM 0 HE1 TYR A 119 -31.657 31.713 5.126 1.00 0.33 H new ATOM 0 HE2 TYR A 119 -31.825 27.630 6.492 1.00 0.51 H new ATOM 0 HH TYR A 119 -31.041 29.353 7.728 1.00 0.60 H new ATOM 1843 N GLU A 120 -29.979 27.647 1.580 1.00 0.33 N ATOM 1844 CA GLU A 120 -28.852 26.666 1.487 1.00 0.38 C ATOM 1845 C GLU A 120 -27.574 27.058 2.262 1.00 0.55 C ATOM 1846 O GLU A 120 -26.659 27.741 1.798 1.00 0.78 O ATOM 1847 CB GLU A 120 -28.533 26.462 -0.013 1.00 0.46 C ATOM 1848 CG GLU A 120 -27.408 25.456 -0.341 1.00 0.57 C ATOM 1849 CD GLU A 120 -26.732 25.722 -1.701 1.00 0.68 C ATOM 1850 OE1 GLU A 120 -27.248 26.554 -2.489 1.00 0.73 O ATOM 1851 OE2 GLU A 120 -25.664 25.114 -1.937 1.00 0.88 O ATOM 0 H GLU A 120 -29.709 28.600 1.825 1.00 0.33 H new ATOM 0 HA GLU A 120 -29.184 25.746 1.968 1.00 0.38 H new ATOM 0 HB2 GLU A 120 -29.443 26.134 -0.515 1.00 0.46 H new ATOM 0 HB3 GLU A 120 -28.264 27.428 -0.440 1.00 0.46 H new ATOM 0 HG2 GLU A 120 -26.654 25.495 0.446 1.00 0.57 H new ATOM 0 HG3 GLU A 120 -27.820 24.447 -0.339 1.00 0.57 H new ATOM 1858 N ARG A 121 -27.563 26.988 3.599 1.00 0.54 N ATOM 1859 CA ARG A 121 -26.668 27.815 4.447 1.00 0.74 C ATOM 1860 C ARG A 121 -25.588 27.025 5.196 1.00 0.44 C ATOM 1861 O ARG A 121 -25.698 25.816 5.368 1.00 0.31 O ATOM 1862 CB ARG A 121 -27.531 28.672 5.378 1.00 1.17 C ATOM 1863 CG ARG A 121 -28.615 29.508 4.666 1.00 2.28 C ATOM 1864 CD ARG A 121 -28.276 30.170 3.318 1.00 3.33 C ATOM 1865 NE ARG A 121 -27.175 31.102 3.213 1.00 4.09 N ATOM 1866 CZ ARG A 121 -26.114 31.108 2.413 1.00 5.25 C ATOM 1867 NH1 ARG A 121 -25.990 30.282 1.412 1.00 5.79 N ATOM 1868 NH2 ARG A 121 -25.268 32.094 2.454 1.00 6.09 N ATOM 0 H ARG A 121 -28.168 26.362 4.130 1.00 0.54 H new ATOM 0 HA ARG A 121 -26.087 28.459 3.787 1.00 0.74 H new ATOM 0 HB2 ARG A 121 -28.014 28.020 6.106 1.00 1.17 H new ATOM 0 HB3 ARG A 121 -26.881 29.345 5.936 1.00 1.17 H new ATOM 0 HG2 ARG A 121 -29.479 28.862 4.508 1.00 2.28 H new ATOM 0 HG3 ARG A 121 -28.927 30.296 5.351 1.00 2.28 H new ATOM 0 HD2 ARG A 121 -28.087 29.368 2.604 1.00 3.33 H new ATOM 0 HD3 ARG A 121 -29.172 30.692 2.982 1.00 3.33 H new ATOM 0 HE ARG A 121 -27.221 31.887 3.863 1.00 4.09 H new ATOM 0 HH11 ARG A 121 -26.723 29.599 1.220 1.00 5.79 H new ATOM 0 HH12 ARG A 121 -25.160 30.318 0.821 1.00 5.79 H new ATOM 0 HH21 ARG A 121 -25.417 32.867 3.102 1.00 6.09 H new ATOM 0 HH22 ARG A 121 -24.455 32.094 1.838 1.00 6.09 H new ATOM 1882 N VAL A 122 -24.487 27.694 5.573 1.00 0.52 N ATOM 1883 CA VAL A 122 -23.181 27.080 6.039 1.00 0.38 C ATOM 1884 C VAL A 122 -22.736 27.513 7.452 1.00 0.34 C ATOM 1885 O VAL A 122 -22.896 28.680 7.833 1.00 0.42 O ATOM 1886 CB VAL A 122 -21.954 27.557 5.194 1.00 0.44 C ATOM 1887 CG1 VAL A 122 -20.711 26.574 5.267 1.00 0.86 C ATOM 1888 CG2 VAL A 122 -22.466 27.728 3.777 1.00 0.89 C ATOM 0 H VAL A 122 -24.455 28.713 5.571 1.00 0.52 H new ATOM 0 HA VAL A 122 -23.408 26.016 5.966 1.00 0.38 H new ATOM 0 HB VAL A 122 -21.564 28.492 5.595 1.00 0.44 H new ATOM 0 HG11 VAL A 122 -19.898 26.969 4.657 1.00 0.86 H new ATOM 0 HG12 VAL A 122 -20.378 26.484 6.301 1.00 0.86 H new ATOM 0 HG13 VAL A 122 -21.001 25.592 4.893 1.00 0.86 H new ATOM 0 HG21 VAL A 122 -21.652 28.062 3.134 1.00 0.89 H new ATOM 0 HG22 VAL A 122 -22.850 26.776 3.412 1.00 0.89 H new ATOM 0 HG23 VAL A 122 -23.265 28.470 3.766 1.00 0.89 H new ATOM 1898 N SER A 123 -22.087 26.612 8.138 1.00 0.27 N ATOM 1899 CA SER A 123 -21.632 26.887 9.465 1.00 0.28 C ATOM 1900 C SER A 123 -20.448 26.065 9.793 1.00 0.27 C ATOM 1901 O SER A 123 -20.029 25.162 9.060 1.00 0.36 O ATOM 1902 CB SER A 123 -22.768 26.565 10.391 1.00 0.31 C ATOM 1903 OG SER A 123 -22.518 26.692 11.769 1.00 1.13 O ATOM 0 H SER A 123 -21.863 25.678 7.794 1.00 0.27 H new ATOM 0 HA SER A 123 -21.335 27.931 9.562 1.00 0.28 H new ATOM 0 HB2 SER A 123 -23.607 27.212 10.137 1.00 0.31 H new ATOM 0 HB3 SER A 123 -23.085 25.541 10.196 1.00 0.31 H new ATOM 0 HG SER A 123 -23.327 26.459 12.271 1.00 1.13 H new ATOM 1909 N LYS A 124 -19.858 26.451 10.900 1.00 0.26 N ATOM 1910 CA LYS A 124 -18.524 25.934 11.262 1.00 0.28 C ATOM 1911 C LYS A 124 -18.537 25.342 12.664 1.00 0.25 C ATOM 1912 O LYS A 124 -18.830 26.035 13.629 1.00 0.28 O ATOM 1913 CB LYS A 124 -17.413 26.989 11.024 1.00 0.36 C ATOM 1914 CG LYS A 124 -17.394 28.344 11.775 1.00 0.44 C ATOM 1915 CD LYS A 124 -16.722 28.357 13.162 1.00 0.83 C ATOM 1916 CE LYS A 124 -16.131 29.735 13.522 1.00 1.29 C ATOM 1917 NZ LYS A 124 -17.139 30.812 13.674 1.00 1.76 N ATOM 0 H LYS A 124 -20.258 27.110 11.568 1.00 0.26 H new ATOM 0 HA LYS A 124 -18.273 25.111 10.592 1.00 0.28 H new ATOM 0 HB2 LYS A 124 -16.463 26.499 11.236 1.00 0.36 H new ATOM 0 HB3 LYS A 124 -17.422 27.220 9.959 1.00 0.36 H new ATOM 0 HG2 LYS A 124 -16.888 29.075 11.145 1.00 0.44 H new ATOM 0 HG3 LYS A 124 -18.423 28.682 11.892 1.00 0.44 H new ATOM 0 HD2 LYS A 124 -17.453 28.070 13.918 1.00 0.83 H new ATOM 0 HD3 LYS A 124 -15.930 27.609 13.185 1.00 0.83 H new ATOM 0 HE2 LYS A 124 -15.570 29.645 14.452 1.00 1.29 H new ATOM 0 HE3 LYS A 124 -15.420 30.026 12.748 1.00 1.29 H new ATOM 0 HZ1 LYS A 124 -16.658 31.732 13.730 1.00 1.76 H new ATOM 0 HZ2 LYS A 124 -17.780 30.805 12.855 1.00 1.76 H new ATOM 0 HZ3 LYS A 124 -17.687 30.655 14.544 1.00 1.76 H new ATOM 1931 N ARG A 125 -18.179 24.048 12.728 1.00 0.23 N ATOM 1932 CA ARG A 125 -18.025 23.282 13.971 1.00 0.21 C ATOM 1933 C ARG A 125 -16.796 23.748 14.747 1.00 0.23 C ATOM 1934 O ARG A 125 -15.779 24.074 14.139 1.00 0.26 O ATOM 1935 CB ARG A 125 -17.989 21.759 13.706 1.00 0.26 C ATOM 1936 CG ARG A 125 -16.599 21.155 13.415 1.00 0.40 C ATOM 1937 CD ARG A 125 -16.671 19.705 12.913 1.00 0.65 C ATOM 1938 NE ARG A 125 -17.329 18.804 13.886 1.00 1.02 N ATOM 1939 CZ ARG A 125 -17.601 17.522 13.691 1.00 1.53 C ATOM 1940 NH1 ARG A 125 -17.180 16.881 12.636 1.00 2.06 N ATOM 1941 NH2 ARG A 125 -18.333 16.860 14.543 1.00 2.00 N ATOM 0 H ARG A 125 -17.984 23.494 11.894 1.00 0.23 H new ATOM 0 HA ARG A 125 -18.902 23.473 14.589 1.00 0.21 H new ATOM 0 HB2 ARG A 125 -18.410 21.250 14.573 1.00 0.26 H new ATOM 0 HB3 ARG A 125 -18.642 21.542 12.860 1.00 0.26 H new ATOM 0 HG2 ARG A 125 -16.091 21.767 12.670 1.00 0.40 H new ATOM 0 HG3 ARG A 125 -15.996 21.191 14.322 1.00 0.40 H new ATOM 0 HD2 ARG A 125 -17.216 19.677 11.969 1.00 0.65 H new ATOM 0 HD3 ARG A 125 -15.663 19.343 12.710 1.00 0.65 H new ATOM 0 HE ARG A 125 -17.596 19.205 14.785 1.00 1.02 H new ATOM 0 HH11 ARG A 125 -16.624 17.367 11.932 1.00 2.06 H new ATOM 0 HH12 ARG A 125 -17.406 15.894 12.515 1.00 2.06 H new ATOM 0 HH21 ARG A 125 -18.703 17.329 15.370 1.00 2.00 H new ATOM 0 HH22 ARG A 125 -18.536 15.873 14.383 1.00 2.00 H new ATOM 1955 N LEU A 126 -16.848 23.571 16.064 1.00 0.25 N ATOM 1956 CA LEU A 126 -15.698 23.724 16.968 1.00 0.28 C ATOM 1957 C LEU A 126 -15.850 22.974 18.308 1.00 0.31 C ATOM 1958 O LEU A 126 -15.095 23.243 19.236 1.00 0.41 O ATOM 1959 CB LEU A 126 -15.295 25.217 17.106 1.00 0.30 C ATOM 1960 CG LEU A 126 -16.236 26.246 17.765 1.00 0.29 C ATOM 1961 CD1 LEU A 126 -17.637 26.251 17.159 1.00 0.28 C ATOM 1962 CD2 LEU A 126 -16.348 26.109 19.284 1.00 0.30 C ATOM 0 H LEU A 126 -17.707 23.311 16.549 1.00 0.25 H new ATOM 0 HA LEU A 126 -14.853 23.218 16.502 1.00 0.28 H new ATOM 0 HB2 LEU A 126 -14.358 25.243 17.662 1.00 0.30 H new ATOM 0 HB3 LEU A 126 -15.080 25.582 16.102 1.00 0.30 H new ATOM 0 HG LEU A 126 -15.754 27.200 17.551 1.00 0.29 H new ATOM 0 HD11 LEU A 126 -18.250 26.996 17.666 1.00 0.28 H new ATOM 0 HD12 LEU A 126 -17.574 26.494 16.098 1.00 0.28 H new ATOM 0 HD13 LEU A 126 -18.089 25.266 17.279 1.00 0.28 H new ATOM 0 HD21 LEU A 126 -17.028 26.869 19.669 1.00 0.30 H new ATOM 0 HD22 LEU A 126 -16.732 25.120 19.533 1.00 0.30 H new ATOM 0 HD23 LEU A 126 -15.364 26.241 19.735 1.00 0.30 H new ATOM 1974 N ALA A 127 -16.777 22.004 18.412 1.00 0.40 N ATOM 1975 CA ALA A 127 -16.782 21.090 19.595 1.00 0.44 C ATOM 1976 C ALA A 127 -15.896 19.844 19.231 1.00 0.71 C ATOM 1977 O ALA A 127 -15.759 19.515 18.021 1.00 1.34 O ATOM 1978 CB ALA A 127 -18.224 20.750 19.979 1.00 0.44 C ATOM 1979 OXT ALA A 127 -15.337 19.189 20.111 1.00 30.00 O ATOM 0 H ALA A 127 -17.511 21.827 17.726 1.00 0.40 H new ATOM 0 HA ALA A 127 -16.351 21.554 20.482 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -18.223 20.084 20.842 1.00 0.44 H new ATOM 0 HB2 ALA A 127 -18.760 21.666 20.228 1.00 0.44 H new ATOM 0 HB3 ALA A 127 -18.717 20.258 19.141 1.00 0.44 H new