USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 826 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 108 ASN : amide:sc= 1.15 K(o=1.5,f=-10!) USER MOD Set 1.2: A 110 ASN : amide:sc= 0.303 K(o=1.5,f=0.33) USER MOD Set 2.1: A 51 HIS : no HD1:sc= 0.457 K(o=1.4,f=-0.75) USER MOD Set 2.2: A 83 SER OG : rot 120:sc= 0.968 USER MOD Set 3.1: A 11 LYS NZ :NH3+ -168:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 104 GLN : amide:sc= 1.08 K(o=2.3,f=-5.6!) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 1.07 USER MOD Set 4.2: A 17 THR OG1 : rot 104:sc= 1.18 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0606 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 15 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.38) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 CYS SG : rot 28:sc= 0.64 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 31 GLN : amide:sc=-0.00734 X(o=-0.0073,f=0) USER MOD Single : A 33 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-2.9) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.302 F(o=-1.1,f=-0.3) USER MOD Single : A 37 MET CE :methyl 172:sc= -0.15 (180deg=-0.309) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -99:sc= 0.688 USER MOD Single : A 48 SER OG : rot 180:sc= 0.193 USER MOD Single : A 49 THR OG1 : rot -15:sc= 0.763 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -131:sc= 0.0672 USER MOD Single : A 70 ASN : amide:sc= -0.638 K(o=-0.64,f=-4!) USER MOD Single : A 72 MET CE :methyl 168:sc= -0.2 (180deg=-0.477) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.095 USER MOD Single : A 82 THR OG1 : rot 134:sc= 1.22 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.327 F(o=-1.6!,f=-0.33) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 157:sc= -0.198 (180deg=-0.4) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 0.206 (180deg=0.203) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 48.848 18.728 20.015 1.00 0.00 N ATOM 2 CA GLY A 1 48.075 17.619 20.587 1.00 0.00 C ATOM 3 C GLY A 1 46.953 18.104 21.483 1.00 0.00 C ATOM 4 O GLY A 1 46.872 19.290 21.809 1.00 0.00 O ATOM 0 H1 GLY A 1 48.671 18.783 18.992 1.00 0.00 H new ATOM 0 H2 GLY A 1 48.560 19.620 20.465 1.00 0.00 H new ATOM 0 H3 GLY A 1 49.862 18.568 20.183 1.00 0.00 H new ATOM 0 HA2 GLY A 1 47.658 17.015 19.781 1.00 0.00 H new ATOM 0 HA3 GLY A 1 48.740 16.972 21.159 1.00 0.00 H new ATOM 10 N GLU A 2 46.116 17.166 21.924 1.00 0.00 N ATOM 11 CA GLU A 2 44.947 17.357 22.799 1.00 0.00 C ATOM 12 C GLU A 2 43.899 18.351 22.252 1.00 0.00 C ATOM 13 O GLU A 2 43.326 19.142 23.003 1.00 0.00 O ATOM 14 CB GLU A 2 45.364 17.645 24.257 1.00 0.00 C ATOM 15 CG GLU A 2 46.468 16.746 24.839 1.00 0.00 C ATOM 16 CD GLU A 2 46.057 15.293 25.103 1.00 0.00 C ATOM 17 OE1 GLU A 2 45.486 14.617 24.215 1.00 0.00 O ATOM 18 OE2 GLU A 2 46.384 14.781 26.203 1.00 0.00 O ATOM 0 H GLU A 2 46.239 16.187 21.666 1.00 0.00 H new ATOM 0 HA GLU A 2 44.422 16.402 22.804 1.00 0.00 H new ATOM 0 HB2 GLU A 2 45.698 18.681 24.319 1.00 0.00 H new ATOM 0 HB3 GLU A 2 44.481 17.556 24.890 1.00 0.00 H new ATOM 0 HG2 GLU A 2 47.315 16.748 24.153 1.00 0.00 H new ATOM 0 HG3 GLU A 2 46.815 17.184 25.775 1.00 0.00 H new ATOM 25 N GLU A 3 43.648 18.329 20.938 1.00 0.00 N ATOM 26 CA GLU A 3 42.582 19.114 20.296 1.00 0.00 C ATOM 27 C GLU A 3 41.211 18.412 20.408 1.00 0.00 C ATOM 28 O GLU A 3 41.084 17.200 20.197 1.00 0.00 O ATOM 29 CB GLU A 3 42.984 19.453 18.851 1.00 0.00 C ATOM 30 CG GLU A 3 42.068 20.492 18.186 1.00 0.00 C ATOM 31 CD GLU A 3 42.713 21.058 16.915 1.00 0.00 C ATOM 32 OE1 GLU A 3 42.741 20.364 15.870 1.00 0.00 O ATOM 33 OE2 GLU A 3 43.231 22.201 16.946 1.00 0.00 O ATOM 0 H GLU A 3 44.184 17.761 20.282 1.00 0.00 H new ATOM 0 HA GLU A 3 42.461 20.059 20.826 1.00 0.00 H new ATOM 0 HB2 GLU A 3 44.008 19.827 18.846 1.00 0.00 H new ATOM 0 HB3 GLU A 3 42.975 18.540 18.256 1.00 0.00 H new ATOM 0 HG2 GLU A 3 41.111 20.033 17.939 1.00 0.00 H new ATOM 0 HG3 GLU A 3 41.862 21.302 18.886 1.00 0.00 H new ATOM 40 N LEU A 4 40.183 19.186 20.759 1.00 0.00 N ATOM 41 CA LEU A 4 38.841 18.779 21.203 1.00 0.00 C ATOM 42 C LEU A 4 37.791 19.722 20.583 1.00 0.00 C ATOM 43 O LEU A 4 38.153 20.794 20.095 1.00 0.00 O ATOM 44 CB LEU A 4 38.781 18.913 22.744 1.00 0.00 C ATOM 45 CG LEU A 4 39.868 18.165 23.543 1.00 0.00 C ATOM 46 CD1 LEU A 4 39.830 18.600 25.007 1.00 0.00 C ATOM 47 CD2 LEU A 4 39.692 16.653 23.485 1.00 0.00 C ATOM 0 H LEU A 4 40.272 20.202 20.740 1.00 0.00 H new ATOM 0 HA LEU A 4 38.639 17.753 20.896 1.00 0.00 H new ATOM 0 HB2 LEU A 4 38.840 19.972 22.997 1.00 0.00 H new ATOM 0 HB3 LEU A 4 37.806 18.559 23.080 1.00 0.00 H new ATOM 0 HG LEU A 4 40.825 18.418 23.087 1.00 0.00 H new ATOM 0 HD11 LEU A 4 40.600 18.068 25.565 1.00 0.00 H new ATOM 0 HD12 LEU A 4 40.011 19.673 25.073 1.00 0.00 H new ATOM 0 HD13 LEU A 4 38.852 18.370 25.430 1.00 0.00 H new ATOM 0 HD21 LEU A 4 40.482 16.172 24.063 1.00 0.00 H new ATOM 0 HD22 LEU A 4 38.722 16.383 23.902 1.00 0.00 H new ATOM 0 HD23 LEU A 4 39.747 16.320 22.449 1.00 0.00 H new ATOM 59 N LYS A 5 36.489 19.409 20.672 1.00 0.00 N ATOM 60 CA LYS A 5 35.422 20.373 20.338 1.00 0.00 C ATOM 61 C LYS A 5 34.397 20.599 21.452 1.00 0.00 C ATOM 62 O LYS A 5 34.207 19.743 22.315 1.00 0.00 O ATOM 63 CB LYS A 5 34.794 20.070 18.973 1.00 0.00 C ATOM 64 CG LYS A 5 33.805 18.900 18.978 1.00 0.00 C ATOM 65 CD LYS A 5 33.101 18.849 17.619 1.00 0.00 C ATOM 66 CE LYS A 5 31.904 17.890 17.598 1.00 0.00 C ATOM 67 NZ LYS A 5 32.318 16.479 17.409 1.00 0.00 N ATOM 0 H LYS A 5 36.147 18.496 20.972 1.00 0.00 H new ATOM 0 HA LYS A 5 35.914 21.342 20.250 1.00 0.00 H new ATOM 0 HB2 LYS A 5 34.280 20.963 18.617 1.00 0.00 H new ATOM 0 HB3 LYS A 5 35.590 19.854 18.260 1.00 0.00 H new ATOM 0 HG2 LYS A 5 34.329 17.963 19.168 1.00 0.00 H new ATOM 0 HG3 LYS A 5 33.075 19.025 19.778 1.00 0.00 H new ATOM 0 HD2 LYS A 5 32.762 19.850 17.354 1.00 0.00 H new ATOM 0 HD3 LYS A 5 33.817 18.543 16.856 1.00 0.00 H new ATOM 0 HE2 LYS A 5 31.351 17.982 18.533 1.00 0.00 H new ATOM 0 HE3 LYS A 5 31.225 18.178 16.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 31.476 15.868 17.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 32.823 16.384 16.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 32.945 16.194 18.188 1.00 0.00 H new ATOM 81 N ILE A 6 33.749 21.761 21.389 1.00 0.00 N ATOM 82 CA ILE A 6 32.724 22.294 22.307 1.00 0.00 C ATOM 83 C ILE A 6 31.565 22.848 21.470 1.00 0.00 C ATOM 84 O ILE A 6 31.790 23.679 20.590 1.00 0.00 O ATOM 85 CB ILE A 6 33.329 23.369 23.266 1.00 0.00 C ATOM 86 CG1 ILE A 6 32.268 24.202 24.046 1.00 0.00 C ATOM 87 CG2 ILE A 6 34.251 24.351 22.515 1.00 0.00 C ATOM 88 CD1 ILE A 6 32.806 24.987 25.243 1.00 0.00 C ATOM 0 H ILE A 6 33.939 22.416 20.631 1.00 0.00 H new ATOM 0 HA ILE A 6 32.347 21.498 22.948 1.00 0.00 H new ATOM 0 HB ILE A 6 33.897 22.785 23.991 1.00 0.00 H new ATOM 0 HG12 ILE A 6 31.799 24.902 23.354 1.00 0.00 H new ATOM 0 HG13 ILE A 6 31.486 23.528 24.396 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.652 25.083 23.217 1.00 0.00 H new ATOM 0 HG22 ILE A 6 35.072 23.800 22.056 1.00 0.00 H new ATOM 0 HG23 ILE A 6 33.681 24.865 21.741 1.00 0.00 H new ATOM 0 HD11 ILE A 6 31.990 25.532 25.717 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.247 24.297 25.962 1.00 0.00 H new ATOM 0 HD13 ILE A 6 33.565 25.692 24.904 1.00 0.00 H new ATOM 100 N THR A 7 30.329 22.418 21.740 1.00 0.00 N ATOM 101 CA THR A 7 29.121 22.973 21.123 1.00 0.00 C ATOM 102 C THR A 7 28.421 23.895 22.096 1.00 0.00 C ATOM 103 O THR A 7 28.144 23.515 23.230 1.00 0.00 O ATOM 104 CB THR A 7 28.164 21.863 20.649 1.00 0.00 C ATOM 105 OG1 THR A 7 28.782 21.053 19.674 1.00 0.00 O ATOM 106 CG2 THR A 7 26.904 22.434 19.992 1.00 0.00 C ATOM 0 H THR A 7 30.137 21.666 22.401 1.00 0.00 H new ATOM 0 HA THR A 7 29.423 23.542 20.244 1.00 0.00 H new ATOM 0 HB THR A 7 27.904 21.293 21.541 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.159 20.353 19.387 1.00 0.00 H new ATOM 0 HG21 THR A 7 26.258 21.616 19.673 1.00 0.00 H new ATOM 0 HG22 THR A 7 26.371 23.059 20.709 1.00 0.00 H new ATOM 0 HG23 THR A 7 27.185 23.033 19.126 1.00 0.00 H new ATOM 114 N PHE A 8 28.075 25.085 21.624 1.00 0.00 N ATOM 115 CA PHE A 8 27.252 26.041 22.344 1.00 0.00 C ATOM 116 C PHE A 8 25.943 26.290 21.586 1.00 0.00 C ATOM 117 O PHE A 8 25.939 26.456 20.363 1.00 0.00 O ATOM 118 CB PHE A 8 28.013 27.346 22.638 1.00 0.00 C ATOM 119 CG PHE A 8 29.519 27.288 22.884 1.00 0.00 C ATOM 120 CD1 PHE A 8 30.351 27.010 21.780 1.00 0.00 C ATOM 121 CD2 PHE A 8 30.121 27.636 24.125 1.00 0.00 C ATOM 122 CE1 PHE A 8 31.737 27.012 21.915 1.00 0.00 C ATOM 123 CE2 PHE A 8 31.517 27.715 24.229 1.00 0.00 C ATOM 124 CZ PHE A 8 32.316 27.389 23.126 1.00 0.00 C ATOM 0 H PHE A 8 28.368 25.419 20.706 1.00 0.00 H new ATOM 0 HA PHE A 8 27.000 25.613 23.314 1.00 0.00 H new ATOM 0 HB2 PHE A 8 27.843 28.022 21.800 1.00 0.00 H new ATOM 0 HB3 PHE A 8 27.554 27.804 23.514 1.00 0.00 H new ATOM 0 HD1 PHE A 8 29.908 26.793 20.819 1.00 0.00 H new ATOM 0 HD2 PHE A 8 29.503 27.839 24.987 1.00 0.00 H new ATOM 0 HE1 PHE A 8 32.362 26.722 21.083 1.00 0.00 H new ATOM 0 HE2 PHE A 8 31.975 28.026 25.156 1.00 0.00 H new ATOM 0 HZ PHE A 8 33.392 27.430 23.214 1.00 0.00 H new ATOM 134 N ILE A 9 24.838 26.328 22.330 1.00 0.00 N ATOM 135 CA ILE A 9 23.521 26.748 21.836 1.00 0.00 C ATOM 136 C ILE A 9 23.406 28.257 22.036 1.00 0.00 C ATOM 137 O ILE A 9 23.323 28.723 23.168 1.00 0.00 O ATOM 138 CB ILE A 9 22.377 26.002 22.551 1.00 0.00 C ATOM 139 CG1 ILE A 9 22.654 24.484 22.590 1.00 0.00 C ATOM 140 CG2 ILE A 9 21.019 26.373 21.927 1.00 0.00 C ATOM 141 CD1 ILE A 9 21.452 23.584 22.892 1.00 0.00 C ATOM 0 H ILE A 9 24.830 26.062 23.315 1.00 0.00 H new ATOM 0 HA ILE A 9 23.430 26.500 20.778 1.00 0.00 H new ATOM 0 HB ILE A 9 22.328 26.321 23.592 1.00 0.00 H new ATOM 0 HG12 ILE A 9 23.071 24.187 21.628 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.421 24.295 23.341 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.223 25.837 22.444 1.00 0.00 H new ATOM 0 HG22 ILE A 9 20.856 27.446 22.023 1.00 0.00 H new ATOM 0 HG23 ILE A 9 21.016 26.098 20.872 1.00 0.00 H new ATOM 0 HD11 ILE A 9 21.769 22.541 22.893 1.00 0.00 H new ATOM 0 HD12 ILE A 9 21.043 23.839 23.869 1.00 0.00 H new ATOM 0 HD13 ILE A 9 20.687 23.730 22.129 1.00 0.00 H new ATOM 153 N LEU A 10 23.432 29.027 20.958 1.00 0.00 N ATOM 154 CA LEU A 10 23.585 30.477 20.976 1.00 0.00 C ATOM 155 C LEU A 10 22.434 31.207 21.675 1.00 0.00 C ATOM 156 O LEU A 10 21.338 30.675 21.860 1.00 0.00 O ATOM 157 CB LEU A 10 23.743 30.995 19.536 1.00 0.00 C ATOM 158 CG LEU A 10 24.942 30.485 18.716 1.00 0.00 C ATOM 159 CD1 LEU A 10 25.275 31.572 17.689 1.00 0.00 C ATOM 160 CD2 LEU A 10 26.177 30.247 19.581 1.00 0.00 C ATOM 0 H LEU A 10 23.344 28.648 20.015 1.00 0.00 H new ATOM 0 HA LEU A 10 24.480 30.692 21.560 1.00 0.00 H new ATOM 0 HB2 LEU A 10 22.833 30.746 18.989 1.00 0.00 H new ATOM 0 HB3 LEU A 10 23.803 32.083 19.576 1.00 0.00 H new ATOM 0 HG LEU A 10 24.676 29.534 18.255 1.00 0.00 H new ATOM 0 HD11 LEU A 10 26.123 31.252 17.083 1.00 0.00 H new ATOM 0 HD12 LEU A 10 24.412 31.741 17.045 1.00 0.00 H new ATOM 0 HD13 LEU A 10 25.528 32.497 18.207 1.00 0.00 H new ATOM 0 HD21 LEU A 10 26.995 29.888 18.956 1.00 0.00 H new ATOM 0 HD22 LEU A 10 26.470 31.180 20.062 1.00 0.00 H new ATOM 0 HD23 LEU A 10 25.949 29.502 20.344 1.00 0.00 H new ATOM 172 N LYS A 11 22.667 32.481 21.995 1.00 0.00 N ATOM 173 CA LYS A 11 21.650 33.394 22.532 1.00 0.00 C ATOM 174 C LYS A 11 20.475 33.579 21.551 1.00 0.00 C ATOM 175 O LYS A 11 19.323 33.611 21.974 1.00 0.00 O ATOM 176 CB LYS A 11 22.378 34.695 22.930 1.00 0.00 C ATOM 177 CG LYS A 11 21.973 35.215 24.313 1.00 0.00 C ATOM 178 CD LYS A 11 20.656 36.001 24.271 1.00 0.00 C ATOM 179 CE LYS A 11 20.894 37.434 23.791 1.00 0.00 C ATOM 180 NZ LYS A 11 19.635 38.207 23.776 1.00 0.00 N ATOM 0 H LYS A 11 23.583 32.917 21.887 1.00 0.00 H new ATOM 0 HA LYS A 11 21.169 32.986 23.421 1.00 0.00 H new ATOM 0 HB2 LYS A 11 23.454 34.521 22.915 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.169 35.463 22.185 1.00 0.00 H new ATOM 0 HG2 LYS A 11 21.872 34.375 25.000 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.764 35.854 24.705 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.951 35.502 23.606 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.204 36.015 25.263 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.617 37.924 24.443 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.327 37.418 22.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.781 39.099 23.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.893 37.652 23.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.343 38.415 24.752 1.00 0.00 H new ATOM 194 N ASP A 12 20.749 33.549 20.246 1.00 0.00 N ATOM 195 CA ASP A 12 19.782 33.475 19.137 1.00 0.00 C ATOM 196 C ASP A 12 19.472 32.023 18.680 1.00 0.00 C ATOM 197 O ASP A 12 19.070 31.769 17.542 1.00 0.00 O ATOM 198 CB ASP A 12 20.274 34.390 18.002 1.00 0.00 C ATOM 199 CG ASP A 12 19.210 34.687 16.944 1.00 0.00 C ATOM 200 OD1 ASP A 12 18.019 34.856 17.303 1.00 0.00 O ATOM 201 OD2 ASP A 12 19.557 34.777 15.744 1.00 0.00 O ATOM 0 H ASP A 12 21.711 33.577 19.908 1.00 0.00 H new ATOM 0 HA ASP A 12 18.814 33.836 19.485 1.00 0.00 H new ATOM 0 HB2 ASP A 12 20.620 35.331 18.430 1.00 0.00 H new ATOM 0 HB3 ASP A 12 21.133 33.925 17.519 1.00 0.00 H new ATOM 206 N GLY A 13 19.683 31.039 19.556 1.00 0.00 N ATOM 207 CA GLY A 13 19.301 29.631 19.381 1.00 0.00 C ATOM 208 C GLY A 13 20.201 28.785 18.472 1.00 0.00 C ATOM 209 O GLY A 13 20.121 27.562 18.531 1.00 0.00 O ATOM 0 H GLY A 13 20.146 31.207 20.449 1.00 0.00 H new ATOM 0 HA2 GLY A 13 19.271 29.161 20.364 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.287 29.600 18.982 1.00 0.00 H new ATOM 213 N SER A 14 21.075 29.391 17.661 1.00 0.00 N ATOM 214 CA SER A 14 21.953 28.682 16.715 1.00 0.00 C ATOM 215 C SER A 14 22.851 27.639 17.395 1.00 0.00 C ATOM 216 O SER A 14 23.123 27.703 18.589 1.00 0.00 O ATOM 217 CB SER A 14 22.807 29.656 15.876 1.00 0.00 C ATOM 218 OG SER A 14 22.162 30.915 15.719 1.00 0.00 O ATOM 0 H SER A 14 21.196 30.404 17.641 1.00 0.00 H new ATOM 0 HA SER A 14 21.282 28.146 16.044 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.775 29.800 16.357 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.000 29.220 14.896 1.00 0.00 H new ATOM 0 HG SER A 14 22.730 31.509 15.185 1.00 0.00 H new ATOM 224 N GLN A 15 23.365 26.675 16.646 1.00 0.00 N ATOM 225 CA GLN A 15 24.405 25.753 17.089 1.00 0.00 C ATOM 226 C GLN A 15 25.713 26.186 16.481 1.00 0.00 C ATOM 227 O GLN A 15 25.821 26.434 15.280 1.00 0.00 O ATOM 228 CB GLN A 15 24.116 24.309 16.658 1.00 0.00 C ATOM 229 CG GLN A 15 23.018 23.582 17.447 1.00 0.00 C ATOM 230 CD GLN A 15 21.676 24.302 17.499 1.00 0.00 C ATOM 231 OE1 GLN A 15 20.830 24.179 16.625 1.00 0.00 O ATOM 232 NE2 GLN A 15 21.446 25.097 18.515 1.00 0.00 N ATOM 0 H GLN A 15 23.063 26.506 15.686 1.00 0.00 H new ATOM 0 HA GLN A 15 24.441 25.777 18.178 1.00 0.00 H new ATOM 0 HB2 GLN A 15 23.837 24.313 15.604 1.00 0.00 H new ATOM 0 HB3 GLN A 15 25.038 23.734 16.741 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.867 22.596 17.006 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.368 23.425 18.467 1.00 0.00 H new ATOM 0 HE21 GLN A 15 22.147 25.204 19.248 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.565 25.609 18.573 1.00 0.00 H new ATOM 241 N LYS A 16 26.723 26.239 17.338 1.00 0.00 N ATOM 242 CA LYS A 16 28.079 26.522 16.932 1.00 0.00 C ATOM 243 C LYS A 16 28.984 25.579 17.685 1.00 0.00 C ATOM 244 O LYS A 16 28.933 25.495 18.909 1.00 0.00 O ATOM 245 CB LYS A 16 28.384 27.969 17.257 1.00 0.00 C ATOM 246 CG LYS A 16 27.610 28.993 16.405 1.00 0.00 C ATOM 247 CD LYS A 16 27.995 29.070 14.917 1.00 0.00 C ATOM 248 CE LYS A 16 27.662 30.483 14.415 1.00 0.00 C ATOM 249 NZ LYS A 16 27.927 30.676 12.969 1.00 0.00 N ATOM 0 H LYS A 16 26.616 26.085 18.341 1.00 0.00 H new ATOM 0 HA LYS A 16 28.227 26.377 15.862 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.159 28.147 18.309 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.452 28.140 17.126 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.547 28.761 16.472 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.749 29.980 16.846 1.00 0.00 H new ATOM 0 HD2 LYS A 16 29.056 28.859 14.786 1.00 0.00 H new ATOM 0 HD3 LYS A 16 27.448 28.322 14.342 1.00 0.00 H new ATOM 0 HE2 LYS A 16 26.611 30.692 14.615 1.00 0.00 H new ATOM 0 HE3 LYS A 16 28.245 31.208 14.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 27.681 31.649 12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 28.935 30.507 12.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 27.352 30.007 12.418 1.00 0.00 H new ATOM 263 N THR A 17 29.760 24.840 16.918 1.00 0.00 N ATOM 264 CA THR A 17 30.705 23.834 17.432 1.00 0.00 C ATOM 265 C THR A 17 32.154 24.136 17.045 1.00 0.00 C ATOM 266 O THR A 17 32.489 24.284 15.869 1.00 0.00 O ATOM 267 CB THR A 17 30.258 22.400 17.117 1.00 0.00 C ATOM 268 OG1 THR A 17 30.892 21.527 18.016 1.00 0.00 O ATOM 269 CG2 THR A 17 30.549 21.912 15.701 1.00 0.00 C ATOM 0 H THR A 17 29.762 24.913 15.901 1.00 0.00 H new ATOM 0 HA THR A 17 30.686 23.907 18.519 1.00 0.00 H new ATOM 0 HB THR A 17 29.172 22.408 17.213 1.00 0.00 H new ATOM 0 HG1 THR A 17 30.250 21.236 18.697 1.00 0.00 H new ATOM 0 HG21 THR A 17 30.192 20.888 15.588 1.00 0.00 H new ATOM 0 HG22 THR A 17 30.040 22.555 14.983 1.00 0.00 H new ATOM 0 HG23 THR A 17 31.623 21.944 15.519 1.00 0.00 H new ATOM 277 N TYR A 18 33.027 24.281 18.035 1.00 0.00 N ATOM 278 CA TYR A 18 34.308 24.990 17.920 1.00 0.00 C ATOM 279 C TYR A 18 35.485 24.128 18.393 1.00 0.00 C ATOM 280 O TYR A 18 35.362 23.440 19.404 1.00 0.00 O ATOM 281 CB TYR A 18 34.216 26.269 18.762 1.00 0.00 C ATOM 282 CG TYR A 18 33.303 27.386 18.268 1.00 0.00 C ATOM 283 CD1 TYR A 18 32.860 27.465 16.929 1.00 0.00 C ATOM 284 CD2 TYR A 18 32.962 28.421 19.161 1.00 0.00 C ATOM 285 CE1 TYR A 18 32.093 28.558 16.490 1.00 0.00 C ATOM 286 CE2 TYR A 18 32.194 29.511 18.724 1.00 0.00 C ATOM 287 CZ TYR A 18 31.772 29.597 17.386 1.00 0.00 C ATOM 288 OH TYR A 18 31.096 30.700 16.974 1.00 0.00 O ATOM 0 H TYR A 18 32.864 23.901 18.967 1.00 0.00 H new ATOM 0 HA TYR A 18 34.493 25.226 16.872 1.00 0.00 H new ATOM 0 HB2 TYR A 18 33.888 25.987 19.763 1.00 0.00 H new ATOM 0 HB3 TYR A 18 35.222 26.678 18.859 1.00 0.00 H new ATOM 0 HD1 TYR A 18 33.113 26.677 16.235 1.00 0.00 H new ATOM 0 HD2 TYR A 18 33.294 28.375 20.188 1.00 0.00 H new ATOM 0 HE1 TYR A 18 31.750 28.601 15.467 1.00 0.00 H new ATOM 0 HE2 TYR A 18 31.925 30.290 19.422 1.00 0.00 H new ATOM 0 HH TYR A 18 30.505 30.462 16.229 1.00 0.00 H new ATOM 298 N GLU A 19 36.626 24.178 17.692 1.00 0.00 N ATOM 299 CA GLU A 19 37.819 23.370 18.008 1.00 0.00 C ATOM 300 C GLU A 19 38.788 24.087 18.976 1.00 0.00 C ATOM 301 O GLU A 19 39.335 25.149 18.670 1.00 0.00 O ATOM 302 CB GLU A 19 38.480 22.829 16.718 1.00 0.00 C ATOM 303 CG GLU A 19 39.058 23.885 15.762 1.00 0.00 C ATOM 304 CD GLU A 19 39.372 23.300 14.374 1.00 0.00 C ATOM 305 OE1 GLU A 19 40.470 22.736 14.158 1.00 0.00 O ATOM 306 OE2 GLU A 19 38.551 23.469 13.440 1.00 0.00 O ATOM 0 H GLU A 19 36.751 24.785 16.882 1.00 0.00 H new ATOM 0 HA GLU A 19 37.494 22.493 18.567 1.00 0.00 H new ATOM 0 HB2 GLU A 19 39.282 22.148 17.003 1.00 0.00 H new ATOM 0 HB3 GLU A 19 37.741 22.241 16.174 1.00 0.00 H new ATOM 0 HG2 GLU A 19 38.348 24.705 15.657 1.00 0.00 H new ATOM 0 HG3 GLU A 19 39.968 24.304 16.193 1.00 0.00 H new ATOM 313 N VAL A 20 38.985 23.507 20.163 1.00 0.00 N ATOM 314 CA VAL A 20 39.727 24.042 21.322 1.00 0.00 C ATOM 315 C VAL A 20 40.710 23.018 21.890 1.00 0.00 C ATOM 316 O VAL A 20 40.777 21.885 21.416 1.00 0.00 O ATOM 317 CB VAL A 20 38.743 24.480 22.426 1.00 0.00 C ATOM 318 CG1 VAL A 20 37.861 25.631 21.954 1.00 0.00 C ATOM 319 CG2 VAL A 20 37.850 23.335 22.921 1.00 0.00 C ATOM 0 H VAL A 20 38.604 22.582 20.360 1.00 0.00 H new ATOM 0 HA VAL A 20 40.299 24.902 20.974 1.00 0.00 H new ATOM 0 HB VAL A 20 39.363 24.807 23.260 1.00 0.00 H new ATOM 0 HG11 VAL A 20 37.178 25.918 22.754 1.00 0.00 H new ATOM 0 HG12 VAL A 20 38.486 26.483 21.688 1.00 0.00 H new ATOM 0 HG13 VAL A 20 37.287 25.316 21.082 1.00 0.00 H new ATOM 0 HG21 VAL A 20 37.180 23.706 23.697 1.00 0.00 H new ATOM 0 HG22 VAL A 20 37.263 22.946 22.089 1.00 0.00 H new ATOM 0 HG23 VAL A 20 38.472 22.539 23.329 1.00 0.00 H new ATOM 329 N CYS A 21 41.458 23.388 22.931 1.00 0.00 N ATOM 330 CA CYS A 21 42.356 22.472 23.632 1.00 0.00 C ATOM 331 C CYS A 21 41.948 22.234 25.098 1.00 0.00 C ATOM 332 O CYS A 21 41.149 22.955 25.695 1.00 0.00 O ATOM 333 CB CYS A 21 43.786 22.992 23.462 1.00 0.00 C ATOM 334 SG CYS A 21 45.008 21.688 23.796 1.00 0.00 S ATOM 0 H CYS A 21 41.457 24.334 23.312 1.00 0.00 H new ATOM 0 HA CYS A 21 42.289 21.478 23.190 1.00 0.00 H new ATOM 0 HB2 CYS A 21 43.920 23.368 22.448 1.00 0.00 H new ATOM 0 HB3 CYS A 21 43.953 23.831 24.137 1.00 0.00 H new ATOM 0 HG CYS A 21 44.489 20.527 23.525 1.00 0.00 H new ATOM 340 N GLU A 22 42.511 21.183 25.681 1.00 0.00 N ATOM 341 CA GLU A 22 42.393 20.800 27.080 1.00 0.00 C ATOM 342 C GLU A 22 42.814 21.925 28.056 1.00 0.00 C ATOM 343 O GLU A 22 43.843 22.589 27.869 1.00 0.00 O ATOM 344 CB GLU A 22 43.302 19.570 27.211 1.00 0.00 C ATOM 345 CG GLU A 22 43.139 18.817 28.521 1.00 0.00 C ATOM 346 CD GLU A 22 44.393 18.022 28.899 1.00 0.00 C ATOM 347 OE1 GLU A 22 45.493 18.625 29.000 1.00 0.00 O ATOM 348 OE2 GLU A 22 44.281 16.804 29.171 1.00 0.00 O ATOM 0 H GLU A 22 43.099 20.536 25.155 1.00 0.00 H new ATOM 0 HA GLU A 22 41.357 20.593 27.349 1.00 0.00 H new ATOM 0 HB2 GLU A 22 43.096 18.889 26.385 1.00 0.00 H new ATOM 0 HB3 GLU A 22 44.340 19.886 27.113 1.00 0.00 H new ATOM 0 HG2 GLU A 22 42.907 19.525 29.317 1.00 0.00 H new ATOM 0 HG3 GLU A 22 42.291 18.137 28.443 1.00 0.00 H new ATOM 355 N GLY A 23 42.035 22.122 29.127 1.00 0.00 N ATOM 356 CA GLY A 23 42.234 23.177 30.127 1.00 0.00 C ATOM 357 C GLY A 23 41.473 24.478 29.843 1.00 0.00 C ATOM 358 O GLY A 23 41.299 25.286 30.755 1.00 0.00 O ATOM 0 H GLY A 23 41.226 21.534 29.327 1.00 0.00 H new ATOM 0 HA2 GLY A 23 41.928 22.798 31.102 1.00 0.00 H new ATOM 0 HA3 GLY A 23 43.299 23.401 30.192 1.00 0.00 H new ATOM 362 N GLU A 24 40.956 24.667 28.623 1.00 0.00 N ATOM 363 CA GLU A 24 40.113 25.819 28.276 1.00 0.00 C ATOM 364 C GLU A 24 38.737 25.776 28.969 1.00 0.00 C ATOM 365 O GLU A 24 38.205 24.704 29.270 1.00 0.00 O ATOM 366 CB GLU A 24 39.992 25.959 26.749 1.00 0.00 C ATOM 367 CG GLU A 24 41.342 26.306 26.110 1.00 0.00 C ATOM 368 CD GLU A 24 41.180 26.995 24.754 1.00 0.00 C ATOM 369 OE1 GLU A 24 40.873 28.213 24.768 1.00 0.00 O ATOM 370 OE2 GLU A 24 41.430 26.371 23.692 1.00 0.00 O ATOM 0 H GLU A 24 41.110 24.024 27.846 1.00 0.00 H new ATOM 0 HA GLU A 24 40.606 26.713 28.657 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.616 25.028 26.325 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.264 26.735 26.510 1.00 0.00 H new ATOM 0 HG2 GLU A 24 41.903 26.956 26.781 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.928 25.395 25.985 1.00 0.00 H new ATOM 377 N THR A 25 38.166 26.949 29.259 1.00 0.00 N ATOM 378 CA THR A 25 37.098 27.130 30.258 1.00 0.00 C ATOM 379 C THR A 25 35.790 27.528 29.558 1.00 0.00 C ATOM 380 O THR A 25 35.813 28.240 28.565 1.00 0.00 O ATOM 381 CB THR A 25 37.540 28.183 31.300 1.00 0.00 C ATOM 382 OG1 THR A 25 38.784 28.808 31.025 1.00 0.00 O ATOM 383 CG2 THR A 25 37.743 27.493 32.634 1.00 0.00 C ATOM 0 H THR A 25 38.436 27.819 28.799 1.00 0.00 H new ATOM 0 HA THR A 25 36.916 26.193 30.785 1.00 0.00 H new ATOM 0 HB THR A 25 36.754 28.938 31.287 1.00 0.00 H new ATOM 0 HG1 THR A 25 38.986 29.458 31.730 1.00 0.00 H new ATOM 0 HG21 THR A 25 38.055 28.225 33.379 1.00 0.00 H new ATOM 0 HG22 THR A 25 36.808 27.030 32.950 1.00 0.00 H new ATOM 0 HG23 THR A 25 38.512 26.727 32.534 1.00 0.00 H new ATOM 391 N ILE A 26 34.616 27.105 30.024 1.00 0.00 N ATOM 392 CA ILE A 26 33.390 27.122 29.187 1.00 0.00 C ATOM 393 C ILE A 26 32.764 28.522 29.018 1.00 0.00 C ATOM 394 O ILE A 26 32.289 28.820 27.922 1.00 0.00 O ATOM 395 CB ILE A 26 32.432 26.006 29.661 1.00 0.00 C ATOM 396 CG1 ILE A 26 32.831 24.594 29.167 1.00 0.00 C ATOM 397 CG2 ILE A 26 30.996 26.242 29.191 1.00 0.00 C ATOM 398 CD1 ILE A 26 34.250 24.114 29.490 1.00 0.00 C ATOM 0 H ILE A 26 34.475 26.746 30.968 1.00 0.00 H new ATOM 0 HA ILE A 26 33.660 26.887 28.158 1.00 0.00 H new ATOM 0 HB ILE A 26 32.503 26.047 30.748 1.00 0.00 H new ATOM 0 HG12 ILE A 26 32.127 23.877 29.590 1.00 0.00 H new ATOM 0 HG13 ILE A 26 32.703 24.566 28.085 1.00 0.00 H new ATOM 0 HG21 ILE A 26 30.359 25.433 29.548 1.00 0.00 H new ATOM 0 HG22 ILE A 26 30.634 27.191 29.588 1.00 0.00 H new ATOM 0 HG23 ILE A 26 30.970 26.271 28.102 1.00 0.00 H new ATOM 0 HD11 ILE A 26 34.396 23.112 29.087 1.00 0.00 H new ATOM 0 HD12 ILE A 26 34.975 24.794 29.043 1.00 0.00 H new ATOM 0 HD13 ILE A 26 34.390 24.094 30.571 1.00 0.00 H new ATOM 410 N LEU A 27 32.834 29.421 30.011 1.00 0.00 N ATOM 411 CA LEU A 27 32.504 30.844 29.793 1.00 0.00 C ATOM 412 C LEU A 27 33.683 31.627 29.186 1.00 0.00 C ATOM 413 O LEU A 27 33.484 32.713 28.650 1.00 0.00 O ATOM 414 CB LEU A 27 31.899 31.519 31.046 1.00 0.00 C ATOM 415 CG LEU A 27 30.357 31.568 31.110 1.00 0.00 C ATOM 416 CD1 LEU A 27 29.756 32.439 30.002 1.00 0.00 C ATOM 417 CD2 LEU A 27 29.700 30.189 31.046 1.00 0.00 C ATOM 0 H LEU A 27 33.113 29.195 30.966 1.00 0.00 H new ATOM 0 HA LEU A 27 31.711 30.869 29.045 1.00 0.00 H new ATOM 0 HB2 LEU A 27 32.263 30.994 31.929 1.00 0.00 H new ATOM 0 HB3 LEU A 27 32.278 32.539 31.103 1.00 0.00 H new ATOM 0 HG LEU A 27 30.144 32.009 32.084 1.00 0.00 H new ATOM 0 HD11 LEU A 27 28.670 32.441 30.090 1.00 0.00 H new ATOM 0 HD12 LEU A 27 30.130 33.458 30.097 1.00 0.00 H new ATOM 0 HD13 LEU A 27 30.040 32.038 29.029 1.00 0.00 H new ATOM 0 HD21 LEU A 27 28.617 30.299 31.096 1.00 0.00 H new ATOM 0 HD22 LEU A 27 29.972 29.699 30.111 1.00 0.00 H new ATOM 0 HD23 LEU A 27 30.042 29.584 31.885 1.00 0.00 H new ATOM 429 N ASP A 28 34.898 31.082 29.219 1.00 0.00 N ATOM 430 CA ASP A 28 36.086 31.660 28.585 1.00 0.00 C ATOM 431 C ASP A 28 36.186 31.323 27.084 1.00 0.00 C ATOM 432 O ASP A 28 36.608 32.176 26.320 1.00 0.00 O ATOM 433 CB ASP A 28 37.334 31.186 29.340 1.00 0.00 C ATOM 434 CG ASP A 28 37.514 31.854 30.715 1.00 0.00 C ATOM 435 OD1 ASP A 28 36.757 31.537 31.665 1.00 0.00 O ATOM 436 OD2 ASP A 28 38.443 32.685 30.869 1.00 0.00 O ATOM 0 H ASP A 28 35.090 30.203 29.700 1.00 0.00 H new ATOM 0 HA ASP A 28 36.006 32.746 28.642 1.00 0.00 H new ATOM 0 HB2 ASP A 28 37.278 30.106 29.475 1.00 0.00 H new ATOM 0 HB3 ASP A 28 38.215 31.386 28.730 1.00 0.00 H new ATOM 441 N ILE A 29 35.718 30.164 26.602 1.00 0.00 N ATOM 442 CA ILE A 29 35.587 29.893 25.154 1.00 0.00 C ATOM 443 C ILE A 29 34.406 30.686 24.588 1.00 0.00 C ATOM 444 O ILE A 29 34.434 31.107 23.434 1.00 0.00 O ATOM 445 CB ILE A 29 35.506 28.376 24.812 1.00 0.00 C ATOM 446 CG1 ILE A 29 36.612 27.522 25.489 1.00 0.00 C ATOM 447 CG2 ILE A 29 35.712 28.232 23.289 1.00 0.00 C ATOM 448 CD1 ILE A 29 36.150 26.098 25.828 1.00 0.00 C ATOM 0 H ILE A 29 35.420 29.390 27.195 1.00 0.00 H new ATOM 0 HA ILE A 29 36.502 30.233 24.669 1.00 0.00 H new ATOM 0 HB ILE A 29 34.539 28.020 25.168 1.00 0.00 H new ATOM 0 HG12 ILE A 29 37.477 27.469 24.828 1.00 0.00 H new ATOM 0 HG13 ILE A 29 36.938 28.019 26.403 1.00 0.00 H new ATOM 0 HG21 ILE A 29 35.661 27.179 23.013 1.00 0.00 H new ATOM 0 HG22 ILE A 29 34.933 28.783 22.763 1.00 0.00 H new ATOM 0 HG23 ILE A 29 36.688 28.632 23.014 1.00 0.00 H new ATOM 0 HD11 ILE A 29 36.968 25.552 26.299 1.00 0.00 H new ATOM 0 HD12 ILE A 29 35.303 26.144 26.513 1.00 0.00 H new ATOM 0 HD13 ILE A 29 35.851 25.585 24.914 1.00 0.00 H new ATOM 460 N ALA A 30 33.411 31.033 25.411 1.00 0.00 N ATOM 461 CA ALA A 30 32.358 31.936 24.971 1.00 0.00 C ATOM 462 C ALA A 30 32.908 33.343 24.692 1.00 0.00 C ATOM 463 O ALA A 30 32.394 34.080 23.851 1.00 0.00 O ATOM 464 CB ALA A 30 31.294 31.995 26.066 1.00 0.00 C ATOM 0 H ALA A 30 33.318 30.704 26.372 1.00 0.00 H new ATOM 0 HA ALA A 30 31.930 31.565 24.040 1.00 0.00 H new ATOM 0 HB1 ALA A 30 30.493 32.667 25.759 1.00 0.00 H new ATOM 0 HB2 ALA A 30 30.887 30.997 26.232 1.00 0.00 H new ATOM 0 HB3 ALA A 30 31.742 32.363 26.989 1.00 0.00 H new ATOM 470 N GLN A 31 33.969 33.697 25.413 1.00 0.00 N ATOM 471 CA GLN A 31 34.631 34.982 25.342 1.00 0.00 C ATOM 472 C GLN A 31 35.668 34.952 24.244 1.00 0.00 C ATOM 473 O GLN A 31 35.538 35.674 23.278 1.00 0.00 O ATOM 474 CB GLN A 31 35.132 35.325 26.757 1.00 0.00 C ATOM 475 CG GLN A 31 36.620 35.303 27.118 1.00 0.00 C ATOM 476 CD GLN A 31 36.934 36.301 28.227 1.00 0.00 C ATOM 477 OE1 GLN A 31 37.218 35.952 29.367 1.00 0.00 O ATOM 478 NE2 GLN A 31 36.887 37.582 27.939 1.00 0.00 N ATOM 0 H GLN A 31 34.403 33.066 26.087 1.00 0.00 H new ATOM 0 HA GLN A 31 33.970 35.799 25.054 1.00 0.00 H new ATOM 0 HB2 GLN A 31 34.768 36.327 26.985 1.00 0.00 H new ATOM 0 HB3 GLN A 31 34.632 34.640 27.442 1.00 0.00 H new ATOM 0 HG2 GLN A 31 36.905 34.300 27.437 1.00 0.00 H new ATOM 0 HG3 GLN A 31 37.214 35.538 26.235 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.652 37.884 26.994 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.086 38.275 28.661 1.00 0.00 H new ATOM 487 N GLY A 32 36.625 34.050 24.304 1.00 0.00 N ATOM 488 CA GLY A 32 37.710 33.981 23.329 1.00 0.00 C ATOM 489 C GLY A 32 37.342 33.420 21.954 1.00 0.00 C ATOM 490 O GLY A 32 38.151 33.536 21.033 1.00 0.00 O ATOM 0 H GLY A 32 36.679 33.337 25.032 1.00 0.00 H new ATOM 0 HA2 GLY A 32 38.114 34.984 23.194 1.00 0.00 H new ATOM 0 HA3 GLY A 32 38.509 33.369 23.747 1.00 0.00 H new ATOM 494 N HIS A 33 36.145 32.849 21.764 1.00 0.00 N ATOM 495 CA HIS A 33 35.565 32.653 20.431 1.00 0.00 C ATOM 496 C HIS A 33 34.570 33.754 20.027 1.00 0.00 C ATOM 497 O HIS A 33 33.924 33.681 18.976 1.00 0.00 O ATOM 498 CB HIS A 33 34.917 31.275 20.356 1.00 0.00 C ATOM 499 CG HIS A 33 35.202 30.627 19.024 1.00 0.00 C ATOM 500 ND1 HIS A 33 34.821 31.119 17.797 1.00 0.00 N ATOM 501 CD2 HIS A 33 35.944 29.500 18.788 1.00 0.00 C ATOM 502 CE1 HIS A 33 35.279 30.289 16.849 1.00 0.00 C ATOM 503 NE2 HIS A 33 35.977 29.284 17.403 1.00 0.00 N ATOM 0 H HIS A 33 35.556 32.512 22.525 1.00 0.00 H new ATOM 0 HA HIS A 33 36.381 32.719 19.711 1.00 0.00 H new ATOM 0 HB2 HIS A 33 35.295 30.645 21.161 1.00 0.00 H new ATOM 0 HB3 HIS A 33 33.840 31.365 20.500 1.00 0.00 H new ATOM 0 HD1 HIS A 33 34.282 31.970 17.636 1.00 0.00 H new ATOM 0 HD2 HIS A 33 36.420 28.885 19.538 1.00 0.00 H new ATOM 0 HE1 HIS A 33 35.110 30.411 15.789 1.00 0.00 H new ATOM 511 N ASN A 34 34.418 34.744 20.907 1.00 0.00 N ATOM 512 CA ASN A 34 33.560 35.917 20.805 1.00 0.00 C ATOM 513 C ASN A 34 32.129 35.556 20.412 1.00 0.00 C ATOM 514 O ASN A 34 31.533 36.188 19.540 1.00 0.00 O ATOM 515 CB ASN A 34 34.234 37.003 19.950 1.00 0.00 C ATOM 516 CG ASN A 34 35.623 37.374 20.445 1.00 0.00 C ATOM 517 OD1 ASN A 34 35.743 37.760 21.694 1.00 0.00 O flip ATOM 518 ND2 ASN A 34 36.604 37.293 19.716 1.00 0.00 N flip ATOM 0 H ASN A 34 34.939 34.742 21.784 1.00 0.00 H new ATOM 0 HA ASN A 34 33.440 36.362 21.793 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.303 36.655 18.919 1.00 0.00 H new ATOM 0 HB3 ASN A 34 33.607 37.894 19.944 1.00 0.00 H new ATOM 0 HD21 ASN A 34 36.496 36.992 18.748 1.00 0.00 H new ATOM 0 HD22 ASN A 34 37.529 37.527 20.077 1.00 0.00 H new ATOM 525 N LEU A 35 31.574 34.548 21.094 1.00 0.00 N ATOM 526 CA LEU A 35 30.187 34.119 20.862 1.00 0.00 C ATOM 527 C LEU A 35 29.218 35.300 21.024 1.00 0.00 C ATOM 528 O LEU A 35 29.373 36.148 21.903 1.00 0.00 O ATOM 529 CB LEU A 35 29.788 32.980 21.838 1.00 0.00 C ATOM 530 CG LEU A 35 30.292 31.592 21.373 1.00 0.00 C ATOM 531 CD1 LEU A 35 30.098 30.461 22.397 1.00 0.00 C ATOM 532 CD2 LEU A 35 29.579 31.179 20.083 1.00 0.00 C ATOM 0 H LEU A 35 32.063 34.013 21.812 1.00 0.00 H new ATOM 0 HA LEU A 35 30.123 33.745 19.840 1.00 0.00 H new ATOM 0 HB2 LEU A 35 30.192 33.196 22.827 1.00 0.00 H new ATOM 0 HB3 LEU A 35 28.703 32.954 21.936 1.00 0.00 H new ATOM 0 HG LEU A 35 31.365 31.719 21.229 1.00 0.00 H new ATOM 0 HD11 LEU A 35 30.480 29.527 21.984 1.00 0.00 H new ATOM 0 HD12 LEU A 35 30.639 30.702 23.312 1.00 0.00 H new ATOM 0 HD13 LEU A 35 29.037 30.351 22.621 1.00 0.00 H new ATOM 0 HD21 LEU A 35 29.941 30.201 19.764 1.00 0.00 H new ATOM 0 HD22 LEU A 35 28.505 31.128 20.261 1.00 0.00 H new ATOM 0 HD23 LEU A 35 29.783 31.913 19.303 1.00 0.00 H new ATOM 544 N ASP A 36 28.207 35.348 20.159 1.00 0.00 N ATOM 545 CA ASP A 36 27.078 36.274 20.246 1.00 0.00 C ATOM 546 C ASP A 36 26.184 35.880 21.404 1.00 0.00 C ATOM 547 O ASP A 36 25.240 35.096 21.296 1.00 0.00 O ATOM 548 CB ASP A 36 26.367 36.309 18.890 1.00 0.00 C ATOM 549 CG ASP A 36 25.148 37.230 18.888 1.00 0.00 C ATOM 550 OD1 ASP A 36 25.222 38.346 19.455 1.00 0.00 O ATOM 551 OD2 ASP A 36 24.091 36.822 18.352 1.00 0.00 O ATOM 0 H ASP A 36 28.148 34.725 19.354 1.00 0.00 H new ATOM 0 HA ASP A 36 27.408 37.291 20.457 1.00 0.00 H new ATOM 0 HB2 ASP A 36 27.069 36.640 18.125 1.00 0.00 H new ATOM 0 HB3 ASP A 36 26.055 35.300 18.621 1.00 0.00 H new ATOM 556 N MET A 37 26.617 36.366 22.558 1.00 0.00 N ATOM 557 CA MET A 37 26.199 35.916 23.856 1.00 0.00 C ATOM 558 C MET A 37 26.511 37.031 24.862 1.00 0.00 C ATOM 559 O MET A 37 27.554 37.687 24.830 1.00 0.00 O ATOM 560 CB MET A 37 26.877 34.556 24.127 1.00 0.00 C ATOM 561 CG MET A 37 28.283 34.601 24.736 1.00 0.00 C ATOM 562 SD MET A 37 28.427 34.979 26.510 1.00 0.00 S ATOM 563 CE MET A 37 27.472 33.648 27.280 1.00 0.00 C ATOM 0 H MET A 37 27.302 37.120 22.605 1.00 0.00 H new ATOM 0 HA MET A 37 25.128 35.733 23.939 1.00 0.00 H new ATOM 0 HB2 MET A 37 26.235 33.982 24.794 1.00 0.00 H new ATOM 0 HB3 MET A 37 26.930 34.008 23.186 1.00 0.00 H new ATOM 0 HG2 MET A 37 28.755 33.635 24.560 1.00 0.00 H new ATOM 0 HG3 MET A 37 28.862 35.344 24.187 1.00 0.00 H new ATOM 0 HE1 MET A 37 27.602 33.686 28.362 1.00 0.00 H new ATOM 0 HE2 MET A 37 26.416 33.770 27.037 1.00 0.00 H new ATOM 0 HE3 MET A 37 27.822 32.686 26.906 1.00 0.00 H new ATOM 573 N GLU A 38 25.535 37.308 25.703 1.00 0.00 N ATOM 574 CA GLU A 38 25.632 38.259 26.816 1.00 0.00 C ATOM 575 C GLU A 38 26.369 37.619 28.011 1.00 0.00 C ATOM 576 O GLU A 38 25.865 36.671 28.619 1.00 0.00 O ATOM 577 CB GLU A 38 24.215 38.729 27.188 1.00 0.00 C ATOM 578 CG GLU A 38 23.496 39.476 26.051 1.00 0.00 C ATOM 579 CD GLU A 38 24.249 40.741 25.621 1.00 0.00 C ATOM 580 OE1 GLU A 38 24.371 41.676 26.442 1.00 0.00 O ATOM 581 OE2 GLU A 38 24.745 40.805 24.470 1.00 0.00 O ATOM 0 H GLU A 38 24.617 36.868 25.637 1.00 0.00 H new ATOM 0 HA GLU A 38 26.217 39.129 26.520 1.00 0.00 H new ATOM 0 HB2 GLU A 38 23.618 37.864 27.477 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.274 39.381 28.059 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.387 38.811 25.194 1.00 0.00 H new ATOM 0 HG3 GLU A 38 22.491 39.746 26.375 1.00 0.00 H new ATOM 588 N GLY A 39 27.564 38.123 28.336 1.00 0.00 N ATOM 589 CA GLY A 39 28.560 37.486 29.211 1.00 0.00 C ATOM 590 C GLY A 39 28.068 37.098 30.608 1.00 0.00 C ATOM 591 O GLY A 39 28.077 37.913 31.531 1.00 0.00 O ATOM 0 H GLY A 39 27.880 39.026 27.982 1.00 0.00 H new ATOM 0 HA2 GLY A 39 28.931 36.589 28.715 1.00 0.00 H new ATOM 0 HA3 GLY A 39 29.407 38.164 29.320 1.00 0.00 H new ATOM 595 N ALA A 40 27.683 35.828 30.784 1.00 0.00 N ATOM 596 CA ALA A 40 27.129 35.333 32.046 1.00 0.00 C ATOM 597 C ALA A 40 28.176 35.203 33.171 1.00 0.00 C ATOM 598 O ALA A 40 27.836 35.402 34.333 1.00 0.00 O ATOM 599 CB ALA A 40 26.377 34.021 31.777 1.00 0.00 C ATOM 0 H ALA A 40 27.747 35.117 30.055 1.00 0.00 H new ATOM 0 HA ALA A 40 26.427 36.075 32.426 1.00 0.00 H new ATOM 0 HB1 ALA A 40 25.960 33.643 32.710 1.00 0.00 H new ATOM 0 HB2 ALA A 40 25.571 34.203 31.067 1.00 0.00 H new ATOM 0 HB3 ALA A 40 27.066 33.285 31.363 1.00 0.00 H new ATOM 605 N CYS A 41 29.432 34.886 32.835 1.00 0.00 N ATOM 606 CA CYS A 41 30.654 35.257 33.566 1.00 0.00 C ATOM 607 C CYS A 41 31.869 34.998 32.647 1.00 0.00 C ATOM 608 O CYS A 41 31.796 35.263 31.445 1.00 0.00 O ATOM 609 CB CYS A 41 30.794 34.544 34.928 1.00 0.00 C ATOM 610 SG CYS A 41 32.148 35.130 35.977 1.00 0.00 S ATOM 0 H CYS A 41 29.636 34.334 32.002 1.00 0.00 H new ATOM 0 HA CYS A 41 30.598 36.316 33.817 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.858 34.657 35.476 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.932 33.478 34.748 1.00 0.00 H new ATOM 615 N GLY A 42 32.958 34.431 33.174 1.00 0.00 N ATOM 616 CA GLY A 42 34.287 34.405 32.549 1.00 0.00 C ATOM 617 C GLY A 42 35.387 35.049 33.404 1.00 0.00 C ATOM 618 O GLY A 42 36.429 35.433 32.879 1.00 0.00 O ATOM 0 H GLY A 42 32.940 33.961 34.079 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.560 33.370 32.341 1.00 0.00 H new ATOM 0 HA3 GLY A 42 34.237 34.920 31.590 1.00 0.00 H new ATOM 622 N GLY A 43 35.193 35.147 34.723 1.00 0.00 N ATOM 623 CA GLY A 43 36.251 35.436 35.696 1.00 0.00 C ATOM 624 C GLY A 43 36.637 36.907 35.860 1.00 0.00 C ATOM 625 O GLY A 43 37.625 37.182 36.538 1.00 0.00 O ATOM 0 H GLY A 43 34.276 35.025 35.153 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.936 35.055 36.667 1.00 0.00 H new ATOM 0 HA3 GLY A 43 37.142 34.878 35.408 1.00 0.00 H new ATOM 629 N SER A 44 35.908 37.856 35.270 1.00 0.00 N ATOM 630 CA SER A 44 36.214 39.285 35.410 1.00 0.00 C ATOM 631 C SER A 44 35.687 39.857 36.733 1.00 0.00 C ATOM 632 O SER A 44 34.602 39.483 37.190 1.00 0.00 O ATOM 633 CB SER A 44 35.657 40.068 34.222 1.00 0.00 C ATOM 634 OG SER A 44 36.163 41.389 34.221 1.00 0.00 O ATOM 0 H SER A 44 35.095 37.661 34.686 1.00 0.00 H new ATOM 0 HA SER A 44 37.299 39.389 35.423 1.00 0.00 H new ATOM 0 HB2 SER A 44 35.925 39.568 33.291 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.568 40.089 34.270 1.00 0.00 H new ATOM 0 HG SER A 44 35.799 41.878 33.454 1.00 0.00 H new ATOM 640 N CYS A 45 36.413 40.813 37.323 1.00 0.00 N ATOM 641 CA CYS A 45 35.980 41.595 38.487 1.00 0.00 C ATOM 642 C CYS A 45 35.535 40.688 39.665 1.00 0.00 C ATOM 643 O CYS A 45 36.232 39.727 40.019 1.00 0.00 O ATOM 644 CB CYS A 45 34.947 42.623 37.972 1.00 0.00 C ATOM 645 SG CYS A 45 34.600 43.926 39.188 1.00 0.00 S ATOM 0 H CYS A 45 37.344 41.071 36.995 1.00 0.00 H new ATOM 0 HA CYS A 45 36.797 42.155 38.942 1.00 0.00 H new ATOM 0 HB2 CYS A 45 35.318 43.077 37.053 1.00 0.00 H new ATOM 0 HB3 CYS A 45 34.020 42.108 37.721 1.00 0.00 H new ATOM 0 HG CYS A 45 33.496 43.650 39.816 1.00 0.00 H new ATOM 651 N ALA A 46 34.375 40.956 40.271 1.00 0.00 N ATOM 652 CA ALA A 46 33.795 40.195 41.385 1.00 0.00 C ATOM 653 C ALA A 46 33.093 38.875 40.975 1.00 0.00 C ATOM 654 O ALA A 46 32.366 38.294 41.784 1.00 0.00 O ATOM 655 CB ALA A 46 32.867 41.142 42.158 1.00 0.00 C ATOM 0 H ALA A 46 33.789 41.741 39.988 1.00 0.00 H new ATOM 0 HA ALA A 46 34.608 39.847 42.022 1.00 0.00 H new ATOM 0 HB1 ALA A 46 32.418 40.608 42.995 1.00 0.00 H new ATOM 0 HB2 ALA A 46 33.442 41.988 42.534 1.00 0.00 H new ATOM 0 HB3 ALA A 46 32.081 41.503 41.494 1.00 0.00 H new ATOM 661 N CYS A 47 33.296 38.407 39.734 1.00 0.00 N ATOM 662 CA CYS A 47 32.605 37.274 39.105 1.00 0.00 C ATOM 663 C CYS A 47 31.069 37.419 39.001 1.00 0.00 C ATOM 664 O CYS A 47 30.447 38.289 39.623 1.00 0.00 O ATOM 665 CB CYS A 47 33.057 35.949 39.736 1.00 0.00 C ATOM 666 SG CYS A 47 34.270 35.008 38.790 1.00 0.00 S ATOM 0 H CYS A 47 33.983 38.832 39.111 1.00 0.00 H new ATOM 0 HA CYS A 47 32.914 37.271 38.060 1.00 0.00 H new ATOM 0 HB2 CYS A 47 33.475 36.160 40.720 1.00 0.00 H new ATOM 0 HB3 CYS A 47 32.178 35.323 39.891 1.00 0.00 H new ATOM 671 N SER A 48 30.444 36.585 38.167 1.00 0.00 N ATOM 672 CA SER A 48 29.008 36.657 37.860 1.00 0.00 C ATOM 673 C SER A 48 28.366 35.266 37.723 1.00 0.00 C ATOM 674 O SER A 48 28.933 34.266 38.151 1.00 0.00 O ATOM 675 CB SER A 48 28.826 37.524 36.608 1.00 0.00 C ATOM 676 OG SER A 48 27.498 38.012 36.544 1.00 0.00 O ATOM 0 H SER A 48 30.924 35.830 37.678 1.00 0.00 H new ATOM 0 HA SER A 48 28.481 37.121 38.693 1.00 0.00 H new ATOM 0 HB2 SER A 48 29.528 38.358 36.628 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.051 36.940 35.716 1.00 0.00 H new ATOM 0 HG SER A 48 27.391 38.566 35.743 1.00 0.00 H new ATOM 682 N THR A 49 27.161 35.199 37.152 1.00 0.00 N ATOM 683 CA THR A 49 26.280 34.011 37.135 1.00 0.00 C ATOM 684 C THR A 49 26.851 32.741 36.497 1.00 0.00 C ATOM 685 O THR A 49 26.333 31.660 36.755 1.00 0.00 O ATOM 686 CB THR A 49 24.953 34.315 36.431 1.00 0.00 C ATOM 687 OG1 THR A 49 25.161 34.614 35.071 1.00 0.00 O ATOM 688 CG2 THR A 49 24.209 35.488 37.060 1.00 0.00 C ATOM 0 H THR A 49 26.749 35.997 36.668 1.00 0.00 H new ATOM 0 HA THR A 49 26.154 33.799 38.197 1.00 0.00 H new ATOM 0 HB THR A 49 24.349 33.414 36.539 1.00 0.00 H new ATOM 0 HG1 THR A 49 26.112 34.792 34.917 1.00 0.00 H new ATOM 0 HG21 THR A 49 23.277 35.659 36.521 1.00 0.00 H new ATOM 0 HG22 THR A 49 23.989 35.262 38.103 1.00 0.00 H new ATOM 0 HG23 THR A 49 24.828 36.383 37.005 1.00 0.00 H new ATOM 696 N CYS A 50 27.878 32.858 35.647 1.00 0.00 N ATOM 697 CA CYS A 50 28.649 31.759 35.047 1.00 0.00 C ATOM 698 C CYS A 50 27.823 30.656 34.360 1.00 0.00 C ATOM 699 O CYS A 50 28.284 29.525 34.205 1.00 0.00 O ATOM 700 CB CYS A 50 29.614 31.218 36.101 1.00 0.00 C ATOM 701 SG CYS A 50 31.109 30.388 35.529 1.00 0.00 S ATOM 0 H CYS A 50 28.213 33.772 35.342 1.00 0.00 H new ATOM 0 HA CYS A 50 29.203 32.176 34.206 1.00 0.00 H new ATOM 0 HB2 CYS A 50 29.916 32.050 36.737 1.00 0.00 H new ATOM 0 HB3 CYS A 50 29.064 30.519 36.731 1.00 0.00 H new ATOM 706 N HIS A 51 26.600 30.965 33.923 1.00 0.00 N ATOM 707 CA HIS A 51 25.569 29.937 33.832 1.00 0.00 C ATOM 708 C HIS A 51 25.611 29.275 32.455 1.00 0.00 C ATOM 709 O HIS A 51 25.254 29.870 31.441 1.00 0.00 O ATOM 710 CB HIS A 51 24.199 30.572 34.137 1.00 0.00 C ATOM 711 CG HIS A 51 23.046 29.603 34.302 1.00 0.00 C ATOM 712 ND1 HIS A 51 22.213 29.530 35.396 1.00 0.00 N ATOM 713 CD2 HIS A 51 22.561 28.712 33.379 1.00 0.00 C ATOM 714 CE1 HIS A 51 21.244 28.639 35.134 1.00 0.00 C ATOM 715 NE2 HIS A 51 21.419 28.095 33.915 1.00 0.00 N ATOM 0 H HIS A 51 26.306 31.898 33.633 1.00 0.00 H new ATOM 0 HA HIS A 51 25.747 29.152 34.567 1.00 0.00 H new ATOM 0 HB2 HIS A 51 24.288 31.161 35.050 1.00 0.00 H new ATOM 0 HB3 HIS A 51 23.954 31.266 33.333 1.00 0.00 H new ATOM 0 HD2 HIS A 51 22.985 28.518 32.405 1.00 0.00 H new ATOM 0 HE1 HIS A 51 20.436 28.393 35.807 1.00 0.00 H new ATOM 0 HE2 HIS A 51 20.841 27.381 33.472 1.00 0.00 H new ATOM 723 N VAL A 52 25.999 28.004 32.455 1.00 0.00 N ATOM 724 CA VAL A 52 25.802 27.041 31.367 1.00 0.00 C ATOM 725 C VAL A 52 24.898 25.925 31.826 1.00 0.00 C ATOM 726 O VAL A 52 24.826 25.607 33.004 1.00 0.00 O ATOM 727 CB VAL A 52 27.109 26.392 30.866 1.00 0.00 C ATOM 728 CG1 VAL A 52 27.573 27.064 29.597 1.00 0.00 C ATOM 729 CG2 VAL A 52 28.285 26.388 31.850 1.00 0.00 C ATOM 0 H VAL A 52 26.484 27.593 33.252 1.00 0.00 H new ATOM 0 HA VAL A 52 25.368 27.614 30.547 1.00 0.00 H new ATOM 0 HB VAL A 52 26.834 25.348 30.714 1.00 0.00 H new ATOM 0 HG11 VAL A 52 28.496 26.596 29.254 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.807 26.960 28.829 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.752 28.122 29.790 1.00 0.00 H new ATOM 0 HG21 VAL A 52 29.146 25.906 31.386 1.00 0.00 H new ATOM 0 HG22 VAL A 52 28.542 27.414 32.114 1.00 0.00 H new ATOM 0 HG23 VAL A 52 28.004 25.841 32.750 1.00 0.00 H new ATOM 739 N ILE A 53 24.284 25.243 30.874 1.00 0.00 N ATOM 740 CA ILE A 53 23.709 23.937 31.100 1.00 0.00 C ATOM 741 C ILE A 53 24.292 22.944 30.100 1.00 0.00 C ATOM 742 O ILE A 53 24.411 23.255 28.926 1.00 0.00 O ATOM 743 CB ILE A 53 22.179 24.060 31.136 1.00 0.00 C ATOM 744 CG1 ILE A 53 21.651 22.660 31.465 1.00 0.00 C ATOM 745 CG2 ILE A 53 21.610 24.712 29.865 1.00 0.00 C ATOM 746 CD1 ILE A 53 20.452 22.211 30.695 1.00 0.00 C ATOM 0 H ILE A 53 24.172 25.585 29.920 1.00 0.00 H new ATOM 0 HA ILE A 53 23.976 23.526 32.074 1.00 0.00 H new ATOM 0 HB ILE A 53 21.837 24.751 31.906 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.454 21.943 31.298 1.00 0.00 H new ATOM 0 HG13 ILE A 53 21.409 22.626 32.527 1.00 0.00 H new ATOM 0 HG21 ILE A 53 20.525 24.775 29.943 1.00 0.00 H new ATOM 0 HG22 ILE A 53 22.024 25.714 29.753 1.00 0.00 H new ATOM 0 HG23 ILE A 53 21.877 24.110 28.996 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.170 21.207 31.013 1.00 0.00 H new ATOM 0 HD12 ILE A 53 19.624 22.896 30.879 1.00 0.00 H new ATOM 0 HD13 ILE A 53 20.686 22.202 29.630 1.00 0.00 H new ATOM 758 N VAL A 54 24.616 21.733 30.546 1.00 0.00 N ATOM 759 CA VAL A 54 25.229 20.670 29.754 1.00 0.00 C ATOM 760 C VAL A 54 24.224 19.657 29.211 1.00 0.00 C ATOM 761 O VAL A 54 23.149 19.446 29.774 1.00 0.00 O ATOM 762 CB VAL A 54 26.320 20.016 30.616 1.00 0.00 C ATOM 763 CG1 VAL A 54 25.783 19.075 31.637 1.00 0.00 C ATOM 764 CG2 VAL A 54 27.397 19.222 29.859 1.00 0.00 C ATOM 0 H VAL A 54 24.451 21.453 31.513 1.00 0.00 H new ATOM 0 HA VAL A 54 25.671 21.104 28.857 1.00 0.00 H new ATOM 0 HB VAL A 54 26.773 20.900 31.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.607 18.650 32.209 1.00 0.00 H new ATOM 0 HG12 VAL A 54 25.113 19.611 32.309 1.00 0.00 H new ATOM 0 HG13 VAL A 54 25.235 18.274 31.141 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.111 18.808 30.571 1.00 0.00 H new ATOM 0 HG22 VAL A 54 26.927 18.411 29.302 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.917 19.884 29.166 1.00 0.00 H new ATOM 774 N ASP A 55 24.632 18.991 28.134 1.00 0.00 N ATOM 775 CA ASP A 55 24.039 17.741 27.670 1.00 0.00 C ATOM 776 C ASP A 55 23.978 16.726 28.845 1.00 0.00 C ATOM 777 O ASP A 55 25.004 16.541 29.522 1.00 0.00 O ATOM 778 CB ASP A 55 25.046 17.201 26.653 1.00 0.00 C ATOM 779 CG ASP A 55 24.576 16.013 25.809 1.00 0.00 C ATOM 780 OD1 ASP A 55 23.654 15.276 26.219 1.00 0.00 O ATOM 781 OD2 ASP A 55 25.135 15.822 24.705 1.00 0.00 O ATOM 0 H ASP A 55 25.401 19.313 27.547 1.00 0.00 H new ATOM 0 HA ASP A 55 23.036 17.887 27.270 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.323 18.012 25.980 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.950 16.907 27.187 1.00 0.00 H new ATOM 786 N PRO A 56 22.882 15.966 29.031 1.00 0.00 N ATOM 787 CA PRO A 56 22.820 14.871 30.005 1.00 0.00 C ATOM 788 C PRO A 56 23.902 13.799 29.819 1.00 0.00 C ATOM 789 O PRO A 56 24.237 13.103 30.779 1.00 0.00 O ATOM 790 CB PRO A 56 21.414 14.280 29.858 1.00 0.00 C ATOM 791 CG PRO A 56 20.589 15.481 29.405 1.00 0.00 C ATOM 792 CD PRO A 56 21.558 16.227 28.488 1.00 0.00 C ATOM 0 HA PRO A 56 23.013 15.255 31.007 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.389 13.473 29.126 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.047 13.869 30.799 1.00 0.00 H new ATOM 0 HG2 PRO A 56 19.686 15.176 28.877 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.273 16.097 30.247 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.478 15.873 27.460 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.342 17.295 28.474 1.00 0.00 H new ATOM 800 N ASP A 57 24.488 13.701 28.619 1.00 0.00 N ATOM 801 CA ASP A 57 25.570 12.767 28.299 1.00 0.00 C ATOM 802 C ASP A 57 26.910 13.182 28.915 1.00 0.00 C ATOM 803 O ASP A 57 27.614 12.326 29.460 1.00 0.00 O ATOM 804 CB ASP A 57 25.735 12.648 26.774 1.00 0.00 C ATOM 805 CG ASP A 57 25.052 11.407 26.205 1.00 0.00 C ATOM 806 OD1 ASP A 57 25.517 10.281 26.502 1.00 0.00 O ATOM 807 OD2 ASP A 57 24.073 11.551 25.431 1.00 0.00 O ATOM 0 H ASP A 57 24.215 14.283 27.827 1.00 0.00 H new ATOM 0 HA ASP A 57 25.289 11.805 28.728 1.00 0.00 H new ATOM 0 HB2 ASP A 57 25.322 13.537 26.297 1.00 0.00 H new ATOM 0 HB3 ASP A 57 26.797 12.619 26.528 1.00 0.00 H new ATOM 812 N TYR A 58 27.306 14.461 28.828 1.00 0.00 N ATOM 813 CA TYR A 58 28.645 14.872 29.212 1.00 0.00 C ATOM 814 C TYR A 58 28.745 15.364 30.652 1.00 0.00 C ATOM 815 O TYR A 58 29.809 15.210 31.244 1.00 0.00 O ATOM 816 CB TYR A 58 29.126 15.917 28.224 1.00 0.00 C ATOM 817 CG TYR A 58 29.358 15.367 26.833 1.00 0.00 C ATOM 818 CD1 TYR A 58 30.573 14.745 26.472 1.00 0.00 C ATOM 819 CD2 TYR A 58 28.308 15.440 25.908 1.00 0.00 C ATOM 820 CE1 TYR A 58 30.707 14.169 25.189 1.00 0.00 C ATOM 821 CE2 TYR A 58 28.444 14.893 24.626 1.00 0.00 C ATOM 822 CZ TYR A 58 29.634 14.231 24.269 1.00 0.00 C ATOM 823 OH TYR A 58 29.701 13.623 23.056 1.00 0.00 O ATOM 0 H TYR A 58 26.712 15.220 28.494 1.00 0.00 H new ATOM 0 HA TYR A 58 29.293 13.996 29.178 1.00 0.00 H new ATOM 0 HB2 TYR A 58 28.392 16.721 28.171 1.00 0.00 H new ATOM 0 HB3 TYR A 58 30.053 16.355 28.593 1.00 0.00 H new ATOM 0 HD1 TYR A 58 31.395 14.710 27.172 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.383 15.924 26.187 1.00 0.00 H new ATOM 0 HE1 TYR A 58 31.629 13.681 24.910 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.638 14.979 23.913 1.00 0.00 H new ATOM 0 HH TYR A 58 28.866 13.777 22.566 1.00 0.00 H new ATOM 833 N TYR A 59 27.660 15.868 31.261 1.00 0.00 N ATOM 834 CA TYR A 59 27.694 16.102 32.722 1.00 0.00 C ATOM 835 C TYR A 59 28.041 14.820 33.463 1.00 0.00 C ATOM 836 O TYR A 59 28.681 14.852 34.513 1.00 0.00 O ATOM 837 CB TYR A 59 26.339 16.494 33.333 1.00 0.00 C ATOM 838 CG TYR A 59 26.352 17.626 34.371 1.00 0.00 C ATOM 839 CD1 TYR A 59 27.336 18.645 34.371 1.00 0.00 C ATOM 840 CD2 TYR A 59 25.382 17.627 35.392 1.00 0.00 C ATOM 841 CE1 TYR A 59 27.416 19.554 35.433 1.00 0.00 C ATOM 842 CE2 TYR A 59 25.436 18.565 36.444 1.00 0.00 C ATOM 843 CZ TYR A 59 26.476 19.519 36.482 1.00 0.00 C ATOM 844 OH TYR A 59 26.559 20.432 37.484 1.00 0.00 O ATOM 0 H TYR A 59 26.786 16.113 30.796 1.00 0.00 H new ATOM 0 HA TYR A 59 28.422 16.905 32.832 1.00 0.00 H new ATOM 0 HB2 TYR A 59 25.671 16.784 32.522 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.908 15.609 33.800 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.029 18.721 33.546 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.585 16.899 35.369 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.207 20.290 35.448 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.684 18.553 37.219 1.00 0.00 H new ATOM 0 HH TYR A 59 26.514 19.973 38.349 1.00 0.00 H new ATOM 854 N ASP A 60 27.542 13.689 32.956 1.00 0.00 N ATOM 855 CA ASP A 60 27.474 12.483 33.766 1.00 0.00 C ATOM 856 C ASP A 60 28.850 11.799 33.926 1.00 0.00 C ATOM 857 O ASP A 60 29.021 10.802 34.629 1.00 0.00 O ATOM 858 CB ASP A 60 26.473 11.515 33.153 1.00 0.00 C ATOM 859 CG ASP A 60 25.986 10.472 34.165 1.00 0.00 C ATOM 860 OD1 ASP A 60 25.437 10.864 35.223 1.00 0.00 O ATOM 861 OD2 ASP A 60 26.151 9.254 33.928 1.00 0.00 O ATOM 0 H ASP A 60 27.187 13.589 32.005 1.00 0.00 H new ATOM 0 HA ASP A 60 27.148 12.774 34.765 1.00 0.00 H new ATOM 0 HB2 ASP A 60 25.619 12.073 32.768 1.00 0.00 H new ATOM 0 HB3 ASP A 60 26.932 11.009 32.304 1.00 0.00 H new ATOM 866 N ALA A 61 29.828 12.332 33.195 1.00 0.00 N ATOM 867 CA ALA A 61 31.232 11.960 33.185 1.00 0.00 C ATOM 868 C ALA A 61 32.122 13.027 33.852 1.00 0.00 C ATOM 869 O ALA A 61 33.347 12.877 33.875 1.00 0.00 O ATOM 870 CB ALA A 61 31.599 11.729 31.719 1.00 0.00 C ATOM 0 H ALA A 61 29.638 13.095 32.545 1.00 0.00 H new ATOM 0 HA ALA A 61 31.401 11.058 33.773 1.00 0.00 H new ATOM 0 HB1 ALA A 61 32.649 11.445 31.647 1.00 0.00 H new ATOM 0 HB2 ALA A 61 30.979 10.932 31.310 1.00 0.00 H new ATOM 0 HB3 ALA A 61 31.432 12.646 31.153 1.00 0.00 H new ATOM 876 N LEU A 62 31.517 14.107 34.361 1.00 0.00 N ATOM 877 CA LEU A 62 32.206 15.306 34.856 1.00 0.00 C ATOM 878 C LEU A 62 32.029 15.539 36.374 1.00 0.00 C ATOM 879 O LEU A 62 30.951 15.276 36.914 1.00 0.00 O ATOM 880 CB LEU A 62 31.691 16.533 34.077 1.00 0.00 C ATOM 881 CG LEU A 62 32.285 16.758 32.676 1.00 0.00 C ATOM 882 CD1 LEU A 62 31.557 17.944 32.031 1.00 0.00 C ATOM 883 CD2 LEU A 62 33.775 17.101 32.735 1.00 0.00 C ATOM 0 H LEU A 62 30.502 14.173 34.442 1.00 0.00 H new ATOM 0 HA LEU A 62 33.273 15.155 34.694 1.00 0.00 H new ATOM 0 HB2 LEU A 62 30.609 16.444 33.978 1.00 0.00 H new ATOM 0 HB3 LEU A 62 31.885 17.423 34.676 1.00 0.00 H new ATOM 0 HG LEU A 62 32.163 15.838 32.104 1.00 0.00 H new ATOM 0 HD11 LEU A 62 31.963 18.122 31.035 1.00 0.00 H new ATOM 0 HD12 LEU A 62 30.493 17.720 31.955 1.00 0.00 H new ATOM 0 HD13 LEU A 62 31.697 18.834 32.644 1.00 0.00 H new ATOM 0 HD21 LEU A 62 34.154 17.252 31.724 1.00 0.00 H new ATOM 0 HD22 LEU A 62 33.916 18.013 33.315 1.00 0.00 H new ATOM 0 HD23 LEU A 62 34.318 16.283 33.208 1.00 0.00 H new ATOM 895 N PRO A 63 33.044 16.104 37.056 1.00 0.00 N ATOM 896 CA PRO A 63 32.939 16.587 38.434 1.00 0.00 C ATOM 897 C PRO A 63 32.208 17.941 38.528 1.00 0.00 C ATOM 898 O PRO A 63 31.974 18.629 37.527 1.00 0.00 O ATOM 899 CB PRO A 63 34.392 16.691 38.915 1.00 0.00 C ATOM 900 CG PRO A 63 35.119 17.116 37.641 1.00 0.00 C ATOM 901 CD PRO A 63 34.392 16.334 36.555 1.00 0.00 C ATOM 0 HA PRO A 63 32.345 15.915 39.053 1.00 0.00 H new ATOM 0 HB2 PRO A 63 34.506 17.424 39.714 1.00 0.00 H new ATOM 0 HB3 PRO A 63 34.764 15.741 39.299 1.00 0.00 H new ATOM 0 HG2 PRO A 63 35.052 18.192 37.478 1.00 0.00 H new ATOM 0 HG3 PRO A 63 36.179 16.865 37.678 1.00 0.00 H new ATOM 0 HD2 PRO A 63 34.370 16.894 35.620 1.00 0.00 H new ATOM 0 HD3 PRO A 63 34.898 15.390 36.350 1.00 0.00 H new ATOM 909 N GLU A 64 31.872 18.335 39.758 1.00 0.00 N ATOM 910 CA GLU A 64 31.186 19.588 40.108 1.00 0.00 C ATOM 911 C GLU A 64 32.021 20.477 41.065 1.00 0.00 C ATOM 912 O GLU A 64 33.008 20.002 41.642 1.00 0.00 O ATOM 913 CB GLU A 64 29.800 19.252 40.690 1.00 0.00 C ATOM 914 CG GLU A 64 28.853 18.727 39.606 1.00 0.00 C ATOM 915 CD GLU A 64 27.516 18.293 40.205 1.00 0.00 C ATOM 916 OE1 GLU A 64 26.641 19.157 40.452 1.00 0.00 O ATOM 917 OE2 GLU A 64 27.330 17.069 40.418 1.00 0.00 O ATOM 0 H GLU A 64 32.079 17.765 40.578 1.00 0.00 H new ATOM 0 HA GLU A 64 31.060 20.182 39.203 1.00 0.00 H new ATOM 0 HB2 GLU A 64 29.905 18.505 41.477 1.00 0.00 H new ATOM 0 HB3 GLU A 64 29.371 20.142 41.151 1.00 0.00 H new ATOM 0 HG2 GLU A 64 28.685 19.503 38.859 1.00 0.00 H new ATOM 0 HG3 GLU A 64 29.315 17.884 39.092 1.00 0.00 H new ATOM 924 N PRO A 65 31.677 21.771 41.237 1.00 0.00 N ATOM 925 CA PRO A 65 32.522 22.759 41.914 1.00 0.00 C ATOM 926 C PRO A 65 32.453 22.733 43.440 1.00 0.00 C ATOM 927 O PRO A 65 31.599 22.083 44.048 1.00 0.00 O ATOM 928 CB PRO A 65 32.105 24.142 41.385 1.00 0.00 C ATOM 929 CG PRO A 65 31.267 23.807 40.164 1.00 0.00 C ATOM 930 CD PRO A 65 30.622 22.493 40.548 1.00 0.00 C ATOM 0 HA PRO A 65 33.561 22.517 41.689 1.00 0.00 H new ATOM 0 HB2 PRO A 65 31.533 24.701 42.125 1.00 0.00 H new ATOM 0 HB3 PRO A 65 32.970 24.752 41.125 1.00 0.00 H new ATOM 0 HG2 PRO A 65 30.524 24.578 39.960 1.00 0.00 H new ATOM 0 HG3 PRO A 65 31.880 23.710 39.268 1.00 0.00 H new ATOM 0 HD2 PRO A 65 29.757 22.647 41.193 1.00 0.00 H new ATOM 0 HD3 PRO A 65 30.273 21.948 39.671 1.00 0.00 H new ATOM 938 N GLU A 66 33.320 23.540 44.051 1.00 0.00 N ATOM 939 CA GLU A 66 33.131 24.001 45.428 1.00 0.00 C ATOM 940 C GLU A 66 31.757 24.657 45.611 1.00 0.00 C ATOM 941 O GLU A 66 31.217 25.301 44.708 1.00 0.00 O ATOM 942 CB GLU A 66 34.247 24.983 45.830 1.00 0.00 C ATOM 943 CG GLU A 66 35.500 24.195 46.206 1.00 0.00 C ATOM 944 CD GLU A 66 36.719 25.066 46.516 1.00 0.00 C ATOM 945 OE1 GLU A 66 36.674 25.875 47.472 1.00 0.00 O ATOM 946 OE2 GLU A 66 37.759 24.895 45.830 1.00 0.00 O ATOM 0 H GLU A 66 34.169 23.892 43.609 1.00 0.00 H new ATOM 0 HA GLU A 66 33.180 23.128 46.079 1.00 0.00 H new ATOM 0 HB2 GLU A 66 34.464 25.662 45.006 1.00 0.00 H new ATOM 0 HB3 GLU A 66 33.923 25.596 46.671 1.00 0.00 H new ATOM 0 HG2 GLU A 66 35.279 23.576 47.076 1.00 0.00 H new ATOM 0 HG3 GLU A 66 35.749 23.519 45.388 1.00 0.00 H new ATOM 953 N ASP A 67 31.209 24.514 46.813 1.00 0.00 N ATOM 954 CA ASP A 67 29.852 24.931 47.165 1.00 0.00 C ATOM 955 C ASP A 67 29.610 26.446 47.056 1.00 0.00 C ATOM 956 O ASP A 67 28.463 26.881 47.014 1.00 0.00 O ATOM 957 CB ASP A 67 29.570 24.409 48.577 1.00 0.00 C ATOM 958 CG ASP A 67 28.113 24.552 49.004 1.00 0.00 C ATOM 959 OD1 ASP A 67 27.240 23.852 48.436 1.00 0.00 O ATOM 960 OD2 ASP A 67 27.846 25.296 49.976 1.00 0.00 O ATOM 0 H ASP A 67 31.710 24.092 47.595 1.00 0.00 H new ATOM 0 HA ASP A 67 29.157 24.505 46.441 1.00 0.00 H new ATOM 0 HB2 ASP A 67 29.853 23.358 48.629 1.00 0.00 H new ATOM 0 HB3 ASP A 67 30.201 24.945 49.286 1.00 0.00 H new ATOM 965 N ASP A 68 30.680 27.245 47.039 1.00 0.00 N ATOM 966 CA ASP A 68 30.713 28.689 46.780 1.00 0.00 C ATOM 967 C ASP A 68 30.812 29.032 45.291 1.00 0.00 C ATOM 968 O ASP A 68 30.271 30.053 44.863 1.00 0.00 O ATOM 969 CB ASP A 68 31.911 29.246 47.561 1.00 0.00 C ATOM 970 CG ASP A 68 31.866 30.763 47.674 1.00 0.00 C ATOM 971 OD1 ASP A 68 31.098 31.259 48.534 1.00 0.00 O ATOM 972 OD2 ASP A 68 32.627 31.458 46.962 1.00 0.00 O ATOM 0 H ASP A 68 31.613 26.874 47.219 1.00 0.00 H new ATOM 0 HA ASP A 68 29.777 29.141 47.107 1.00 0.00 H new ATOM 0 HB2 ASP A 68 31.927 28.809 48.559 1.00 0.00 H new ATOM 0 HB3 ASP A 68 32.836 28.947 47.067 1.00 0.00 H new ATOM 977 N GLU A 69 31.437 28.160 44.494 1.00 0.00 N ATOM 978 CA GLU A 69 31.580 28.349 43.049 1.00 0.00 C ATOM 979 C GLU A 69 30.268 27.995 42.318 1.00 0.00 C ATOM 980 O GLU A 69 29.832 28.742 41.439 1.00 0.00 O ATOM 981 CB GLU A 69 32.788 27.538 42.528 1.00 0.00 C ATOM 982 CG GLU A 69 34.113 28.331 42.484 1.00 0.00 C ATOM 983 CD GLU A 69 35.079 28.025 43.641 1.00 0.00 C ATOM 984 OE1 GLU A 69 34.808 28.413 44.802 1.00 0.00 O ATOM 985 OE2 GLU A 69 36.148 27.414 43.378 1.00 0.00 O ATOM 0 H GLU A 69 31.860 27.298 44.837 1.00 0.00 H new ATOM 0 HA GLU A 69 31.778 29.400 42.840 1.00 0.00 H new ATOM 0 HB2 GLU A 69 32.923 26.662 43.162 1.00 0.00 H new ATOM 0 HB3 GLU A 69 32.562 27.175 41.526 1.00 0.00 H new ATOM 0 HG2 GLU A 69 34.617 28.119 41.541 1.00 0.00 H new ATOM 0 HG3 GLU A 69 33.884 29.397 42.491 1.00 0.00 H new ATOM 992 N ASN A 70 29.568 26.927 42.727 1.00 0.00 N ATOM 993 CA ASN A 70 28.198 26.625 42.272 1.00 0.00 C ATOM 994 C ASN A 70 27.089 27.510 42.889 1.00 0.00 C ATOM 995 O ASN A 70 25.990 27.617 42.337 1.00 0.00 O ATOM 996 CB ASN A 70 27.930 25.118 42.333 1.00 0.00 C ATOM 997 CG ASN A 70 28.030 24.503 43.710 1.00 0.00 C ATOM 998 OD1 ASN A 70 27.653 25.090 44.708 1.00 0.00 O ATOM 999 ND2 ASN A 70 28.505 23.284 43.800 1.00 0.00 N ATOM 0 H ASN A 70 29.937 26.242 43.387 1.00 0.00 H new ATOM 0 HA ASN A 70 28.146 26.916 41.223 1.00 0.00 H new ATOM 0 HB2 ASN A 70 26.932 24.926 41.938 1.00 0.00 H new ATOM 0 HB3 ASN A 70 28.636 24.612 41.674 1.00 0.00 H new ATOM 0 HD21 ASN A 70 28.560 22.824 44.709 1.00 0.00 H new ATOM 0 HD22 ASN A 70 28.820 22.796 42.961 1.00 0.00 H new ATOM 1006 N ASP A 71 27.395 28.211 43.980 1.00 0.00 N ATOM 1007 CA ASP A 71 26.551 29.292 44.527 1.00 0.00 C ATOM 1008 C ASP A 71 26.541 30.536 43.630 1.00 0.00 C ATOM 1009 O ASP A 71 25.665 31.376 43.795 1.00 0.00 O ATOM 1010 CB ASP A 71 27.004 29.735 45.929 1.00 0.00 C ATOM 1011 CG ASP A 71 25.845 30.183 46.827 1.00 0.00 C ATOM 1012 OD1 ASP A 71 25.064 29.307 47.275 1.00 0.00 O ATOM 1013 OD2 ASP A 71 25.741 31.392 47.151 1.00 0.00 O ATOM 0 H ASP A 71 28.244 28.048 44.521 1.00 0.00 H new ATOM 0 HA ASP A 71 25.550 28.865 44.578 1.00 0.00 H new ATOM 0 HB2 ASP A 71 27.530 28.911 46.411 1.00 0.00 H new ATOM 0 HB3 ASP A 71 27.716 30.554 45.831 1.00 0.00 H new ATOM 1018 N MET A 72 27.499 30.690 42.703 1.00 0.00 N ATOM 1019 CA MET A 72 27.495 31.796 41.726 1.00 0.00 C ATOM 1020 C MET A 72 26.380 31.610 40.682 1.00 0.00 C ATOM 1021 O MET A 72 25.842 32.578 40.152 1.00 0.00 O ATOM 1022 CB MET A 72 28.895 32.006 41.139 1.00 0.00 C ATOM 1023 CG MET A 72 29.906 32.211 42.284 1.00 0.00 C ATOM 1024 SD MET A 72 31.298 33.312 41.914 1.00 0.00 S ATOM 1025 CE MET A 72 30.441 34.913 41.952 1.00 0.00 C ATOM 0 H MET A 72 28.294 30.058 42.607 1.00 0.00 H new ATOM 0 HA MET A 72 27.251 32.729 42.234 1.00 0.00 H new ATOM 0 HB2 MET A 72 29.181 31.144 40.536 1.00 0.00 H new ATOM 0 HB3 MET A 72 28.898 32.872 40.478 1.00 0.00 H new ATOM 0 HG2 MET A 72 29.373 32.607 43.148 1.00 0.00 H new ATOM 0 HG3 MET A 72 30.303 31.238 42.573 1.00 0.00 H new ATOM 0 HE1 MET A 72 31.175 35.719 41.957 1.00 0.00 H new ATOM 0 HE2 MET A 72 29.805 35.006 41.071 1.00 0.00 H new ATOM 0 HE3 MET A 72 29.827 34.976 42.851 1.00 0.00 H new ATOM 1035 N LEU A 73 25.972 30.357 40.470 1.00 0.00 N ATOM 1036 CA LEU A 73 24.985 29.892 39.496 1.00 0.00 C ATOM 1037 C LEU A 73 23.564 30.013 40.046 1.00 0.00 C ATOM 1038 O LEU A 73 22.683 30.570 39.396 1.00 0.00 O ATOM 1039 CB LEU A 73 25.293 28.425 39.137 1.00 0.00 C ATOM 1040 CG LEU A 73 26.771 28.026 39.093 1.00 0.00 C ATOM 1041 CD1 LEU A 73 26.851 26.526 38.816 1.00 0.00 C ATOM 1042 CD2 LEU A 73 27.537 28.816 38.044 1.00 0.00 C ATOM 0 H LEU A 73 26.352 29.584 41.016 1.00 0.00 H new ATOM 0 HA LEU A 73 25.047 30.516 38.604 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.788 27.784 39.860 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.854 28.213 38.162 1.00 0.00 H new ATOM 0 HG LEU A 73 27.236 28.256 40.052 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.896 26.218 38.780 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.339 25.982 39.610 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.375 26.307 37.860 1.00 0.00 H new ATOM 0 HD21 LEU A 73 28.581 28.504 38.044 1.00 0.00 H new ATOM 0 HD22 LEU A 73 27.103 28.632 37.061 1.00 0.00 H new ATOM 0 HD23 LEU A 73 27.476 29.880 38.274 1.00 0.00 H new ATOM 1054 N ASP A 74 23.378 29.512 41.273 1.00 0.00 N ATOM 1055 CA ASP A 74 22.149 29.552 42.080 1.00 0.00 C ATOM 1056 C ASP A 74 21.434 30.911 42.103 1.00 0.00 C ATOM 1057 O ASP A 74 20.217 30.960 42.286 1.00 0.00 O ATOM 1058 CB ASP A 74 22.533 29.219 43.534 1.00 0.00 C ATOM 1059 CG ASP A 74 21.315 28.959 44.427 1.00 0.00 C ATOM 1060 OD1 ASP A 74 20.380 28.241 44.002 1.00 0.00 O ATOM 1061 OD2 ASP A 74 21.294 29.436 45.585 1.00 0.00 O ATOM 0 H ASP A 74 24.134 29.034 41.764 1.00 0.00 H new ATOM 0 HA ASP A 74 21.461 28.840 41.624 1.00 0.00 H new ATOM 0 HB2 ASP A 74 23.178 28.340 43.542 1.00 0.00 H new ATOM 0 HB3 ASP A 74 23.113 30.043 43.949 1.00 0.00 H new ATOM 1066 N LEU A 75 22.181 32.001 41.920 1.00 0.00 N ATOM 1067 CA LEU A 75 21.677 33.374 41.926 1.00 0.00 C ATOM 1068 C LEU A 75 20.826 33.701 40.686 1.00 0.00 C ATOM 1069 O LEU A 75 20.015 34.627 40.731 1.00 0.00 O ATOM 1070 CB LEU A 75 22.867 34.345 42.020 1.00 0.00 C ATOM 1071 CG LEU A 75 23.925 34.038 43.097 1.00 0.00 C ATOM 1072 CD1 LEU A 75 24.839 35.249 43.248 1.00 0.00 C ATOM 1073 CD2 LEU A 75 23.345 33.671 44.466 1.00 0.00 C ATOM 0 H LEU A 75 23.187 31.950 41.758 1.00 0.00 H new ATOM 0 HA LEU A 75 21.024 33.484 42.792 1.00 0.00 H new ATOM 0 HB2 LEU A 75 23.365 34.369 41.051 1.00 0.00 H new ATOM 0 HB3 LEU A 75 22.476 35.346 42.202 1.00 0.00 H new ATOM 0 HG LEU A 75 24.469 33.158 42.754 1.00 0.00 H new ATOM 0 HD11 LEU A 75 25.593 35.044 44.008 1.00 0.00 H new ATOM 0 HD12 LEU A 75 25.330 35.455 42.297 1.00 0.00 H new ATOM 0 HD13 LEU A 75 24.249 36.115 43.547 1.00 0.00 H new ATOM 0 HD21 LEU A 75 24.158 33.471 45.164 1.00 0.00 H new ATOM 0 HD22 LEU A 75 22.742 34.499 44.839 1.00 0.00 H new ATOM 0 HD23 LEU A 75 22.721 32.782 44.371 1.00 0.00 H new ATOM 1085 N ALA A 76 21.002 32.951 39.594 1.00 0.00 N ATOM 1086 CA ALA A 76 20.115 32.954 38.431 1.00 0.00 C ATOM 1087 C ALA A 76 18.876 32.075 38.681 1.00 0.00 C ATOM 1088 O ALA A 76 18.968 31.037 39.341 1.00 0.00 O ATOM 1089 CB ALA A 76 20.906 32.470 37.212 1.00 0.00 C ATOM 0 H ALA A 76 21.787 32.308 39.494 1.00 0.00 H new ATOM 0 HA ALA A 76 19.753 33.966 38.247 1.00 0.00 H new ATOM 0 HB1 ALA A 76 20.258 32.467 36.336 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.749 33.138 37.037 1.00 0.00 H new ATOM 0 HB3 ALA A 76 21.274 31.461 37.395 1.00 0.00 H new ATOM 1095 N TYR A 77 17.716 32.455 38.139 1.00 0.00 N ATOM 1096 CA TYR A 77 16.469 31.730 38.399 1.00 0.00 C ATOM 1097 C TYR A 77 16.439 30.340 37.759 1.00 0.00 C ATOM 1098 O TYR A 77 16.792 30.162 36.587 1.00 0.00 O ATOM 1099 CB TYR A 77 15.259 32.541 37.926 1.00 0.00 C ATOM 1100 CG TYR A 77 13.929 31.868 38.211 1.00 0.00 C ATOM 1101 CD1 TYR A 77 13.404 31.872 39.519 1.00 0.00 C ATOM 1102 CD2 TYR A 77 13.262 31.169 37.189 1.00 0.00 C ATOM 1103 CE1 TYR A 77 12.233 31.146 39.810 1.00 0.00 C ATOM 1104 CE2 TYR A 77 12.096 30.435 37.478 1.00 0.00 C ATOM 1105 CZ TYR A 77 11.592 30.406 38.794 1.00 0.00 C ATOM 1106 OH TYR A 77 10.510 29.642 39.096 1.00 0.00 O ATOM 0 H TYR A 77 17.614 33.258 37.519 1.00 0.00 H new ATOM 0 HA TYR A 77 16.420 31.591 39.479 1.00 0.00 H new ATOM 0 HB2 TYR A 77 15.274 33.517 38.411 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.346 32.716 36.854 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.900 32.432 40.298 1.00 0.00 H new ATOM 0 HD2 TYR A 77 13.645 31.195 36.180 1.00 0.00 H new ATOM 0 HE1 TYR A 77 11.826 31.156 40.810 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.588 29.895 36.692 1.00 0.00 H new ATOM 0 HH TYR A 77 10.186 29.198 38.285 1.00 0.00 H new ATOM 1116 N GLY A 78 15.896 29.376 38.505 1.00 0.00 N ATOM 1117 CA GLY A 78 15.348 28.166 37.906 1.00 0.00 C ATOM 1118 C GLY A 78 16.411 27.164 37.444 1.00 0.00 C ATOM 1119 O GLY A 78 16.264 26.539 36.387 1.00 0.00 O ATOM 0 H GLY A 78 15.826 29.413 39.522 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.694 27.679 38.629 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.729 28.443 37.053 1.00 0.00 H new ATOM 1123 N LEU A 79 17.495 27.043 38.216 1.00 0.00 N ATOM 1124 CA LEU A 79 18.707 26.309 37.861 1.00 0.00 C ATOM 1125 C LEU A 79 18.485 24.792 37.712 1.00 0.00 C ATOM 1126 O LEU A 79 17.993 24.105 38.609 1.00 0.00 O ATOM 1127 CB LEU A 79 19.845 26.750 38.801 1.00 0.00 C ATOM 1128 CG LEU A 79 21.206 26.260 38.304 1.00 0.00 C ATOM 1129 CD1 LEU A 79 22.295 27.234 38.688 1.00 0.00 C ATOM 1130 CD2 LEU A 79 21.620 24.906 38.862 1.00 0.00 C ATOM 0 H LEU A 79 17.552 27.471 39.140 1.00 0.00 H new ATOM 0 HA LEU A 79 19.021 26.571 36.851 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.854 27.837 38.877 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.661 26.362 39.803 1.00 0.00 H new ATOM 0 HG LEU A 79 21.088 26.174 37.224 1.00 0.00 H new ATOM 0 HD11 LEU A 79 23.255 26.867 38.325 1.00 0.00 H new ATOM 0 HD12 LEU A 79 22.086 28.207 38.243 1.00 0.00 H new ATOM 0 HD13 LEU A 79 22.330 27.331 39.773 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.595 24.630 38.461 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.677 24.962 39.949 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.884 24.154 38.576 1.00 0.00 H new ATOM 1142 N THR A 80 18.870 24.287 36.539 1.00 0.00 N ATOM 1143 CA THR A 80 18.445 23.019 35.940 1.00 0.00 C ATOM 1144 C THR A 80 19.218 21.817 36.476 1.00 0.00 C ATOM 1145 O THR A 80 20.258 21.946 37.128 1.00 0.00 O ATOM 1146 CB THR A 80 18.595 23.087 34.396 1.00 0.00 C ATOM 1147 OG1 THR A 80 18.969 24.378 33.952 1.00 0.00 O ATOM 1148 CG2 THR A 80 17.298 22.722 33.686 1.00 0.00 C ATOM 0 H THR A 80 19.530 24.785 35.942 1.00 0.00 H new ATOM 0 HA THR A 80 17.400 22.877 36.214 1.00 0.00 H new ATOM 0 HB THR A 80 19.377 22.368 34.151 1.00 0.00 H new ATOM 0 HG1 THR A 80 19.054 24.376 32.976 1.00 0.00 H new ATOM 0 HG21 THR A 80 17.444 22.782 32.608 1.00 0.00 H new ATOM 0 HG22 THR A 80 17.008 21.707 33.957 1.00 0.00 H new ATOM 0 HG23 THR A 80 16.512 23.416 33.984 1.00 0.00 H new ATOM 1156 N GLU A 81 18.743 20.615 36.148 1.00 0.00 N ATOM 1157 CA GLU A 81 19.335 19.340 36.573 1.00 0.00 C ATOM 1158 C GLU A 81 20.794 19.166 36.122 1.00 0.00 C ATOM 1159 O GLU A 81 21.556 18.454 36.780 1.00 0.00 O ATOM 1160 CB GLU A 81 18.517 18.178 35.997 1.00 0.00 C ATOM 1161 CG GLU A 81 17.025 18.243 36.340 1.00 0.00 C ATOM 1162 CD GLU A 81 16.293 17.050 35.732 1.00 0.00 C ATOM 1163 OE1 GLU A 81 16.271 16.924 34.484 1.00 0.00 O ATOM 1164 OE2 GLU A 81 15.751 16.217 36.497 1.00 0.00 O ATOM 0 H GLU A 81 17.915 20.495 35.565 1.00 0.00 H new ATOM 0 HA GLU A 81 19.321 19.343 37.663 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.631 18.168 34.913 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.925 17.239 36.369 1.00 0.00 H new ATOM 0 HG2 GLU A 81 16.893 18.247 37.422 1.00 0.00 H new ATOM 0 HG3 GLU A 81 16.598 19.172 35.963 1.00 0.00 H new ATOM 1171 N THR A 82 21.199 19.833 35.035 1.00 0.00 N ATOM 1172 CA THR A 82 22.561 19.797 34.483 1.00 0.00 C ATOM 1173 C THR A 82 23.127 21.199 34.266 1.00 0.00 C ATOM 1174 O THR A 82 24.060 21.398 33.482 1.00 0.00 O ATOM 1175 CB THR A 82 22.644 18.964 33.201 1.00 0.00 C ATOM 1176 OG1 THR A 82 21.828 19.527 32.198 1.00 0.00 O ATOM 1177 CG2 THR A 82 22.197 17.517 33.344 1.00 0.00 C ATOM 0 H THR A 82 20.571 20.431 34.498 1.00 0.00 H new ATOM 0 HA THR A 82 23.182 19.304 35.231 1.00 0.00 H new ATOM 0 HB THR A 82 23.704 18.973 32.949 1.00 0.00 H new ATOM 0 HG1 THR A 82 22.323 19.557 31.353 1.00 0.00 H new ATOM 0 HG21 THR A 82 22.292 17.010 32.384 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.821 17.015 34.083 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.157 17.488 33.668 1.00 0.00 H new ATOM 1185 N SER A 83 22.563 22.199 34.950 1.00 0.00 N ATOM 1186 CA SER A 83 23.124 23.544 34.926 1.00 0.00 C ATOM 1187 C SER A 83 24.339 23.628 35.856 1.00 0.00 C ATOM 1188 O SER A 83 24.356 23.015 36.929 1.00 0.00 O ATOM 1189 CB SER A 83 22.081 24.614 35.197 1.00 0.00 C ATOM 1190 OG SER A 83 22.713 25.874 35.280 1.00 0.00 O ATOM 0 H SER A 83 21.724 22.099 35.522 1.00 0.00 H new ATOM 0 HA SER A 83 23.476 23.750 33.915 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.335 24.620 34.402 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.554 24.397 36.126 1.00 0.00 H new ATOM 0 HG SER A 83 22.353 26.467 34.587 1.00 0.00 H new ATOM 1196 N ARG A 84 25.394 24.301 35.393 1.00 0.00 N ATOM 1197 CA ARG A 84 26.763 24.247 35.918 1.00 0.00 C ATOM 1198 C ARG A 84 27.535 25.522 35.540 1.00 0.00 C ATOM 1199 O ARG A 84 26.983 26.417 34.904 1.00 0.00 O ATOM 1200 CB ARG A 84 27.389 22.918 35.457 1.00 0.00 C ATOM 1201 CG ARG A 84 27.978 22.868 34.044 1.00 0.00 C ATOM 1202 CD ARG A 84 29.483 22.657 34.196 1.00 0.00 C ATOM 1203 NE ARG A 84 30.242 23.143 33.050 1.00 0.00 N ATOM 1204 CZ ARG A 84 31.497 22.824 32.839 1.00 0.00 C ATOM 1205 NH1 ARG A 84 31.992 21.646 33.099 1.00 0.00 N ATOM 1206 NH2 ARG A 84 32.292 23.758 32.425 1.00 0.00 N ATOM 0 H ARG A 84 25.313 24.934 34.597 1.00 0.00 H new ATOM 0 HA ARG A 84 26.792 24.244 37.008 1.00 0.00 H new ATOM 0 HB2 ARG A 84 28.179 22.656 36.161 1.00 0.00 H new ATOM 0 HB3 ARG A 84 26.626 22.143 35.531 1.00 0.00 H new ATOM 0 HG2 ARG A 84 27.531 22.058 33.468 1.00 0.00 H new ATOM 0 HG3 ARG A 84 27.770 23.793 33.506 1.00 0.00 H new ATOM 0 HD2 ARG A 84 29.827 23.166 35.096 1.00 0.00 H new ATOM 0 HD3 ARG A 84 29.684 21.595 34.334 1.00 0.00 H new ATOM 0 HE ARG A 84 29.777 23.758 32.383 1.00 0.00 H new ATOM 0 HH11 ARG A 84 31.395 20.916 33.487 1.00 0.00 H new ATOM 0 HH12 ARG A 84 32.977 21.454 32.914 1.00 0.00 H new ATOM 0 HH21 ARG A 84 31.935 24.702 32.274 1.00 0.00 H new ATOM 0 HH22 ARG A 84 33.275 23.550 32.249 1.00 0.00 H new ATOM 1220 N LEU A 85 28.804 25.618 35.935 1.00 0.00 N ATOM 1221 CA LEU A 85 29.634 26.817 35.725 1.00 0.00 C ATOM 1222 C LEU A 85 30.531 26.781 34.477 1.00 0.00 C ATOM 1223 O LEU A 85 30.789 25.730 33.886 1.00 0.00 O ATOM 1224 CB LEU A 85 30.383 27.168 37.022 1.00 0.00 C ATOM 1225 CG LEU A 85 31.762 26.561 37.278 1.00 0.00 C ATOM 1226 CD1 LEU A 85 32.148 26.910 38.714 1.00 0.00 C ATOM 1227 CD2 LEU A 85 31.792 25.051 37.084 1.00 0.00 C ATOM 0 H LEU A 85 29.294 24.863 36.414 1.00 0.00 H new ATOM 0 HA LEU A 85 28.953 27.635 35.491 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.491 28.252 37.054 1.00 0.00 H new ATOM 0 HB3 LEU A 85 29.741 26.887 37.857 1.00 0.00 H new ATOM 0 HG LEU A 85 32.468 26.971 36.555 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.130 26.494 38.938 1.00 0.00 H new ATOM 0 HD12 LEU A 85 32.178 27.993 38.830 1.00 0.00 H new ATOM 0 HD13 LEU A 85 31.412 26.492 39.400 1.00 0.00 H new ATOM 0 HD21 LEU A 85 32.798 24.679 37.280 1.00 0.00 H new ATOM 0 HD22 LEU A 85 31.090 24.582 37.774 1.00 0.00 H new ATOM 0 HD23 LEU A 85 31.509 24.810 36.059 1.00 0.00 H new ATOM 1239 N GLY A 86 31.052 27.934 34.078 1.00 0.00 N ATOM 1240 CA GLY A 86 32.109 28.046 33.079 1.00 0.00 C ATOM 1241 C GLY A 86 33.491 27.607 33.578 1.00 0.00 C ATOM 1242 O GLY A 86 34.174 26.855 32.881 1.00 0.00 O ATOM 0 H GLY A 86 30.747 28.835 34.446 1.00 0.00 H new ATOM 0 HA2 GLY A 86 31.840 27.444 32.211 1.00 0.00 H new ATOM 0 HA3 GLY A 86 32.168 29.081 32.742 1.00 0.00 H new ATOM 1246 N CYS A 87 33.888 28.070 34.769 1.00 0.00 N ATOM 1247 CA CYS A 87 35.273 28.120 35.237 1.00 0.00 C ATOM 1248 C CYS A 87 35.833 26.838 35.881 1.00 0.00 C ATOM 1249 O CYS A 87 36.734 26.226 35.311 1.00 0.00 O ATOM 1250 CB CYS A 87 35.388 29.298 36.195 1.00 0.00 C ATOM 1251 SG CYS A 87 34.089 29.387 37.442 1.00 0.00 S ATOM 0 H CYS A 87 33.227 28.433 35.456 1.00 0.00 H new ATOM 0 HA CYS A 87 35.893 28.234 34.348 1.00 0.00 H new ATOM 0 HB2 CYS A 87 36.353 29.246 36.699 1.00 0.00 H new ATOM 0 HB3 CYS A 87 35.380 30.221 35.616 1.00 0.00 H new ATOM 1256 N GLN A 88 35.359 26.427 37.067 1.00 0.00 N ATOM 1257 CA GLN A 88 36.063 25.424 37.906 1.00 0.00 C ATOM 1258 C GLN A 88 36.079 23.973 37.355 1.00 0.00 C ATOM 1259 O GLN A 88 36.465 23.045 38.063 1.00 0.00 O ATOM 1260 CB GLN A 88 35.578 25.473 39.372 1.00 0.00 C ATOM 1261 CG GLN A 88 36.664 25.043 40.381 1.00 0.00 C ATOM 1262 CD GLN A 88 36.140 24.161 41.514 1.00 0.00 C ATOM 1263 OE1 GLN A 88 35.873 24.701 42.681 1.00 0.00 O flip ATOM 1264 NE2 GLN A 88 35.963 22.955 41.381 1.00 0.00 N flip ATOM 0 H GLN A 88 34.489 26.770 37.474 1.00 0.00 H new ATOM 0 HA GLN A 88 37.108 25.730 37.867 1.00 0.00 H new ATOM 0 HB2 GLN A 88 35.252 26.486 39.607 1.00 0.00 H new ATOM 0 HB3 GLN A 88 34.709 24.824 39.483 1.00 0.00 H new ATOM 0 HG2 GLN A 88 37.449 24.506 39.849 1.00 0.00 H new ATOM 0 HG3 GLN A 88 37.122 25.935 40.809 1.00 0.00 H new ATOM 0 HE21 GLN A 88 36.161 22.506 40.487 1.00 0.00 H new ATOM 0 HE22 GLN A 88 35.618 22.401 42.165 1.00 0.00 H new ATOM 1273 N ILE A 89 35.662 23.756 36.106 1.00 0.00 N ATOM 1274 CA ILE A 89 35.816 22.496 35.367 1.00 0.00 C ATOM 1275 C ILE A 89 35.790 22.779 33.850 1.00 0.00 C ATOM 1276 O ILE A 89 34.851 23.362 33.307 1.00 0.00 O ATOM 1277 CB ILE A 89 34.782 21.439 35.837 1.00 0.00 C ATOM 1278 CG1 ILE A 89 34.757 20.162 34.973 1.00 0.00 C ATOM 1279 CG2 ILE A 89 33.384 22.060 35.985 1.00 0.00 C ATOM 1280 CD1 ILE A 89 36.102 19.418 34.956 1.00 0.00 C ATOM 0 H ILE A 89 35.191 24.477 35.560 1.00 0.00 H new ATOM 0 HA ILE A 89 36.787 22.052 35.585 1.00 0.00 H new ATOM 0 HB ILE A 89 35.115 21.109 36.821 1.00 0.00 H new ATOM 0 HG12 ILE A 89 33.983 19.492 35.348 1.00 0.00 H new ATOM 0 HG13 ILE A 89 34.482 20.427 33.952 1.00 0.00 H new ATOM 0 HG21 ILE A 89 32.680 21.296 36.315 1.00 0.00 H new ATOM 0 HG22 ILE A 89 33.419 22.864 36.720 1.00 0.00 H new ATOM 0 HG23 ILE A 89 33.060 22.461 35.024 1.00 0.00 H new ATOM 0 HD11 ILE A 89 36.018 18.529 34.331 1.00 0.00 H new ATOM 0 HD12 ILE A 89 36.875 20.073 34.554 1.00 0.00 H new ATOM 0 HD13 ILE A 89 36.368 19.124 35.971 1.00 0.00 H new ATOM 1292 N LYS A 90 36.852 22.357 33.175 1.00 0.00 N ATOM 1293 CA LYS A 90 37.357 22.765 31.854 1.00 0.00 C ATOM 1294 C LYS A 90 37.397 21.596 30.858 1.00 0.00 C ATOM 1295 O LYS A 90 36.951 20.497 31.181 1.00 0.00 O ATOM 1296 CB LYS A 90 38.755 23.400 32.067 1.00 0.00 C ATOM 1297 CG LYS A 90 39.593 22.818 33.221 1.00 0.00 C ATOM 1298 CD LYS A 90 39.967 21.347 32.993 1.00 0.00 C ATOM 1299 CE LYS A 90 40.883 20.905 34.136 1.00 0.00 C ATOM 1300 NZ LYS A 90 41.172 19.456 34.098 1.00 0.00 N ATOM 0 H LYS A 90 37.453 21.639 33.579 1.00 0.00 H new ATOM 0 HA LYS A 90 36.680 23.493 31.406 1.00 0.00 H new ATOM 0 HB2 LYS A 90 39.324 23.296 31.143 1.00 0.00 H new ATOM 0 HB3 LYS A 90 38.624 24.468 32.242 1.00 0.00 H new ATOM 0 HG2 LYS A 90 40.503 23.407 33.338 1.00 0.00 H new ATOM 0 HG3 LYS A 90 39.034 22.907 34.152 1.00 0.00 H new ATOM 0 HD2 LYS A 90 39.071 20.727 32.962 1.00 0.00 H new ATOM 0 HD3 LYS A 90 40.471 21.227 32.034 1.00 0.00 H new ATOM 0 HE2 LYS A 90 41.819 21.461 34.084 1.00 0.00 H new ATOM 0 HE3 LYS A 90 40.417 21.155 35.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 41.796 19.205 34.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 40.283 18.922 34.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 41.641 19.219 33.201 1.00 0.00 H new ATOM 1314 N MET A 91 37.931 21.819 29.656 1.00 0.00 N ATOM 1315 CA MET A 91 38.063 20.773 28.635 1.00 0.00 C ATOM 1316 C MET A 91 39.021 19.632 29.041 1.00 0.00 C ATOM 1317 O MET A 91 40.131 19.907 29.496 1.00 0.00 O ATOM 1318 CB MET A 91 38.517 21.359 27.285 1.00 0.00 C ATOM 1319 CG MET A 91 37.592 22.418 26.683 1.00 0.00 C ATOM 1320 SD MET A 91 35.865 21.933 26.403 1.00 0.00 S ATOM 1321 CE MET A 91 36.080 20.794 25.002 1.00 0.00 C ATOM 0 H MET A 91 38.285 22.729 29.361 1.00 0.00 H new ATOM 0 HA MET A 91 37.066 20.345 28.536 1.00 0.00 H new ATOM 0 HB2 MET A 91 39.507 21.797 27.413 1.00 0.00 H new ATOM 0 HB3 MET A 91 38.620 20.542 26.570 1.00 0.00 H new ATOM 0 HG2 MET A 91 37.598 23.288 27.340 1.00 0.00 H new ATOM 0 HG3 MET A 91 38.014 22.736 25.730 1.00 0.00 H new ATOM 0 HE1 MET A 91 35.234 20.108 24.958 1.00 0.00 H new ATOM 0 HE2 MET A 91 36.134 21.364 24.075 1.00 0.00 H new ATOM 0 HE3 MET A 91 37.001 20.226 25.133 1.00 0.00 H new ATOM 1331 N SER A 92 38.622 18.380 28.783 1.00 0.00 N ATOM 1332 CA SER A 92 39.415 17.137 28.911 1.00 0.00 C ATOM 1333 C SER A 92 39.170 16.192 27.716 1.00 0.00 C ATOM 1334 O SER A 92 38.270 16.438 26.916 1.00 0.00 O ATOM 1335 CB SER A 92 39.090 16.429 30.232 1.00 0.00 C ATOM 1336 OG SER A 92 37.831 15.785 30.180 1.00 0.00 O ATOM 0 H SER A 92 37.675 18.189 28.457 1.00 0.00 H new ATOM 0 HA SER A 92 40.470 17.410 28.910 1.00 0.00 H new ATOM 0 HB2 SER A 92 39.866 15.696 30.453 1.00 0.00 H new ATOM 0 HB3 SER A 92 39.095 17.154 31.046 1.00 0.00 H new ATOM 0 HG SER A 92 37.655 15.342 31.036 1.00 0.00 H new ATOM 1342 N LYS A 93 39.920 15.093 27.541 1.00 0.00 N ATOM 1343 CA LYS A 93 39.720 14.198 26.388 1.00 0.00 C ATOM 1344 C LYS A 93 38.507 13.266 26.457 1.00 0.00 C ATOM 1345 O LYS A 93 38.057 12.774 25.427 1.00 0.00 O ATOM 1346 CB LYS A 93 41.025 13.495 26.014 1.00 0.00 C ATOM 1347 CG LYS A 93 41.477 12.347 26.929 1.00 0.00 C ATOM 1348 CD LYS A 93 42.737 11.655 26.376 1.00 0.00 C ATOM 1349 CE LYS A 93 43.938 12.607 26.380 1.00 0.00 C ATOM 1350 NZ LYS A 93 45.161 12.009 25.800 1.00 0.00 N ATOM 0 H LYS A 93 40.664 14.803 28.176 1.00 0.00 H new ATOM 0 HA LYS A 93 39.440 14.851 25.562 1.00 0.00 H new ATOM 0 HB2 LYS A 93 40.923 13.103 25.002 1.00 0.00 H new ATOM 0 HB3 LYS A 93 41.818 14.242 25.988 1.00 0.00 H new ATOM 0 HG2 LYS A 93 41.680 12.733 27.928 1.00 0.00 H new ATOM 0 HG3 LYS A 93 40.672 11.618 27.027 1.00 0.00 H new ATOM 0 HD2 LYS A 93 42.965 10.775 26.977 1.00 0.00 H new ATOM 0 HD3 LYS A 93 42.548 11.307 25.360 1.00 0.00 H new ATOM 0 HE2 LYS A 93 43.681 13.507 25.821 1.00 0.00 H new ATOM 0 HE3 LYS A 93 44.144 12.917 27.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 45.921 12.719 25.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 45.457 11.196 26.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 44.965 11.692 24.829 1.00 0.00 H new ATOM 1364 N ASP A 94 37.938 13.044 27.642 1.00 0.00 N ATOM 1365 CA ASP A 94 36.741 12.195 27.842 1.00 0.00 C ATOM 1366 C ASP A 94 35.445 12.830 27.295 1.00 0.00 C ATOM 1367 O ASP A 94 34.406 12.177 27.186 1.00 0.00 O ATOM 1368 CB ASP A 94 36.552 11.940 29.345 1.00 0.00 C ATOM 1369 CG ASP A 94 35.963 10.560 29.674 1.00 0.00 C ATOM 1370 OD1 ASP A 94 36.435 9.534 29.124 1.00 0.00 O ATOM 1371 OD2 ASP A 94 35.066 10.486 30.552 1.00 0.00 O ATOM 0 H ASP A 94 38.293 13.450 28.508 1.00 0.00 H new ATOM 0 HA ASP A 94 36.915 11.271 27.290 1.00 0.00 H new ATOM 0 HB2 ASP A 94 37.516 12.041 29.844 1.00 0.00 H new ATOM 0 HB3 ASP A 94 35.898 12.710 29.755 1.00 0.00 H new ATOM 1376 N ILE A 95 35.496 14.126 26.986 1.00 0.00 N ATOM 1377 CA ILE A 95 34.391 14.995 26.581 1.00 0.00 C ATOM 1378 C ILE A 95 34.528 15.466 25.136 1.00 0.00 C ATOM 1379 O ILE A 95 33.998 16.520 24.802 1.00 0.00 O ATOM 1380 CB ILE A 95 34.264 16.177 27.557 1.00 0.00 C ATOM 1381 CG1 ILE A 95 35.464 17.133 27.437 1.00 0.00 C ATOM 1382 CG2 ILE A 95 34.073 15.699 28.996 1.00 0.00 C ATOM 1383 CD1 ILE A 95 35.064 18.589 27.574 1.00 0.00 C ATOM 0 H ILE A 95 36.380 14.635 27.015 1.00 0.00 H new ATOM 0 HA ILE A 95 33.471 14.412 26.624 1.00 0.00 H new ATOM 0 HB ILE A 95 33.370 16.735 27.279 1.00 0.00 H new ATOM 0 HG12 ILE A 95 36.198 16.888 28.205 1.00 0.00 H new ATOM 0 HG13 ILE A 95 35.949 16.982 26.473 1.00 0.00 H new ATOM 0 HG21 ILE A 95 33.987 16.561 29.657 1.00 0.00 H new ATOM 0 HG22 ILE A 95 33.166 15.099 29.063 1.00 0.00 H new ATOM 0 HG23 ILE A 95 34.930 15.096 29.296 1.00 0.00 H new ATOM 0 HD11 ILE A 95 35.948 19.220 27.482 1.00 0.00 H new ATOM 0 HD12 ILE A 95 34.352 18.846 26.790 1.00 0.00 H new ATOM 0 HD13 ILE A 95 34.604 18.750 28.549 1.00 0.00 H new ATOM 1395 N ASP A 96 35.281 14.762 24.290 1.00 0.00 N ATOM 1396 CA ASP A 96 35.543 15.220 22.927 1.00 0.00 C ATOM 1397 C ASP A 96 34.249 15.218 22.092 1.00 0.00 C ATOM 1398 O ASP A 96 33.910 14.240 21.416 1.00 0.00 O ATOM 1399 CB ASP A 96 36.671 14.391 22.294 1.00 0.00 C ATOM 1400 CG ASP A 96 37.003 14.788 20.845 1.00 0.00 C ATOM 1401 OD1 ASP A 96 36.624 15.892 20.385 1.00 0.00 O ATOM 1402 OD2 ASP A 96 37.637 13.961 20.144 1.00 0.00 O ATOM 0 H ASP A 96 35.720 13.872 24.526 1.00 0.00 H new ATOM 0 HA ASP A 96 35.888 16.254 22.953 1.00 0.00 H new ATOM 0 HB2 ASP A 96 37.569 14.494 22.903 1.00 0.00 H new ATOM 0 HB3 ASP A 96 36.390 13.338 22.316 1.00 0.00 H new ATOM 1407 N GLY A 97 33.543 16.348 22.146 1.00 0.00 N ATOM 1408 CA GLY A 97 32.174 16.521 21.629 1.00 0.00 C ATOM 1409 C GLY A 97 31.129 17.044 22.630 1.00 0.00 C ATOM 1410 O GLY A 97 29.940 17.028 22.316 1.00 0.00 O ATOM 0 H GLY A 97 33.916 17.200 22.564 1.00 0.00 H new ATOM 0 HA2 GLY A 97 32.212 17.208 20.783 1.00 0.00 H new ATOM 0 HA3 GLY A 97 31.829 15.561 21.245 1.00 0.00 H new ATOM 1414 N ILE A 98 31.550 17.532 23.802 1.00 0.00 N ATOM 1415 CA ILE A 98 30.730 18.222 24.816 1.00 0.00 C ATOM 1416 C ILE A 98 29.793 19.297 24.224 1.00 0.00 C ATOM 1417 O ILE A 98 30.160 20.040 23.311 1.00 0.00 O ATOM 1418 CB ILE A 98 31.708 18.834 25.856 1.00 0.00 C ATOM 1419 CG1 ILE A 98 31.173 18.965 27.294 1.00 0.00 C ATOM 1420 CG2 ILE A 98 32.377 20.141 25.390 1.00 0.00 C ATOM 1421 CD1 ILE A 98 30.488 20.280 27.678 1.00 0.00 C ATOM 0 H ILE A 98 32.526 17.454 24.089 1.00 0.00 H new ATOM 0 HA ILE A 98 30.059 17.500 25.281 1.00 0.00 H new ATOM 0 HB ILE A 98 32.480 18.067 25.910 1.00 0.00 H new ATOM 0 HG12 ILE A 98 30.464 18.155 27.464 1.00 0.00 H new ATOM 0 HG13 ILE A 98 32.007 18.808 27.978 1.00 0.00 H new ATOM 0 HG21 ILE A 98 33.045 20.506 26.170 1.00 0.00 H new ATOM 0 HG22 ILE A 98 32.949 19.953 24.481 1.00 0.00 H new ATOM 0 HG23 ILE A 98 31.611 20.890 25.188 1.00 0.00 H new ATOM 0 HD11 ILE A 98 30.162 20.231 28.717 1.00 0.00 H new ATOM 0 HD12 ILE A 98 31.190 21.105 27.556 1.00 0.00 H new ATOM 0 HD13 ILE A 98 29.623 20.441 27.034 1.00 0.00 H new ATOM 1433 N ARG A 99 28.596 19.440 24.804 1.00 0.00 N ATOM 1434 CA ARG A 99 27.643 20.529 24.517 1.00 0.00 C ATOM 1435 C ARG A 99 27.312 21.303 25.769 1.00 0.00 C ATOM 1436 O ARG A 99 27.174 20.705 26.839 1.00 0.00 O ATOM 1437 CB ARG A 99 26.287 19.948 24.076 1.00 0.00 C ATOM 1438 CG ARG A 99 25.369 20.823 23.216 1.00 0.00 C ATOM 1439 CD ARG A 99 23.927 20.249 23.219 1.00 0.00 C ATOM 1440 NE ARG A 99 23.172 20.376 24.487 1.00 0.00 N ATOM 1441 CZ ARG A 99 22.012 19.783 24.742 1.00 0.00 C ATOM 1442 NH1 ARG A 99 21.278 19.228 23.824 1.00 0.00 N ATOM 1443 NH2 ARG A 99 21.566 19.729 25.961 1.00 0.00 N ATOM 0 H ARG A 99 28.250 18.786 25.506 1.00 0.00 H new ATOM 0 HA ARG A 99 28.112 21.151 23.755 1.00 0.00 H new ATOM 0 HB2 ARG A 99 26.482 19.028 23.525 1.00 0.00 H new ATOM 0 HB3 ARG A 99 25.736 19.670 24.974 1.00 0.00 H new ATOM 0 HG2 ARG A 99 25.363 21.843 23.599 1.00 0.00 H new ATOM 0 HG3 ARG A 99 25.749 20.868 22.195 1.00 0.00 H new ATOM 0 HD2 ARG A 99 23.360 20.746 22.432 1.00 0.00 H new ATOM 0 HD3 ARG A 99 23.979 19.192 22.956 1.00 0.00 H new ATOM 0 HE ARG A 99 23.573 20.963 25.219 1.00 0.00 H new ATOM 0 HH11 ARG A 99 21.586 19.235 22.852 1.00 0.00 H new ATOM 0 HH12 ARG A 99 20.394 18.786 24.076 1.00 0.00 H new ATOM 0 HH21 ARG A 99 22.107 20.142 26.721 1.00 0.00 H new ATOM 0 HH22 ARG A 99 20.675 19.274 26.158 1.00 0.00 H new ATOM 1457 N VAL A 100 26.981 22.569 25.582 1.00 0.00 N ATOM 1458 CA VAL A 100 26.230 23.340 26.558 1.00 0.00 C ATOM 1459 C VAL A 100 25.246 24.324 25.914 1.00 0.00 C ATOM 1460 O VAL A 100 25.457 24.748 24.779 1.00 0.00 O ATOM 1461 CB VAL A 100 27.200 24.129 27.476 1.00 0.00 C ATOM 1462 CG1 VAL A 100 27.975 23.244 28.468 1.00 0.00 C ATOM 1463 CG2 VAL A 100 28.224 24.947 26.661 1.00 0.00 C ATOM 0 H VAL A 100 27.227 23.094 24.743 1.00 0.00 H new ATOM 0 HA VAL A 100 25.650 22.622 27.137 1.00 0.00 H new ATOM 0 HB VAL A 100 26.550 24.793 28.046 1.00 0.00 H new ATOM 0 HG11 VAL A 100 28.632 23.867 29.075 1.00 0.00 H new ATOM 0 HG12 VAL A 100 27.271 22.721 29.115 1.00 0.00 H new ATOM 0 HG13 VAL A 100 28.571 22.516 27.917 1.00 0.00 H new ATOM 0 HG21 VAL A 100 28.884 25.485 27.341 1.00 0.00 H new ATOM 0 HG22 VAL A 100 28.814 24.274 26.038 1.00 0.00 H new ATOM 0 HG23 VAL A 100 27.698 25.660 26.027 1.00 0.00 H new ATOM 1473 N ALA A 101 24.199 24.743 26.633 1.00 0.00 N ATOM 1474 CA ALA A 101 23.365 25.881 26.235 1.00 0.00 C ATOM 1475 C ALA A 101 23.730 27.163 27.019 1.00 0.00 C ATOM 1476 O ALA A 101 24.414 27.092 28.043 1.00 0.00 O ATOM 1477 CB ALA A 101 21.898 25.496 26.360 1.00 0.00 C ATOM 0 H ALA A 101 23.907 24.303 27.506 1.00 0.00 H new ATOM 0 HA ALA A 101 23.558 26.124 25.190 1.00 0.00 H new ATOM 0 HB1 ALA A 101 21.274 26.340 26.065 1.00 0.00 H new ATOM 0 HB2 ALA A 101 21.689 24.645 25.711 1.00 0.00 H new ATOM 0 HB3 ALA A 101 21.679 25.227 27.393 1.00 0.00 H new ATOM 1483 N LEU A 102 23.314 28.331 26.515 1.00 0.00 N ATOM 1484 CA LEU A 102 24.004 29.617 26.705 1.00 0.00 C ATOM 1485 C LEU A 102 22.999 30.790 26.942 1.00 0.00 C ATOM 1486 O LEU A 102 22.648 31.515 26.004 1.00 0.00 O ATOM 1487 CB LEU A 102 24.909 29.799 25.456 1.00 0.00 C ATOM 1488 CG LEU A 102 26.285 30.432 25.687 1.00 0.00 C ATOM 1489 CD1 LEU A 102 27.277 29.409 26.244 1.00 0.00 C ATOM 1490 CD2 LEU A 102 26.855 30.942 24.361 1.00 0.00 C ATOM 0 H LEU A 102 22.469 28.412 25.950 1.00 0.00 H new ATOM 0 HA LEU A 102 24.615 29.624 27.608 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.057 28.821 24.998 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.371 30.411 24.732 1.00 0.00 H new ATOM 0 HG LEU A 102 26.151 31.247 26.398 1.00 0.00 H new ATOM 0 HD11 LEU A 102 28.245 29.887 26.398 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.907 29.024 27.194 1.00 0.00 H new ATOM 0 HD13 LEU A 102 27.387 28.586 25.537 1.00 0.00 H new ATOM 0 HD21 LEU A 102 27.833 31.391 24.534 1.00 0.00 H new ATOM 0 HD22 LEU A 102 26.955 30.110 23.664 1.00 0.00 H new ATOM 0 HD23 LEU A 102 26.183 31.689 23.939 1.00 0.00 H new ATOM 1502 N PRO A 103 22.477 30.979 28.173 1.00 0.00 N ATOM 1503 CA PRO A 103 21.488 32.013 28.520 1.00 0.00 C ATOM 1504 C PRO A 103 22.101 33.397 28.819 1.00 0.00 C ATOM 1505 O PRO A 103 23.254 33.501 29.234 1.00 0.00 O ATOM 1506 CB PRO A 103 20.765 31.450 29.745 1.00 0.00 C ATOM 1507 CG PRO A 103 21.870 30.681 30.466 1.00 0.00 C ATOM 1508 CD PRO A 103 22.685 30.095 29.311 1.00 0.00 C ATOM 0 HA PRO A 103 20.825 32.206 27.677 1.00 0.00 H new ATOM 0 HB2 PRO A 103 20.350 32.242 30.369 1.00 0.00 H new ATOM 0 HB3 PRO A 103 19.937 30.799 29.463 1.00 0.00 H new ATOM 0 HG2 PRO A 103 22.473 31.335 31.096 1.00 0.00 H new ATOM 0 HG3 PRO A 103 21.465 29.902 31.112 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.742 30.038 29.571 1.00 0.00 H new ATOM 0 HD3 PRO A 103 22.359 29.081 29.080 1.00 0.00 H new ATOM 1516 N GLN A 104 21.311 34.473 28.695 1.00 0.00 N ATOM 1517 CA GLN A 104 21.751 35.865 28.954 1.00 0.00 C ATOM 1518 C GLN A 104 21.691 36.302 30.436 1.00 0.00 C ATOM 1519 O GLN A 104 21.314 37.436 30.746 1.00 0.00 O ATOM 1520 CB GLN A 104 21.047 36.863 28.016 1.00 0.00 C ATOM 1521 CG GLN A 104 19.510 36.859 28.089 1.00 0.00 C ATOM 1522 CD GLN A 104 18.935 38.197 27.632 1.00 0.00 C ATOM 1523 OE1 GLN A 104 18.833 38.490 26.446 1.00 0.00 O ATOM 1524 NE2 GLN A 104 18.570 39.071 28.537 1.00 0.00 N ATOM 0 H GLN A 104 20.334 34.408 28.409 1.00 0.00 H new ATOM 0 HA GLN A 104 22.815 35.876 28.719 1.00 0.00 H new ATOM 0 HB2 GLN A 104 21.403 37.867 28.247 1.00 0.00 H new ATOM 0 HB3 GLN A 104 21.347 36.646 26.991 1.00 0.00 H new ATOM 0 HG2 GLN A 104 19.115 36.058 27.464 1.00 0.00 H new ATOM 0 HG3 GLN A 104 19.192 36.653 29.111 1.00 0.00 H new ATOM 0 HE21 GLN A 104 18.649 38.842 29.528 1.00 0.00 H new ATOM 0 HE22 GLN A 104 18.207 39.980 28.251 1.00 0.00 H new ATOM 1533 N MET A 105 22.040 35.406 31.360 1.00 0.00 N ATOM 1534 CA MET A 105 21.968 35.662 32.806 1.00 0.00 C ATOM 1535 C MET A 105 22.992 36.717 33.260 1.00 0.00 C ATOM 1536 O MET A 105 24.150 36.681 32.845 1.00 0.00 O ATOM 1537 CB MET A 105 22.185 34.353 33.585 1.00 0.00 C ATOM 1538 CG MET A 105 21.081 33.316 33.360 1.00 0.00 C ATOM 1539 SD MET A 105 19.447 33.804 33.976 1.00 0.00 S ATOM 1540 CE MET A 105 18.493 32.335 33.505 1.00 0.00 C ATOM 0 H MET A 105 22.384 34.474 31.128 1.00 0.00 H new ATOM 0 HA MET A 105 20.974 36.056 33.018 1.00 0.00 H new ATOM 0 HB2 MET A 105 23.143 33.921 33.294 1.00 0.00 H new ATOM 0 HB3 MET A 105 22.248 34.579 34.649 1.00 0.00 H new ATOM 0 HG2 MET A 105 21.006 33.111 32.292 1.00 0.00 H new ATOM 0 HG3 MET A 105 21.373 32.384 33.843 1.00 0.00 H new ATOM 0 HE1 MET A 105 17.454 32.462 33.810 1.00 0.00 H new ATOM 0 HE2 MET A 105 18.540 32.202 32.424 1.00 0.00 H new ATOM 0 HE3 MET A 105 18.911 31.457 33.997 1.00 0.00 H new ATOM 1550 N THR A 106 22.594 37.635 34.145 1.00 0.00 N ATOM 1551 CA THR A 106 23.504 38.522 34.894 1.00 0.00 C ATOM 1552 C THR A 106 22.951 38.842 36.286 1.00 0.00 C ATOM 1553 O THR A 106 21.738 38.828 36.496 1.00 0.00 O ATOM 1554 CB THR A 106 23.819 39.813 34.120 1.00 0.00 C ATOM 1555 OG1 THR A 106 24.878 40.489 34.760 1.00 0.00 O ATOM 1556 CG2 THR A 106 22.652 40.791 34.006 1.00 0.00 C ATOM 0 H THR A 106 21.611 37.790 34.369 1.00 0.00 H new ATOM 0 HA THR A 106 24.441 37.980 35.018 1.00 0.00 H new ATOM 0 HB THR A 106 24.069 39.492 33.109 1.00 0.00 H new ATOM 0 HG1 THR A 106 25.084 41.312 34.270 1.00 0.00 H new ATOM 0 HG21 THR A 106 22.968 41.670 33.445 1.00 0.00 H new ATOM 0 HG22 THR A 106 21.822 40.309 33.489 1.00 0.00 H new ATOM 0 HG23 THR A 106 22.331 41.093 35.003 1.00 0.00 H new ATOM 1564 N ARG A 107 23.840 39.115 37.251 1.00 0.00 N ATOM 1565 CA ARG A 107 23.544 39.514 38.642 1.00 0.00 C ATOM 1566 C ARG A 107 24.662 40.418 39.181 1.00 0.00 C ATOM 1567 O ARG A 107 25.761 40.422 38.626 1.00 0.00 O ATOM 1568 CB ARG A 107 23.393 38.270 39.546 1.00 0.00 C ATOM 1569 CG ARG A 107 22.176 37.368 39.272 1.00 0.00 C ATOM 1570 CD ARG A 107 20.820 38.068 39.417 1.00 0.00 C ATOM 1571 NE ARG A 107 19.710 37.120 39.212 1.00 0.00 N ATOM 1572 CZ ARG A 107 19.019 36.907 38.110 1.00 0.00 C ATOM 1573 NH1 ARG A 107 19.310 37.484 36.982 1.00 0.00 N ATOM 1574 NH2 ARG A 107 18.011 36.087 38.127 1.00 0.00 N ATOM 0 H ARG A 107 24.843 39.061 37.076 1.00 0.00 H new ATOM 0 HA ARG A 107 22.603 40.065 38.648 1.00 0.00 H new ATOM 0 HB2 ARG A 107 24.295 37.666 39.449 1.00 0.00 H new ATOM 0 HB3 ARG A 107 23.344 38.605 40.582 1.00 0.00 H new ATOM 0 HG2 ARG A 107 22.257 36.967 38.262 1.00 0.00 H new ATOM 0 HG3 ARG A 107 22.207 36.519 39.955 1.00 0.00 H new ATOM 0 HD2 ARG A 107 20.742 38.515 40.408 1.00 0.00 H new ATOM 0 HD3 ARG A 107 20.747 38.880 38.694 1.00 0.00 H new ATOM 0 HE ARG A 107 19.444 36.560 40.022 1.00 0.00 H new ATOM 0 HH11 ARG A 107 20.099 38.129 36.927 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.750 37.292 36.152 1.00 0.00 H new ATOM 0 HH21 ARG A 107 17.756 35.610 38.992 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.475 35.920 37.276 1.00 0.00 H new ATOM 1588 N ASN A 108 24.395 41.142 40.270 1.00 0.00 N ATOM 1589 CA ASN A 108 25.309 42.079 40.949 1.00 0.00 C ATOM 1590 C ASN A 108 25.780 43.280 40.083 1.00 0.00 C ATOM 1591 O ASN A 108 25.697 43.263 38.849 1.00 0.00 O ATOM 1592 CB ASN A 108 26.457 41.264 41.593 1.00 0.00 C ATOM 1593 CG ASN A 108 27.032 41.881 42.857 1.00 0.00 C ATOM 1594 OD1 ASN A 108 27.241 43.079 42.968 1.00 0.00 O ATOM 1595 ND2 ASN A 108 27.344 41.092 43.851 1.00 0.00 N ATOM 0 H ASN A 108 23.487 41.092 40.732 1.00 0.00 H new ATOM 0 HA ASN A 108 24.753 42.588 41.737 1.00 0.00 H new ATOM 0 HB2 ASN A 108 26.090 40.264 41.826 1.00 0.00 H new ATOM 0 HB3 ASN A 108 27.258 41.148 40.863 1.00 0.00 H new ATOM 0 HD21 ASN A 108 27.754 41.480 44.700 1.00 0.00 H new ATOM 0 HD22 ASN A 108 27.177 40.088 43.777 1.00 0.00 H new ATOM 1602 N VAL A 109 26.268 44.340 40.734 1.00 0.00 N ATOM 1603 CA VAL A 109 26.769 45.592 40.121 1.00 0.00 C ATOM 1604 C VAL A 109 28.095 46.107 40.712 1.00 0.00 C ATOM 1605 O VAL A 109 28.654 47.063 40.176 1.00 0.00 O ATOM 1606 CB VAL A 109 25.699 46.709 40.160 1.00 0.00 C ATOM 1607 CG1 VAL A 109 24.478 46.353 39.304 1.00 0.00 C ATOM 1608 CG2 VAL A 109 25.228 47.037 41.583 1.00 0.00 C ATOM 0 H VAL A 109 26.331 44.358 41.752 1.00 0.00 H new ATOM 0 HA VAL A 109 26.982 45.326 39.085 1.00 0.00 H new ATOM 0 HB VAL A 109 26.190 47.592 39.750 1.00 0.00 H new ATOM 0 HG11 VAL A 109 23.749 47.161 39.357 1.00 0.00 H new ATOM 0 HG12 VAL A 109 24.788 46.211 38.269 1.00 0.00 H new ATOM 0 HG13 VAL A 109 24.028 45.433 39.677 1.00 0.00 H new ATOM 0 HG21 VAL A 109 24.478 47.827 41.545 1.00 0.00 H new ATOM 0 HG22 VAL A 109 24.794 46.146 42.037 1.00 0.00 H new ATOM 0 HG23 VAL A 109 26.077 47.371 42.179 1.00 0.00 H new ATOM 1618 N ASN A 110 28.630 45.507 41.785 1.00 0.00 N ATOM 1619 CA ASN A 110 29.822 46.029 42.472 1.00 0.00 C ATOM 1620 C ASN A 110 31.104 46.006 41.605 1.00 0.00 C ATOM 1621 O ASN A 110 31.275 45.129 40.754 1.00 0.00 O ATOM 1622 CB ASN A 110 30.018 45.339 43.837 1.00 0.00 C ATOM 1623 CG ASN A 110 30.758 44.013 43.760 1.00 0.00 C ATOM 1624 OD1 ASN A 110 31.968 43.939 43.911 1.00 0.00 O ATOM 1625 ND2 ASN A 110 30.067 42.926 43.524 1.00 0.00 N ATOM 0 H ASN A 110 28.254 44.654 42.199 1.00 0.00 H new ATOM 0 HA ASN A 110 29.634 47.087 42.656 1.00 0.00 H new ATOM 0 HB2 ASN A 110 30.566 46.011 44.497 1.00 0.00 H new ATOM 0 HB3 ASN A 110 29.041 45.172 44.292 1.00 0.00 H new ATOM 0 HD21 ASN A 110 30.539 42.024 43.467 1.00 0.00 H new ATOM 0 HD22 ASN A 110 29.056 42.982 43.397 1.00 0.00 H new ATOM 1632 N ASN A 111 32.000 46.967 41.857 1.00 0.00 N ATOM 1633 CA ASN A 111 33.266 47.175 41.146 1.00 0.00 C ATOM 1634 C ASN A 111 34.494 46.799 42.002 1.00 0.00 C ATOM 1635 O ASN A 111 34.571 47.136 43.189 1.00 0.00 O ATOM 1636 CB ASN A 111 33.326 48.652 40.712 1.00 0.00 C ATOM 1637 CG ASN A 111 34.653 49.056 40.080 1.00 0.00 C ATOM 1638 OD1 ASN A 111 35.266 48.311 39.333 1.00 0.00 O ATOM 1639 ND2 ASN A 111 35.142 50.237 40.366 1.00 0.00 N ATOM 0 H ASN A 111 31.855 47.653 42.598 1.00 0.00 H new ATOM 0 HA ASN A 111 33.299 46.518 40.277 1.00 0.00 H new ATOM 0 HB2 ASN A 111 32.523 48.845 40.001 1.00 0.00 H new ATOM 0 HB3 ASN A 111 33.141 49.284 41.581 1.00 0.00 H new ATOM 0 HD21 ASN A 111 36.032 50.531 39.965 1.00 0.00 H new ATOM 0 HD22 ASN A 111 34.632 50.863 40.990 1.00 0.00 H new ATOM 1646 N ASN A 112 35.497 46.185 41.372 1.00 0.00 N ATOM 1647 CA ASN A 112 36.841 45.961 41.902 1.00 0.00 C ATOM 1648 C ASN A 112 37.883 46.388 40.850 1.00 0.00 C ATOM 1649 O ASN A 112 37.881 45.881 39.727 1.00 0.00 O ATOM 1650 CB ASN A 112 36.971 44.479 42.301 1.00 0.00 C ATOM 1651 CG ASN A 112 38.286 44.173 42.993 1.00 0.00 C ATOM 1652 OD1 ASN A 112 39.139 43.468 42.471 1.00 0.00 O ATOM 1653 ND2 ASN A 112 38.477 44.669 44.192 1.00 0.00 N ATOM 0 H ASN A 112 35.387 45.812 40.429 1.00 0.00 H new ATOM 0 HA ASN A 112 37.021 46.563 42.792 1.00 0.00 H new ATOM 0 HB2 ASN A 112 36.146 44.211 42.962 1.00 0.00 H new ATOM 0 HB3 ASN A 112 36.881 43.858 41.410 1.00 0.00 H new ATOM 0 HD21 ASN A 112 39.341 44.468 44.695 1.00 0.00 H new ATOM 0 HD22 ASN A 112 37.762 45.256 44.621 1.00 0.00 H new ATOM 1660 N ASP A 113 38.758 47.328 41.204 1.00 0.00 N ATOM 1661 CA ASP A 113 39.705 47.956 40.274 1.00 0.00 C ATOM 1662 C ASP A 113 40.968 47.099 40.056 1.00 0.00 C ATOM 1663 O ASP A 113 41.463 46.468 40.995 1.00 0.00 O ATOM 1664 CB ASP A 113 40.037 49.361 40.796 1.00 0.00 C ATOM 1665 CG ASP A 113 40.848 50.193 39.802 1.00 0.00 C ATOM 1666 OD1 ASP A 113 40.355 50.438 38.674 1.00 0.00 O ATOM 1667 OD2 ASP A 113 41.978 50.616 40.157 1.00 0.00 O ATOM 0 H ASP A 113 38.833 47.682 42.158 1.00 0.00 H new ATOM 0 HA ASP A 113 39.243 48.037 39.290 1.00 0.00 H new ATOM 0 HB2 ASP A 113 39.110 49.885 41.028 1.00 0.00 H new ATOM 0 HB3 ASP A 113 40.595 49.273 41.728 1.00 0.00 H new ATOM 1672 N PHE A 114 41.503 47.087 38.831 1.00 0.00 N ATOM 1673 CA PHE A 114 42.639 46.256 38.413 1.00 0.00 C ATOM 1674 C PHE A 114 43.870 47.094 38.016 1.00 0.00 C ATOM 1675 O PHE A 114 43.734 48.209 37.500 1.00 0.00 O ATOM 1676 CB PHE A 114 42.175 45.333 37.278 1.00 0.00 C ATOM 1677 CG PHE A 114 43.194 44.283 36.879 1.00 0.00 C ATOM 1678 CD1 PHE A 114 43.285 43.078 37.602 1.00 0.00 C ATOM 1679 CD2 PHE A 114 44.055 44.510 35.790 1.00 0.00 C ATOM 1680 CE1 PHE A 114 44.234 42.105 37.239 1.00 0.00 C ATOM 1681 CE2 PHE A 114 45.003 43.538 35.430 1.00 0.00 C ATOM 1682 CZ PHE A 114 45.098 42.339 36.157 1.00 0.00 C ATOM 0 H PHE A 114 41.146 47.675 38.077 1.00 0.00 H new ATOM 0 HA PHE A 114 42.968 45.652 39.259 1.00 0.00 H new ATOM 0 HB2 PHE A 114 41.255 44.834 37.583 1.00 0.00 H new ATOM 0 HB3 PHE A 114 41.934 45.940 36.406 1.00 0.00 H new ATOM 0 HD1 PHE A 114 42.624 42.900 38.438 1.00 0.00 H new ATOM 0 HD2 PHE A 114 43.987 45.431 35.231 1.00 0.00 H new ATOM 0 HE1 PHE A 114 44.298 41.179 37.792 1.00 0.00 H new ATOM 0 HE2 PHE A 114 45.661 43.713 34.592 1.00 0.00 H new ATOM 0 HZ PHE A 114 45.835 41.598 35.884 1.00 0.00 H new ATOM 1692 N SER A 115 45.077 46.557 38.231 1.00 0.00 N ATOM 1693 CA SER A 115 46.370 47.218 37.945 1.00 0.00 C ATOM 1694 C SER A 115 47.315 46.318 37.147 1.00 0.00 C ATOM 1695 O SER A 115 47.831 45.323 37.708 1.00 0.00 O ATOM 1696 CB SER A 115 47.021 47.692 39.250 1.00 0.00 C ATOM 1697 OG SER A 115 46.201 48.651 39.900 1.00 0.00 O ATOM 1698 OXT SER A 115 47.548 46.626 35.957 1.00 0.00 O ATOM 0 H SER A 115 45.192 45.621 38.621 1.00 0.00 H new ATOM 0 HA SER A 115 46.168 48.087 37.319 1.00 0.00 H new ATOM 0 HB2 SER A 115 47.186 46.840 39.910 1.00 0.00 H new ATOM 0 HB3 SER A 115 47.998 48.126 39.038 1.00 0.00 H new ATOM 0 HG SER A 115 46.632 48.940 40.731 1.00 0.00 H new TER 1704 SER A 115 HETATM 1705 FE1 FES A 201 33.232 33.605 37.308 1.00 0.00 FE HETATM 1706 FE2 FES A 201 32.774 31.178 36.868 1.00 0.00 FE HETATM 1707 S1 FES A 201 31.889 32.345 38.486 1.00 0.00 S HETATM 1708 S2 FES A 201 34.118 32.442 35.684 1.00 0.00 S