USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 778 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 72 HIS : no HE2:sc= -2.35 K(o=-1.1,f=-2.7) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -161:sc=-0.000757 (180deg=-0.445) USER MOD Set 1.3: B 116 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= -0.279 (180deg=-1.56!) USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= -0.917 (180deg=-1.38) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot 6:sc= -8.11! USER MOD Single : A 26 SER OG : rot 150:sc= -1.91 USER MOD Single : A 28 SER OG : rot -71:sc= -0.975 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.29) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= -0.723 (180deg=-0.775) USER MOD Single : A 40 SER OG : rot -140:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -0.135 K(o=-0.14,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 108:sc= 1.23 USER MOD Single : A 48 SER OG : rot 100:sc= -0.7 USER MOD Single : A 58 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.53) USER MOD Single : A 63 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.37) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc=-0.00488 F(o=-0.66,f=-0.0049) USER MOD Single : A 77 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.042) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= -0.163 (180deg=-0.311) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 19:sc= 1.11 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -152:sc= -0.475 (180deg=-1.92!) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.242 USER MOD Single : B 111 THR OG1 : rot -18:sc= 0.573 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -4.636 -4.038 -15.994 1.00 0.00 N ATOM 2 CA LYS A 9 -3.458 -3.164 -16.227 1.00 0.00 C ATOM 3 C LYS A 9 -2.951 -2.562 -14.921 1.00 0.00 C ATOM 4 O LYS A 9 -3.475 -2.857 -13.846 1.00 0.00 O ATOM 5 CB LYS A 9 -3.861 -2.055 -17.203 1.00 0.00 C ATOM 6 CG LYS A 9 -2.867 -1.851 -18.335 1.00 0.00 C ATOM 7 CD LYS A 9 -2.809 -3.063 -19.250 1.00 0.00 C ATOM 8 CE LYS A 9 -1.393 -3.332 -19.733 1.00 0.00 C ATOM 9 NZ LYS A 9 -1.338 -4.471 -20.688 1.00 0.00 N ATOM 0 HA LYS A 9 -2.647 -3.758 -16.648 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.837 -2.292 -17.626 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.970 -1.120 -16.653 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.148 -0.971 -18.913 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.877 -1.658 -17.921 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.186 -3.938 -18.720 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.463 -2.904 -20.108 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.997 -2.437 -20.213 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.752 -3.545 -18.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.355 -4.621 -20.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.692 -5.331 -20.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.929 -4.258 -21.517 1.00 0.00 H new ATOM 25 N GLU A 10 -1.930 -1.717 -15.021 1.00 0.00 N ATOM 26 CA GLU A 10 -1.353 -1.075 -13.846 1.00 0.00 C ATOM 27 C GLU A 10 -1.777 0.389 -13.760 1.00 0.00 C ATOM 28 O GLU A 10 -1.927 1.064 -14.778 1.00 0.00 O ATOM 29 CB GLU A 10 0.172 -1.176 -13.883 1.00 0.00 C ATOM 30 CG GLU A 10 0.690 -2.600 -13.764 1.00 0.00 C ATOM 31 CD GLU A 10 1.279 -3.119 -15.061 1.00 0.00 C ATOM 32 OE1 GLU A 10 0.498 -3.438 -15.982 1.00 0.00 O ATOM 33 OE2 GLU A 10 2.520 -3.207 -15.156 1.00 0.00 O ATOM 0 H GLU A 10 -1.486 -1.461 -15.903 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.724 -1.593 -12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.534 -0.743 -14.816 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.587 -0.578 -13.072 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.449 -2.642 -12.983 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.125 -3.254 -13.453 1.00 0.00 H new ATOM 40 N LYS A 11 -1.970 0.869 -12.536 1.00 0.00 N ATOM 41 CA LYS A 11 -2.378 2.252 -12.307 1.00 0.00 C ATOM 42 C LYS A 11 -1.184 3.109 -11.884 1.00 0.00 C ATOM 43 O LYS A 11 -0.539 2.839 -10.870 1.00 0.00 O ATOM 44 CB LYS A 11 -3.481 2.296 -11.240 1.00 0.00 C ATOM 45 CG LYS A 11 -3.829 3.695 -10.748 1.00 0.00 C ATOM 46 CD LYS A 11 -3.933 3.742 -9.231 1.00 0.00 C ATOM 47 CE LYS A 11 -5.305 4.209 -8.773 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.790 5.375 -9.562 1.00 0.00 N ATOM 0 H LYS A 11 -1.850 0.320 -11.685 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.769 2.662 -13.239 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.380 1.833 -11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.169 1.692 -10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.068 4.400 -11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.774 4.012 -11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.731 2.752 -8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.170 4.412 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.016 3.388 -8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.263 4.478 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.366 5.991 -8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.976 5.911 -9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.367 5.039 -10.359 1.00 0.00 H new ATOM 62 N LYS A 12 -0.891 4.140 -12.668 1.00 0.00 N ATOM 63 CA LYS A 12 0.228 5.030 -12.372 1.00 0.00 C ATOM 64 C LYS A 12 -0.193 6.143 -11.417 1.00 0.00 C ATOM 65 O LYS A 12 -1.313 6.647 -11.492 1.00 0.00 O ATOM 66 CB LYS A 12 0.784 5.635 -13.662 1.00 0.00 C ATOM 67 CG LYS A 12 2.052 6.445 -13.456 1.00 0.00 C ATOM 68 CD LYS A 12 3.299 5.593 -13.640 1.00 0.00 C ATOM 69 CE LYS A 12 4.185 6.131 -14.750 1.00 0.00 C ATOM 70 NZ LYS A 12 5.162 7.134 -14.244 1.00 0.00 N ATOM 0 H LYS A 12 -1.411 4.381 -13.512 1.00 0.00 H new ATOM 0 HA LYS A 12 1.007 4.439 -11.890 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.986 4.833 -14.372 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.024 6.274 -14.111 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.072 7.276 -14.161 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.050 6.876 -12.455 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.861 5.564 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.009 4.568 -13.870 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.722 5.306 -15.218 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.564 6.586 -15.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.593 7.635 -15.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.672 7.817 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.904 6.651 -13.699 1.00 0.00 H new ATOM 84 N VAL A 13 0.713 6.519 -10.520 1.00 0.00 N ATOM 85 CA VAL A 13 0.438 7.572 -9.550 1.00 0.00 C ATOM 86 C VAL A 13 1.718 8.295 -9.142 1.00 0.00 C ATOM 87 O VAL A 13 2.805 7.717 -9.169 1.00 0.00 O ATOM 88 CB VAL A 13 -0.244 7.007 -8.289 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.669 8.133 -7.359 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.436 6.144 -8.668 1.00 0.00 C ATOM 0 H VAL A 13 1.644 6.110 -10.445 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.235 8.280 -10.034 1.00 0.00 H new ATOM 0 HB VAL A 13 0.476 6.382 -7.760 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.148 7.713 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.207 8.707 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.371 8.787 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.905 5.754 -7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.158 6.744 -9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.101 5.314 -9.290 1.00 0.00 H new ATOM 100 N PHE A 14 1.580 9.562 -8.762 1.00 0.00 N ATOM 101 CA PHE A 14 2.724 10.366 -8.346 1.00 0.00 C ATOM 102 C PHE A 14 2.414 11.121 -7.057 1.00 0.00 C ATOM 103 O PHE A 14 1.373 11.767 -6.940 1.00 0.00 O ATOM 104 CB PHE A 14 3.108 11.354 -9.450 1.00 0.00 C ATOM 105 CG PHE A 14 1.954 12.180 -9.945 1.00 0.00 C ATOM 106 CD1 PHE A 14 1.058 11.661 -10.865 1.00 0.00 C ATOM 107 CD2 PHE A 14 1.767 13.476 -9.490 1.00 0.00 C ATOM 108 CE1 PHE A 14 -0.003 12.418 -11.324 1.00 0.00 C ATOM 109 CE2 PHE A 14 0.708 14.238 -9.943 1.00 0.00 C ATOM 110 CZ PHE A 14 -0.179 13.708 -10.862 1.00 0.00 C ATOM 0 H PHE A 14 0.687 10.054 -8.734 1.00 0.00 H new ATOM 0 HA PHE A 14 3.563 9.695 -8.162 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.886 12.019 -9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.535 10.802 -10.288 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.190 10.652 -11.228 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.458 13.895 -8.773 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.693 12.002 -12.043 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.573 15.246 -9.580 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.008 14.302 -11.218 1.00 0.00 H new ATOM 120 N ILE A 15 3.324 11.035 -6.090 1.00 0.00 N ATOM 121 CA ILE A 15 3.141 11.711 -4.810 1.00 0.00 C ATOM 122 C ILE A 15 4.264 12.707 -4.545 1.00 0.00 C ATOM 123 O ILE A 15 5.439 12.402 -4.747 1.00 0.00 O ATOM 124 CB ILE A 15 3.082 10.703 -3.645 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.085 9.588 -3.958 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.708 11.408 -2.351 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.673 10.085 -4.175 1.00 0.00 C ATOM 0 H ILE A 15 4.192 10.506 -6.168 1.00 0.00 H new ATOM 0 HA ILE A 15 2.193 12.245 -4.870 1.00 0.00 H new ATOM 0 HB ILE A 15 4.069 10.258 -3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.415 9.056 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.087 8.869 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.671 10.682 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.454 12.170 -2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.731 11.878 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.019 9.240 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.323 10.592 -3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.657 10.781 -5.013 1.00 0.00 H new ATOM 139 N SER A 16 3.893 13.900 -4.090 1.00 0.00 N ATOM 140 CA SER A 16 4.868 14.945 -3.795 1.00 0.00 C ATOM 141 C SER A 16 4.470 15.719 -2.542 1.00 0.00 C ATOM 142 O SER A 16 3.338 16.190 -2.427 1.00 0.00 O ATOM 143 CB SER A 16 4.996 15.903 -4.980 1.00 0.00 C ATOM 144 OG SER A 16 6.268 16.528 -4.995 1.00 0.00 O ATOM 0 H SER A 16 2.924 14.167 -3.917 1.00 0.00 H new ATOM 0 HA SER A 16 5.832 14.469 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.845 15.357 -5.911 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.215 16.662 -4.925 1.00 0.00 H new ATOM 0 HG SER A 16 6.326 17.134 -5.763 1.00 0.00 H new ATOM 150 N LEU A 17 5.404 15.845 -1.606 1.00 0.00 N ATOM 151 CA LEU A 17 5.147 16.561 -0.361 1.00 0.00 C ATOM 152 C LEU A 17 5.140 18.069 -0.592 1.00 0.00 C ATOM 153 O LEU A 17 6.192 18.689 -0.752 1.00 0.00 O ATOM 154 CB LEU A 17 6.199 16.200 0.688 1.00 0.00 C ATOM 155 CG LEU A 17 5.798 16.497 2.134 1.00 0.00 C ATOM 156 CD1 LEU A 17 6.683 15.728 3.102 1.00 0.00 C ATOM 157 CD2 LEU A 17 5.875 17.992 2.412 1.00 0.00 C ATOM 0 H LEU A 17 6.346 15.461 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 17 4.164 16.262 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.428 15.138 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.117 16.743 0.462 1.00 0.00 H new ATOM 0 HG LEU A 17 4.768 16.172 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.383 15.952 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.579 14.659 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.723 16.022 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.586 18.185 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.895 18.340 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.199 18.522 1.741 1.00 0.00 H new ATOM 169 N VAL A 18 3.946 18.653 -0.607 1.00 0.00 N ATOM 170 CA VAL A 18 3.801 20.088 -0.816 1.00 0.00 C ATOM 171 C VAL A 18 3.872 20.845 0.509 1.00 0.00 C ATOM 172 O VAL A 18 2.925 21.532 0.897 1.00 0.00 O ATOM 173 CB VAL A 18 2.471 20.419 -1.522 1.00 0.00 C ATOM 174 CG1 VAL A 18 1.286 19.962 -0.683 1.00 0.00 C ATOM 175 CG2 VAL A 18 2.380 21.908 -1.823 1.00 0.00 C ATOM 0 H VAL A 18 3.066 18.154 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 18 4.627 20.404 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 18 2.443 19.879 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.358 20.206 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.343 18.884 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.307 20.468 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.434 22.121 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.435 22.471 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.206 22.199 -2.472 1.00 0.00 H new ATOM 185 N GLY A 19 5.001 20.716 1.196 1.00 0.00 N ATOM 186 CA GLY A 19 5.175 21.392 2.468 1.00 0.00 C ATOM 187 C GLY A 19 4.578 20.615 3.624 1.00 0.00 C ATOM 188 O GLY A 19 5.292 20.200 4.538 1.00 0.00 O ATOM 0 H GLY A 19 5.799 20.156 0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.238 21.549 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.711 22.377 2.419 1.00 0.00 H new ATOM 192 N SER A 20 3.264 20.416 3.588 1.00 0.00 N ATOM 193 CA SER A 20 2.570 19.683 4.640 1.00 0.00 C ATOM 194 C SER A 20 2.002 18.374 4.105 1.00 0.00 C ATOM 195 O SER A 20 1.602 18.289 2.944 1.00 0.00 O ATOM 196 CB SER A 20 1.446 20.537 5.229 1.00 0.00 C ATOM 197 OG SER A 20 0.895 21.402 4.251 1.00 0.00 O ATOM 0 H SER A 20 2.658 20.753 2.840 1.00 0.00 H new ATOM 0 HA SER A 20 3.291 19.452 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.665 19.890 5.628 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.830 21.124 6.063 1.00 0.00 H new ATOM 0 HG SER A 20 0.178 21.935 4.653 1.00 0.00 H new ATOM 203 N ARG A 21 1.971 17.356 4.959 1.00 0.00 N ATOM 204 CA ARG A 21 1.452 16.047 4.576 1.00 0.00 C ATOM 205 C ARG A 21 2.285 15.440 3.451 1.00 0.00 C ATOM 206 O ARG A 21 2.521 16.077 2.424 1.00 0.00 O ATOM 207 CB ARG A 21 -0.011 16.158 4.142 1.00 0.00 C ATOM 208 CG ARG A 21 -0.971 16.410 5.295 1.00 0.00 C ATOM 209 CD ARG A 21 -2.417 16.247 4.860 1.00 0.00 C ATOM 210 NE ARG A 21 -3.329 16.186 6.002 1.00 0.00 N ATOM 211 CZ ARG A 21 -3.477 15.113 6.775 1.00 0.00 C ATOM 212 NH1 ARG A 21 -2.781 14.010 6.533 1.00 0.00 N ATOM 213 NH2 ARG A 21 -4.326 15.143 7.793 1.00 0.00 N ATOM 0 H ARG A 21 2.300 17.412 5.923 1.00 0.00 H new ATOM 0 HA ARG A 21 1.515 15.392 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.106 16.967 3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.301 15.239 3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.754 15.718 6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.818 17.417 5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.698 17.080 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.517 15.338 4.267 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.884 17.014 6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.127 13.981 5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.899 13.191 7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.865 15.988 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.440 14.321 8.386 1.00 0.00 H new ATOM 227 N GLY A 22 2.730 14.205 3.651 1.00 0.00 N ATOM 228 CA GLY A 22 3.532 13.534 2.646 1.00 0.00 C ATOM 229 C GLY A 22 2.690 12.892 1.561 1.00 0.00 C ATOM 230 O GLY A 22 2.940 13.092 0.374 1.00 0.00 O ATOM 0 H GLY A 22 2.550 13.656 4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.216 14.252 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.144 12.770 3.126 1.00 0.00 H new ATOM 234 N LEU A 23 1.692 12.115 1.970 1.00 0.00 N ATOM 235 CA LEU A 23 0.817 11.438 1.024 1.00 0.00 C ATOM 236 C LEU A 23 -0.642 11.559 1.457 1.00 0.00 C ATOM 237 O LEU A 23 -1.489 12.036 0.701 1.00 0.00 O ATOM 238 CB LEU A 23 1.217 9.963 0.911 1.00 0.00 C ATOM 239 CG LEU A 23 0.150 9.029 0.338 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.083 9.324 -1.136 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.556 7.576 0.536 1.00 0.00 C ATOM 0 H LEU A 23 1.471 11.940 2.950 1.00 0.00 H new ATOM 0 HA LEU A 23 0.923 11.912 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.108 9.894 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.494 9.604 1.902 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.784 9.202 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.845 8.650 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.417 10.355 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.846 9.179 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.213 6.924 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.501 7.390 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.671 7.372 1.601 1.00 0.00 H new ATOM 253 N GLY A 24 -0.929 11.116 2.676 1.00 0.00 N ATOM 254 CA GLY A 24 -2.286 11.173 3.187 1.00 0.00 C ATOM 255 C GLY A 24 -2.956 9.813 3.205 1.00 0.00 C ATOM 256 O GLY A 24 -4.179 9.718 3.299 1.00 0.00 O ATOM 0 H GLY A 24 -0.245 10.718 3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.274 11.582 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.874 11.856 2.574 1.00 0.00 H new ATOM 260 N CYS A 25 -2.152 8.756 3.110 1.00 0.00 N ATOM 261 CA CYS A 25 -2.673 7.395 3.111 1.00 0.00 C ATOM 262 C CYS A 25 -1.739 6.463 3.873 1.00 0.00 C ATOM 263 O CYS A 25 -0.601 6.822 4.174 1.00 0.00 O ATOM 264 CB CYS A 25 -2.843 6.898 1.674 1.00 0.00 C ATOM 265 SG CYS A 25 -4.033 5.550 1.493 1.00 0.00 S ATOM 0 H CYS A 25 -1.137 8.818 3.031 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.643 7.398 3.608 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.158 7.733 1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.875 6.566 1.299 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.627 5.340 2.630 1.00 0.00 H new ATOM 271 N SER A 26 -2.222 5.263 4.178 1.00 0.00 N ATOM 272 CA SER A 26 -1.420 4.285 4.899 1.00 0.00 C ATOM 273 C SER A 26 -1.132 3.078 4.014 1.00 0.00 C ATOM 274 O SER A 26 -1.711 2.936 2.938 1.00 0.00 O ATOM 275 CB SER A 26 -2.143 3.838 6.171 1.00 0.00 C ATOM 276 OG SER A 26 -2.193 4.888 7.124 1.00 0.00 O ATOM 0 H SER A 26 -3.161 4.947 3.938 1.00 0.00 H new ATOM 0 HA SER A 26 -0.475 4.752 5.176 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.155 3.518 5.924 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.632 2.977 6.600 1.00 0.00 H new ATOM 0 HG SER A 26 -3.001 4.795 7.671 1.00 0.00 H new ATOM 282 N ILE A 27 -0.234 2.213 4.469 1.00 0.00 N ATOM 283 CA ILE A 27 0.124 1.020 3.714 1.00 0.00 C ATOM 284 C ILE A 27 0.359 -0.163 4.643 1.00 0.00 C ATOM 285 O ILE A 27 0.667 0.014 5.822 1.00 0.00 O ATOM 286 CB ILE A 27 1.382 1.246 2.855 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.545 1.723 3.724 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.094 2.250 1.747 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.885 1.650 3.027 1.00 0.00 C ATOM 0 H ILE A 27 0.259 2.316 5.356 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.715 0.802 3.054 1.00 0.00 H new ATOM 0 HB ILE A 27 1.664 0.298 2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.360 2.752 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.582 1.120 4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.993 2.399 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.294 1.871 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.789 3.200 2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.665 2.003 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.091 0.618 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.866 2.276 2.135 1.00 0.00 H new ATOM 301 N SER A 28 0.201 -1.367 4.111 1.00 0.00 N ATOM 302 CA SER A 28 0.387 -2.579 4.898 1.00 0.00 C ATOM 303 C SER A 28 0.955 -3.707 4.044 1.00 0.00 C ATOM 304 O SER A 28 0.899 -3.658 2.817 1.00 0.00 O ATOM 305 CB SER A 28 -0.939 -3.007 5.526 1.00 0.00 C ATOM 306 OG SER A 28 -1.158 -2.340 6.757 1.00 0.00 O ATOM 0 H SER A 28 -0.056 -1.531 3.138 1.00 0.00 H new ATOM 0 HA SER A 28 1.103 -2.363 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.757 -2.789 4.840 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.937 -4.085 5.688 1.00 0.00 H new ATOM 0 HG SER A 28 -0.540 -2.689 7.433 1.00 0.00 H new ATOM 312 N SER A 29 1.506 -4.722 4.702 1.00 0.00 N ATOM 313 CA SER A 29 2.089 -5.861 4.002 1.00 0.00 C ATOM 314 C SER A 29 1.176 -7.079 4.091 1.00 0.00 C ATOM 315 O SER A 29 0.420 -7.232 5.052 1.00 0.00 O ATOM 316 CB SER A 29 3.463 -6.196 4.586 1.00 0.00 C ATOM 317 OG SER A 29 4.368 -6.589 3.570 1.00 0.00 O ATOM 0 H SER A 29 1.561 -4.779 5.719 1.00 0.00 H new ATOM 0 HA SER A 29 2.204 -5.591 2.952 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.859 -5.328 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.364 -6.997 5.319 1.00 0.00 H new ATOM 0 HG SER A 29 5.239 -6.796 3.970 1.00 0.00 H new ATOM 323 N GLY A 30 1.243 -7.937 3.079 1.00 0.00 N ATOM 324 CA GLY A 30 0.408 -9.124 3.054 1.00 0.00 C ATOM 325 C GLY A 30 1.063 -10.321 3.718 1.00 0.00 C ATOM 326 O GLY A 30 2.128 -10.195 4.321 1.00 0.00 O ATOM 0 H GLY A 30 1.861 -7.832 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.536 -8.909 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.171 -9.373 2.020 1.00 0.00 H new ATOM 330 N PRO A 31 0.438 -11.507 3.622 1.00 0.00 N ATOM 331 CA PRO A 31 0.970 -12.732 4.224 1.00 0.00 C ATOM 332 C PRO A 31 2.196 -13.260 3.483 1.00 0.00 C ATOM 333 O PRO A 31 2.813 -12.544 2.694 1.00 0.00 O ATOM 334 CB PRO A 31 -0.195 -13.718 4.105 1.00 0.00 C ATOM 335 CG PRO A 31 -0.974 -13.241 2.930 1.00 0.00 C ATOM 336 CD PRO A 31 -0.839 -11.743 2.922 1.00 0.00 C ATOM 0 HA PRO A 31 1.308 -12.570 5.248 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.162 -14.737 3.956 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.804 -13.722 5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.589 -13.672 2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.020 -13.538 3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.819 -11.348 1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.672 -11.262 3.435 1.00 0.00 H new ATOM 344 N ILE A 32 2.544 -14.514 3.749 1.00 0.00 N ATOM 345 CA ILE A 32 3.697 -15.142 3.117 1.00 0.00 C ATOM 346 C ILE A 32 3.332 -15.737 1.760 1.00 0.00 C ATOM 347 O ILE A 32 4.185 -15.880 0.885 1.00 0.00 O ATOM 348 CB ILE A 32 4.289 -16.252 4.007 1.00 0.00 C ATOM 349 CG1 ILE A 32 4.506 -15.734 5.432 1.00 0.00 C ATOM 350 CG2 ILE A 32 5.593 -16.767 3.416 1.00 0.00 C ATOM 351 CD1 ILE A 32 3.648 -16.430 6.465 1.00 0.00 C ATOM 0 H ILE A 32 2.042 -15.117 4.400 1.00 0.00 H new ATOM 0 HA ILE A 32 4.442 -14.359 2.976 1.00 0.00 H new ATOM 0 HB ILE A 32 3.582 -17.080 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.555 -15.859 5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.295 -14.665 5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.998 -17.550 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.407 -17.172 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.309 -15.948 3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.854 -16.012 7.450 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.596 -16.284 6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.875 -17.496 6.468 1.00 0.00 H new ATOM 363 N GLN A 33 2.060 -16.084 1.592 1.00 0.00 N ATOM 364 CA GLN A 33 1.589 -16.665 0.340 1.00 0.00 C ATOM 365 C GLN A 33 1.670 -15.650 -0.795 1.00 0.00 C ATOM 366 O GLN A 33 1.860 -16.014 -1.955 1.00 0.00 O ATOM 367 CB GLN A 33 0.150 -17.161 0.493 1.00 0.00 C ATOM 368 CG GLN A 33 0.043 -18.501 1.203 1.00 0.00 C ATOM 369 CD GLN A 33 -1.059 -18.521 2.245 1.00 0.00 C ATOM 370 OE1 GLN A 33 -2.111 -17.907 2.065 1.00 0.00 O ATOM 371 NE2 GLN A 33 -0.822 -19.230 3.343 1.00 0.00 N ATOM 0 H GLN A 33 1.339 -15.973 2.305 1.00 0.00 H new ATOM 0 HA GLN A 33 2.233 -17.509 0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.425 -16.419 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.304 -17.245 -0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.143 -19.284 0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.995 -18.732 1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.064 -19.723 3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.526 -19.281 4.079 1.00 0.00 H new ATOM 380 N LYS A 34 1.528 -14.373 -0.453 1.00 0.00 N ATOM 381 CA LYS A 34 1.585 -13.306 -1.442 1.00 0.00 C ATOM 382 C LYS A 34 1.975 -11.979 -0.792 1.00 0.00 C ATOM 383 O LYS A 34 1.179 -11.042 -0.746 1.00 0.00 O ATOM 384 CB LYS A 34 0.235 -13.166 -2.150 1.00 0.00 C ATOM 385 CG LYS A 34 0.346 -12.649 -3.574 1.00 0.00 C ATOM 386 CD LYS A 34 -1.004 -12.199 -4.110 1.00 0.00 C ATOM 387 CE LYS A 34 -1.154 -10.688 -4.039 1.00 0.00 C ATOM 388 NZ LYS A 34 -2.583 -10.277 -3.944 1.00 0.00 N ATOM 0 H LYS A 34 1.373 -14.053 0.503 1.00 0.00 H new ATOM 0 HA LYS A 34 2.347 -13.566 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.262 -14.136 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.399 -12.491 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.048 -11.815 -3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.751 -13.431 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.115 -12.529 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.801 -12.672 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.609 -10.309 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.704 -10.236 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.648 -9.239 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.113 -10.674 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.987 -10.630 -3.053 1.00 0.00 H new ATOM 402 N PRO A 35 3.214 -11.885 -0.277 1.00 0.00 N ATOM 403 CA PRO A 35 3.706 -10.667 0.374 1.00 0.00 C ATOM 404 C PRO A 35 3.690 -9.466 -0.565 1.00 0.00 C ATOM 405 O PRO A 35 4.387 -9.449 -1.580 1.00 0.00 O ATOM 406 CB PRO A 35 5.146 -11.016 0.765 1.00 0.00 C ATOM 407 CG PRO A 35 5.199 -12.507 0.765 1.00 0.00 C ATOM 408 CD PRO A 35 4.227 -12.952 -0.288 1.00 0.00 C ATOM 0 HA PRO A 35 3.081 -10.382 1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.860 -10.596 0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.397 -10.613 1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.205 -12.862 0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.928 -12.908 1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.704 -13.045 -1.264 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.792 -13.923 -0.051 1.00 0.00 H new ATOM 416 N GLY A 36 2.888 -8.465 -0.221 1.00 0.00 N ATOM 417 CA GLY A 36 2.794 -7.275 -1.044 1.00 0.00 C ATOM 418 C GLY A 36 2.335 -6.061 -0.260 1.00 0.00 C ATOM 419 O GLY A 36 1.473 -6.166 0.612 1.00 0.00 O ATOM 0 H GLY A 36 2.301 -8.457 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.767 -7.068 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.099 -7.458 -1.864 1.00 0.00 H new ATOM 423 N ILE A 37 2.909 -4.906 -0.574 1.00 0.00 N ATOM 424 CA ILE A 37 2.555 -3.664 0.102 1.00 0.00 C ATOM 425 C ILE A 37 1.299 -3.052 -0.508 1.00 0.00 C ATOM 426 O ILE A 37 1.341 -2.504 -1.609 1.00 0.00 O ATOM 427 CB ILE A 37 3.700 -2.633 0.019 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.047 -3.294 0.326 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.441 -1.471 0.970 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.231 -3.659 1.783 1.00 0.00 C ATOM 0 H ILE A 37 3.624 -4.804 -1.295 1.00 0.00 H new ATOM 0 HA ILE A 37 2.372 -3.912 1.147 1.00 0.00 H new ATOM 0 HB ILE A 37 3.738 -2.243 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.145 -4.195 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.849 -2.619 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.258 -0.753 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.505 -0.982 0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.375 -1.845 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.208 -4.122 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.166 -2.759 2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.452 -4.359 2.084 1.00 0.00 H new ATOM 442 N PHE A 38 0.181 -3.142 0.210 1.00 0.00 N ATOM 443 CA PHE A 38 -1.074 -2.586 -0.282 1.00 0.00 C ATOM 444 C PHE A 38 -1.366 -1.240 0.367 1.00 0.00 C ATOM 445 O PHE A 38 -0.550 -0.714 1.125 1.00 0.00 O ATOM 446 CB PHE A 38 -2.240 -3.555 -0.057 1.00 0.00 C ATOM 447 CG PHE A 38 -2.196 -4.287 1.253 1.00 0.00 C ATOM 448 CD1 PHE A 38 -1.461 -5.453 1.387 1.00 0.00 C ATOM 449 CD2 PHE A 38 -2.903 -3.815 2.348 1.00 0.00 C ATOM 450 CE1 PHE A 38 -1.430 -6.135 2.587 1.00 0.00 C ATOM 451 CE2 PHE A 38 -2.874 -4.494 3.552 1.00 0.00 C ATOM 452 CZ PHE A 38 -2.137 -5.654 3.672 1.00 0.00 C ATOM 0 H PHE A 38 0.120 -3.590 1.124 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.966 -2.433 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.175 -2.998 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.251 -4.285 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.905 -5.833 0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.482 -2.908 2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.854 -7.044 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.428 -4.116 4.398 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.113 -6.185 4.612 1.00 0.00 H new ATOM 462 N ILE A 39 -2.524 -0.681 0.045 1.00 0.00 N ATOM 463 CA ILE A 39 -2.919 0.616 0.569 1.00 0.00 C ATOM 464 C ILE A 39 -4.017 0.487 1.620 1.00 0.00 C ATOM 465 O ILE A 39 -4.941 -0.316 1.486 1.00 0.00 O ATOM 466 CB ILE A 39 -3.406 1.533 -0.575 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.230 1.936 -1.467 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.108 2.768 -0.027 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.279 2.915 -0.810 1.00 0.00 C ATOM 0 H ILE A 39 -3.208 -1.109 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.042 1.057 1.043 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.127 0.976 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.677 1.041 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.616 2.378 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.440 3.395 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.970 2.463 0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.417 3.331 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.470 3.156 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.817 3.826 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.864 2.468 0.094 1.00 0.00 H new ATOM 481 N SER A 40 -3.902 1.301 2.664 1.00 0.00 N ATOM 482 CA SER A 40 -4.869 1.312 3.751 1.00 0.00 C ATOM 483 C SER A 40 -5.762 2.544 3.646 1.00 0.00 C ATOM 484 O SER A 40 -5.747 3.248 2.638 1.00 0.00 O ATOM 485 CB SER A 40 -4.151 1.294 5.104 1.00 0.00 C ATOM 486 OG SER A 40 -4.361 0.063 5.773 1.00 0.00 O ATOM 0 H SER A 40 -3.139 1.968 2.779 1.00 0.00 H new ATOM 0 HA SER A 40 -5.489 0.419 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.083 1.454 4.955 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.513 2.115 5.723 1.00 0.00 H new ATOM 0 HG SER A 40 -4.497 0.229 6.729 1.00 0.00 H new ATOM 492 N HIS A 41 -6.541 2.799 4.693 1.00 0.00 N ATOM 493 CA HIS A 41 -7.443 3.947 4.717 1.00 0.00 C ATOM 494 C HIS A 41 -6.734 5.213 4.240 1.00 0.00 C ATOM 495 O HIS A 41 -5.549 5.412 4.510 1.00 0.00 O ATOM 496 CB HIS A 41 -7.994 4.161 6.129 1.00 0.00 C ATOM 497 CG HIS A 41 -9.221 5.019 6.168 1.00 0.00 C ATOM 498 ND1 HIS A 41 -9.182 6.392 6.043 1.00 0.00 N ATOM 499 CD2 HIS A 41 -10.526 4.695 6.321 1.00 0.00 C ATOM 500 CE1 HIS A 41 -10.410 6.874 6.117 1.00 0.00 C ATOM 501 NE2 HIS A 41 -11.244 5.865 6.285 1.00 0.00 N ATOM 0 H HIS A 41 -6.566 2.226 5.537 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.269 3.738 4.037 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.224 3.192 6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.221 4.618 6.747 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -8.337 6.948 5.914 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.928 3.701 6.448 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.685 7.916 6.051 1.00 0.00 H new ATOM 510 N VAL A 42 -7.466 6.059 3.523 1.00 0.00 N ATOM 511 CA VAL A 42 -6.905 7.301 3.003 1.00 0.00 C ATOM 512 C VAL A 42 -7.495 8.510 3.722 1.00 0.00 C ATOM 513 O VAL A 42 -8.632 8.472 4.192 1.00 0.00 O ATOM 514 CB VAL A 42 -7.153 7.449 1.487 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.112 8.370 0.866 1.00 0.00 C ATOM 516 CG2 VAL A 42 -7.150 6.090 0.799 1.00 0.00 C ATOM 0 H VAL A 42 -8.447 5.908 3.289 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.830 7.258 3.181 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.137 7.895 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.301 8.464 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.171 9.353 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.117 7.953 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.327 6.222 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.184 5.608 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.937 5.466 1.223 1.00 0.00 H new ATOM 526 N LYS A 43 -6.713 9.579 3.806 1.00 0.00 N ATOM 527 CA LYS A 43 -7.155 10.801 4.469 1.00 0.00 C ATOM 528 C LYS A 43 -7.471 11.892 3.445 1.00 0.00 C ATOM 529 O LYS A 43 -6.567 12.445 2.820 1.00 0.00 O ATOM 530 CB LYS A 43 -6.079 11.296 5.439 1.00 0.00 C ATOM 531 CG LYS A 43 -5.459 10.190 6.278 1.00 0.00 C ATOM 532 CD LYS A 43 -4.832 10.742 7.548 1.00 0.00 C ATOM 533 CE LYS A 43 -5.780 10.627 8.731 1.00 0.00 C ATOM 534 NZ LYS A 43 -5.154 11.113 9.992 1.00 0.00 N ATOM 0 H LYS A 43 -5.769 9.625 3.423 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.064 10.575 5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.293 11.795 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.516 12.042 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.222 9.456 6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.701 9.669 5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.910 10.202 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.561 11.787 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.684 11.202 8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.084 9.587 8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.832 11.018 10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.305 10.548 10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.887 12.112 9.884 1.00 0.00 H new ATOM 548 N PRO A 44 -8.764 12.220 3.260 1.00 0.00 N ATOM 549 CA PRO A 44 -9.183 13.253 2.305 1.00 0.00 C ATOM 550 C PRO A 44 -8.399 14.550 2.474 1.00 0.00 C ATOM 551 O PRO A 44 -8.027 14.922 3.587 1.00 0.00 O ATOM 552 CB PRO A 44 -10.659 13.470 2.646 1.00 0.00 C ATOM 553 CG PRO A 44 -11.103 12.175 3.227 1.00 0.00 C ATOM 554 CD PRO A 44 -9.915 11.618 3.961 1.00 0.00 C ATOM 0 HA PRO A 44 -9.010 12.950 1.272 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.786 14.287 3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.238 13.726 1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.946 12.320 3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.434 11.491 2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.930 11.892 5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.889 10.529 3.915 1.00 0.00 H new ATOM 562 N GLY A 45 -8.143 15.231 1.362 1.00 0.00 N ATOM 563 CA GLY A 45 -7.400 16.477 1.410 1.00 0.00 C ATOM 564 C GLY A 45 -5.901 16.252 1.449 1.00 0.00 C ATOM 565 O GLY A 45 -5.182 16.941 2.170 1.00 0.00 O ATOM 0 H GLY A 45 -8.437 14.943 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.652 17.081 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.703 17.044 2.290 1.00 0.00 H new ATOM 569 N SER A 46 -5.433 15.281 0.672 1.00 0.00 N ATOM 570 CA SER A 46 -4.013 14.961 0.621 1.00 0.00 C ATOM 571 C SER A 46 -3.599 14.547 -0.787 1.00 0.00 C ATOM 572 O SER A 46 -4.392 14.624 -1.725 1.00 0.00 O ATOM 573 CB SER A 46 -3.689 13.842 1.608 1.00 0.00 C ATOM 574 OG SER A 46 -4.431 13.989 2.805 1.00 0.00 O ATOM 0 H SER A 46 -6.018 14.702 0.069 1.00 0.00 H new ATOM 0 HA SER A 46 -3.453 15.855 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.912 12.876 1.154 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.623 13.849 1.834 1.00 0.00 H new ATOM 0 HG SER A 46 -5.132 13.305 2.841 1.00 0.00 H new ATOM 580 N LEU A 47 -2.354 14.103 -0.929 1.00 0.00 N ATOM 581 CA LEU A 47 -1.841 13.674 -2.224 1.00 0.00 C ATOM 582 C LEU A 47 -2.536 12.397 -2.682 1.00 0.00 C ATOM 583 O LEU A 47 -2.999 12.303 -3.818 1.00 0.00 O ATOM 584 CB LEU A 47 -0.328 13.446 -2.157 1.00 0.00 C ATOM 585 CG LEU A 47 0.512 14.679 -1.806 1.00 0.00 C ATOM 586 CD1 LEU A 47 -0.010 15.916 -2.523 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.530 14.900 -0.302 1.00 0.00 C ATOM 0 H LEU A 47 -1.683 14.031 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.047 14.465 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.128 12.670 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.007 13.063 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 47 1.533 14.501 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.603 16.777 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.035 15.758 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.042 16.100 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.131 15.779 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.488 15.052 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.960 14.027 0.189 1.00 0.00 H new ATOM 599 N SER A 48 -2.610 11.415 -1.785 1.00 0.00 N ATOM 600 CA SER A 48 -3.252 10.141 -2.097 1.00 0.00 C ATOM 601 C SER A 48 -4.662 10.362 -2.632 1.00 0.00 C ATOM 602 O SER A 48 -5.056 9.767 -3.636 1.00 0.00 O ATOM 603 CB SER A 48 -3.298 9.251 -0.854 1.00 0.00 C ATOM 604 OG SER A 48 -3.182 10.023 0.330 1.00 0.00 O ATOM 0 H SER A 48 -2.234 11.478 -0.839 1.00 0.00 H new ATOM 0 HA SER A 48 -2.663 9.644 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.234 8.692 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.491 8.520 -0.896 1.00 0.00 H new ATOM 0 HG SER A 48 -4.070 10.158 0.721 1.00 0.00 H new ATOM 610 N ALA A 49 -5.415 11.225 -1.961 1.00 0.00 N ATOM 611 CA ALA A 49 -6.778 11.533 -2.374 1.00 0.00 C ATOM 612 C ALA A 49 -6.786 12.190 -3.747 1.00 0.00 C ATOM 613 O ALA A 49 -7.639 11.899 -4.585 1.00 0.00 O ATOM 614 CB ALA A 49 -7.447 12.438 -1.351 1.00 0.00 C ATOM 0 H ALA A 49 -5.104 11.724 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.339 10.600 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.465 12.660 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.473 11.937 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.883 13.367 -1.263 1.00 0.00 H new ATOM 620 N GLU A 50 -5.824 13.078 -3.968 1.00 0.00 N ATOM 621 CA GLU A 50 -5.705 13.783 -5.237 1.00 0.00 C ATOM 622 C GLU A 50 -5.518 12.798 -6.385 1.00 0.00 C ATOM 623 O GLU A 50 -6.251 12.829 -7.373 1.00 0.00 O ATOM 624 CB GLU A 50 -4.523 14.752 -5.188 1.00 0.00 C ATOM 625 CG GLU A 50 -4.773 15.977 -4.327 1.00 0.00 C ATOM 626 CD GLU A 50 -3.529 16.439 -3.595 1.00 0.00 C ATOM 627 OE1 GLU A 50 -2.426 16.335 -4.174 1.00 0.00 O ATOM 628 OE2 GLU A 50 -3.654 16.903 -2.443 1.00 0.00 O ATOM 0 H GLU A 50 -5.112 13.327 -3.281 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.624 14.344 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.648 14.225 -4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.286 15.074 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.143 16.788 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.555 15.753 -3.601 1.00 0.00 H new ATOM 635 N VAL A 51 -4.529 11.923 -6.244 1.00 0.00 N ATOM 636 CA VAL A 51 -4.236 10.923 -7.261 1.00 0.00 C ATOM 637 C VAL A 51 -5.358 9.896 -7.364 1.00 0.00 C ATOM 638 O VAL A 51 -5.588 9.318 -8.428 1.00 0.00 O ATOM 639 CB VAL A 51 -2.914 10.195 -6.962 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.744 11.165 -7.032 1.00 0.00 C ATOM 641 CG2 VAL A 51 -2.973 9.520 -5.600 1.00 0.00 C ATOM 0 H VAL A 51 -3.914 11.887 -5.431 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.146 11.452 -8.210 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.765 9.425 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.817 10.633 -6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.691 11.599 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.885 11.958 -6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.029 9.010 -5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.145 10.271 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.787 8.795 -5.588 1.00 0.00 H new ATOM 651 N GLY A 52 -6.055 9.673 -6.254 1.00 0.00 N ATOM 652 CA GLY A 52 -7.143 8.717 -6.241 1.00 0.00 C ATOM 653 C GLY A 52 -6.731 7.379 -5.657 1.00 0.00 C ATOM 654 O GLY A 52 -6.708 6.367 -6.357 1.00 0.00 O ATOM 0 H GLY A 52 -5.884 10.139 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.973 9.123 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.506 8.570 -7.258 1.00 0.00 H new ATOM 658 N LEU A 53 -6.405 7.375 -4.368 1.00 0.00 N ATOM 659 CA LEU A 53 -5.988 6.153 -3.690 1.00 0.00 C ATOM 660 C LEU A 53 -7.090 5.639 -2.769 1.00 0.00 C ATOM 661 O LEU A 53 -7.951 6.400 -2.328 1.00 0.00 O ATOM 662 CB LEU A 53 -4.709 6.399 -2.887 1.00 0.00 C ATOM 663 CG LEU A 53 -3.409 6.264 -3.682 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.234 6.795 -2.875 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.175 4.814 -4.078 1.00 0.00 C ATOM 0 H LEU A 53 -6.422 8.203 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.791 5.396 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.753 7.401 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.681 5.698 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.497 6.858 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.317 6.691 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.399 7.847 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.143 6.228 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.246 4.736 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.107 4.198 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.004 4.467 -4.694 1.00 0.00 H new ATOM 677 N GLU A 54 -7.055 4.342 -2.480 1.00 0.00 N ATOM 678 CA GLU A 54 -8.048 3.724 -1.611 1.00 0.00 C ATOM 679 C GLU A 54 -7.604 2.326 -1.190 1.00 0.00 C ATOM 680 O GLU A 54 -6.721 1.733 -1.808 1.00 0.00 O ATOM 681 CB GLU A 54 -9.403 3.652 -2.322 1.00 0.00 C ATOM 682 CG GLU A 54 -10.408 4.675 -1.819 1.00 0.00 C ATOM 683 CD GLU A 54 -11.793 4.464 -2.396 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.915 4.403 -3.637 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.757 4.360 -1.608 1.00 0.00 O ATOM 0 H GLU A 54 -6.348 3.698 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.148 4.339 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.251 3.799 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.819 2.653 -2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.460 4.624 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.061 5.676 -2.075 1.00 0.00 H new ATOM 692 N ILE A 55 -8.225 1.805 -0.135 1.00 0.00 N ATOM 693 CA ILE A 55 -7.891 0.477 0.366 1.00 0.00 C ATOM 694 C ILE A 55 -8.038 -0.574 -0.730 1.00 0.00 C ATOM 695 O ILE A 55 -8.903 -0.461 -1.600 1.00 0.00 O ATOM 696 CB ILE A 55 -8.781 0.085 1.564 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.743 1.178 2.635 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.336 -1.251 2.143 1.00 0.00 C ATOM 699 CD1 ILE A 55 -10.112 1.567 3.148 1.00 0.00 C ATOM 0 H ILE A 55 -8.960 2.281 0.388 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.852 0.514 0.695 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.808 -0.019 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.134 0.835 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.253 2.061 2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.974 -1.512 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.413 -2.023 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.302 -1.175 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.010 2.346 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.717 1.940 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.597 0.696 3.588 1.00 0.00 H new ATOM 711 N GLY A 56 -7.190 -1.594 -0.683 1.00 0.00 N ATOM 712 CA GLY A 56 -7.242 -2.648 -1.679 1.00 0.00 C ATOM 713 C GLY A 56 -6.138 -2.522 -2.709 1.00 0.00 C ATOM 714 O GLY A 56 -5.646 -3.525 -3.226 1.00 0.00 O ATOM 0 H GLY A 56 -6.467 -1.710 0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.165 -3.616 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.209 -2.623 -2.181 1.00 0.00 H new ATOM 718 N ASP A 57 -5.750 -1.287 -3.007 1.00 0.00 N ATOM 719 CA ASP A 57 -4.695 -1.031 -3.981 1.00 0.00 C ATOM 720 C ASP A 57 -3.393 -1.707 -3.562 1.00 0.00 C ATOM 721 O ASP A 57 -3.246 -2.126 -2.413 1.00 0.00 O ATOM 722 CB ASP A 57 -4.476 0.475 -4.139 1.00 0.00 C ATOM 723 CG ASP A 57 -5.474 1.109 -5.089 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.004 0.389 -5.962 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.727 2.326 -4.961 1.00 0.00 O ATOM 0 H ASP A 57 -6.150 -0.447 -2.588 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.007 -1.448 -4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.552 0.955 -3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.465 0.656 -4.505 1.00 0.00 H new ATOM 730 N GLN A 58 -2.451 -1.814 -4.496 1.00 0.00 N ATOM 731 CA GLN A 58 -1.168 -2.447 -4.210 1.00 0.00 C ATOM 732 C GLN A 58 -0.041 -1.810 -5.018 1.00 0.00 C ATOM 733 O GLN A 58 -0.003 -1.920 -6.244 1.00 0.00 O ATOM 734 CB GLN A 58 -1.237 -3.947 -4.504 1.00 0.00 C ATOM 735 CG GLN A 58 -0.686 -4.813 -3.383 1.00 0.00 C ATOM 736 CD GLN A 58 0.180 -5.947 -3.893 1.00 0.00 C ATOM 737 OE1 GLN A 58 -0.001 -7.103 -3.511 1.00 0.00 O ATOM 738 NE2 GLN A 58 1.131 -5.622 -4.763 1.00 0.00 N ATOM 0 H GLN A 58 -2.552 -1.472 -5.452 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.954 -2.298 -3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.274 -4.225 -4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.682 -4.155 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.102 -4.192 -2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.514 -5.225 -2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.247 -4.651 -5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.745 -6.344 -5.141 1.00 0.00 H new ATOM 747 N ILE A 59 0.878 -1.151 -4.321 1.00 0.00 N ATOM 748 CA ILE A 59 2.010 -0.504 -4.969 1.00 0.00 C ATOM 749 C ILE A 59 2.973 -1.543 -5.534 1.00 0.00 C ATOM 750 O ILE A 59 3.548 -2.339 -4.792 1.00 0.00 O ATOM 751 CB ILE A 59 2.772 0.410 -3.991 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.802 1.361 -3.288 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.850 1.195 -4.724 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.468 2.269 -2.279 1.00 0.00 C ATOM 0 H ILE A 59 0.860 -1.051 -3.306 1.00 0.00 H new ATOM 0 HA ILE A 59 1.611 0.105 -5.781 1.00 0.00 H new ATOM 0 HB ILE A 59 3.254 -0.214 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.298 1.972 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.033 0.775 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.378 1.835 -4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.555 0.503 -5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.390 1.810 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.719 2.915 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.948 1.666 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.218 2.881 -2.780 1.00 0.00 H new ATOM 766 N VAL A 60 3.137 -1.540 -6.855 1.00 0.00 N ATOM 767 CA VAL A 60 4.022 -2.491 -7.517 1.00 0.00 C ATOM 768 C VAL A 60 5.320 -1.834 -7.983 1.00 0.00 C ATOM 769 O VAL A 60 6.117 -2.456 -8.685 1.00 0.00 O ATOM 770 CB VAL A 60 3.331 -3.146 -8.728 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.130 -3.965 -8.281 1.00 0.00 C ATOM 772 CG2 VAL A 60 2.918 -2.089 -9.742 1.00 0.00 C ATOM 0 H VAL A 60 2.669 -0.890 -7.486 1.00 0.00 H new ATOM 0 HA VAL A 60 4.261 -3.254 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 60 4.041 -3.820 -9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.656 -4.420 -9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.458 -4.747 -7.596 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.415 -3.316 -7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.431 -2.570 -10.591 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.225 -1.388 -9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.801 -1.551 -10.087 1.00 0.00 H new ATOM 782 N GLU A 61 5.533 -0.580 -7.593 1.00 0.00 N ATOM 783 CA GLU A 61 6.743 0.136 -7.982 1.00 0.00 C ATOM 784 C GLU A 61 6.791 1.522 -7.346 1.00 0.00 C ATOM 785 O GLU A 61 5.761 2.170 -7.166 1.00 0.00 O ATOM 786 CB GLU A 61 6.821 0.258 -9.506 1.00 0.00 C ATOM 787 CG GLU A 61 8.222 0.048 -10.061 1.00 0.00 C ATOM 788 CD GLU A 61 8.305 -1.138 -11.003 1.00 0.00 C ATOM 789 OE1 GLU A 61 8.416 -2.280 -10.511 1.00 0.00 O ATOM 790 OE2 GLU A 61 8.263 -0.923 -12.232 1.00 0.00 O ATOM 0 H GLU A 61 4.889 -0.043 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 61 7.600 -0.435 -7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.148 -0.472 -9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.466 1.245 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.539 0.948 -10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.918 -0.100 -9.235 1.00 0.00 H new ATOM 797 N VAL A 62 7.998 1.968 -7.011 1.00 0.00 N ATOM 798 CA VAL A 62 8.189 3.277 -6.398 1.00 0.00 C ATOM 799 C VAL A 62 9.533 3.876 -6.802 1.00 0.00 C ATOM 800 O VAL A 62 10.572 3.533 -6.239 1.00 0.00 O ATOM 801 CB VAL A 62 8.113 3.192 -4.859 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.303 4.565 -4.230 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.791 2.579 -4.425 1.00 0.00 C ATOM 0 H VAL A 62 8.859 1.441 -7.154 1.00 0.00 H new ATOM 0 HA VAL A 62 7.385 3.920 -6.756 1.00 0.00 H new ATOM 0 HB VAL A 62 8.921 2.548 -4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.245 4.479 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.278 4.962 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.522 5.238 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.754 2.526 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.968 3.195 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.702 1.575 -4.840 1.00 0.00 H new ATOM 813 N ASN A 63 9.503 4.773 -7.784 1.00 0.00 N ATOM 814 CA ASN A 63 10.719 5.420 -8.264 1.00 0.00 C ATOM 815 C ASN A 63 11.673 4.400 -8.876 1.00 0.00 C ATOM 816 O ASN A 63 12.891 4.567 -8.826 1.00 0.00 O ATOM 817 CB ASN A 63 11.413 6.165 -7.123 1.00 0.00 C ATOM 818 CG ASN A 63 12.114 7.423 -7.592 1.00 0.00 C ATOM 819 OD1 ASN A 63 12.636 7.478 -8.707 1.00 0.00 O ATOM 820 ND2 ASN A 63 12.132 8.444 -6.743 1.00 0.00 N ATOM 0 H ASN A 63 8.651 5.067 -8.262 1.00 0.00 H new ATOM 0 HA ASN A 63 10.437 6.136 -9.036 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.677 6.425 -6.363 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.139 5.503 -6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.591 9.317 -7.005 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.687 8.355 -5.829 1.00 0.00 H new ATOM 827 N GLY A 64 11.112 3.344 -9.454 1.00 0.00 N ATOM 828 CA GLY A 64 11.928 2.313 -10.067 1.00 0.00 C ATOM 829 C GLY A 64 12.110 1.107 -9.166 1.00 0.00 C ATOM 830 O GLY A 64 12.284 -0.013 -9.645 1.00 0.00 O ATOM 0 H GLY A 64 10.106 3.183 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.467 1.997 -11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.905 2.727 -10.317 1.00 0.00 H new ATOM 834 N VAL A 65 12.070 1.338 -7.858 1.00 0.00 N ATOM 835 CA VAL A 65 12.231 0.262 -6.887 1.00 0.00 C ATOM 836 C VAL A 65 11.077 -0.731 -6.973 1.00 0.00 C ATOM 837 O VAL A 65 9.909 -0.345 -6.952 1.00 0.00 O ATOM 838 CB VAL A 65 12.318 0.809 -5.451 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.677 -0.302 -4.476 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.326 1.945 -5.372 1.00 0.00 C ATOM 0 H VAL A 65 11.928 2.260 -7.446 1.00 0.00 H new ATOM 0 HA VAL A 65 13.164 -0.247 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 65 11.340 1.202 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.734 0.104 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.913 -1.079 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.642 -0.729 -4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.374 2.319 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.309 1.581 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.019 2.751 -6.039 1.00 0.00 H new ATOM 850 N ASP A 66 11.413 -2.013 -7.070 1.00 0.00 N ATOM 851 CA ASP A 66 10.407 -3.063 -7.162 1.00 0.00 C ATOM 852 C ASP A 66 9.730 -3.286 -5.812 1.00 0.00 C ATOM 853 O ASP A 66 10.389 -3.592 -4.818 1.00 0.00 O ATOM 854 CB ASP A 66 11.041 -4.366 -7.651 1.00 0.00 C ATOM 855 CG ASP A 66 10.214 -5.044 -8.724 1.00 0.00 C ATOM 856 OD1 ASP A 66 9.123 -5.557 -8.397 1.00 0.00 O ATOM 857 OD2 ASP A 66 10.657 -5.063 -9.892 1.00 0.00 O ATOM 0 H ASP A 66 12.376 -2.349 -7.087 1.00 0.00 H new ATOM 0 HA ASP A 66 9.651 -2.746 -7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.037 -4.158 -8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.165 -5.046 -6.808 1.00 0.00 H new ATOM 862 N PHE A 67 8.409 -3.131 -5.785 1.00 0.00 N ATOM 863 CA PHE A 67 7.642 -3.316 -4.558 1.00 0.00 C ATOM 864 C PHE A 67 6.996 -4.698 -4.518 1.00 0.00 C ATOM 865 O PHE A 67 5.967 -4.893 -3.872 1.00 0.00 O ATOM 866 CB PHE A 67 6.570 -2.233 -4.437 1.00 0.00 C ATOM 867 CG PHE A 67 6.970 -1.086 -3.553 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.215 -0.493 -3.688 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.101 -0.601 -2.589 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.586 0.563 -2.876 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.468 0.453 -1.773 1.00 0.00 C ATOM 872 CZ PHE A 67 7.712 1.037 -1.917 1.00 0.00 C ATOM 0 H PHE A 67 7.848 -2.878 -6.599 1.00 0.00 H new ATOM 0 HA PHE A 67 8.328 -3.235 -3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.338 -1.851 -5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.656 -2.680 -4.046 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.903 -0.859 -4.435 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.126 -1.051 -2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.559 1.017 -2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.783 0.820 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.000 1.862 -1.282 1.00 0.00 H new ATOM 882 N SER A 68 7.608 -5.656 -5.210 1.00 0.00 N ATOM 883 CA SER A 68 7.090 -7.019 -5.249 1.00 0.00 C ATOM 884 C SER A 68 7.402 -7.749 -3.947 1.00 0.00 C ATOM 885 O SER A 68 6.500 -8.076 -3.174 1.00 0.00 O ATOM 886 CB SER A 68 7.687 -7.782 -6.433 1.00 0.00 C ATOM 887 OG SER A 68 6.720 -8.620 -7.040 1.00 0.00 O ATOM 0 H SER A 68 8.461 -5.513 -5.750 1.00 0.00 H new ATOM 0 HA SER A 68 6.008 -6.970 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.073 -7.075 -7.168 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.531 -8.382 -6.094 1.00 0.00 H new ATOM 0 HG SER A 68 7.126 -9.095 -7.795 1.00 0.00 H new ATOM 893 N ASN A 69 8.685 -7.997 -3.707 1.00 0.00 N ATOM 894 CA ASN A 69 9.118 -8.681 -2.495 1.00 0.00 C ATOM 895 C ASN A 69 9.709 -7.688 -1.500 1.00 0.00 C ATOM 896 O ASN A 69 10.599 -8.026 -0.721 1.00 0.00 O ATOM 897 CB ASN A 69 10.150 -9.758 -2.834 1.00 0.00 C ATOM 898 CG ASN A 69 11.397 -9.182 -3.479 1.00 0.00 C ATOM 899 OD1 ASN A 69 11.329 -8.934 -4.782 1.00 0.00 O flip ATOM 900 ND2 ASN A 69 12.409 -8.962 -2.812 1.00 0.00 N flip ATOM 0 H ASN A 69 9.443 -7.734 -4.336 1.00 0.00 H new ATOM 0 HA ASN A 69 8.248 -9.154 -2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.428 -10.290 -1.924 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.701 -10.489 -3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.416 -9.168 -1.813 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.240 -8.574 -3.259 1.00 0.00 H new ATOM 907 N LEU A 70 9.205 -6.458 -1.537 1.00 0.00 N ATOM 908 CA LEU A 70 9.679 -5.408 -0.643 1.00 0.00 C ATOM 909 C LEU A 70 9.058 -5.549 0.742 1.00 0.00 C ATOM 910 O LEU A 70 7.905 -5.958 0.879 1.00 0.00 O ATOM 911 CB LEU A 70 9.348 -4.031 -1.226 1.00 0.00 C ATOM 912 CG LEU A 70 9.822 -2.842 -0.388 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.074 -2.226 -0.993 1.00 0.00 C ATOM 914 CD2 LEU A 70 8.719 -1.799 -0.265 1.00 0.00 C ATOM 0 H LEU A 70 8.468 -6.164 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 70 10.760 -5.507 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.793 -3.957 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.268 -3.958 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 70 10.066 -3.203 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.396 -1.382 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.867 -2.973 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.858 -1.881 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.076 -0.961 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.442 -1.443 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.849 -2.245 0.216 1.00 0.00 H new ATOM 926 N ASP A 71 9.830 -5.204 1.768 1.00 0.00 N ATOM 927 CA ASP A 71 9.355 -5.287 3.144 1.00 0.00 C ATOM 928 C ASP A 71 8.485 -4.083 3.490 1.00 0.00 C ATOM 929 O ASP A 71 8.511 -3.067 2.796 1.00 0.00 O ATOM 930 CB ASP A 71 10.539 -5.372 4.110 1.00 0.00 C ATOM 931 CG ASP A 71 10.210 -6.160 5.363 1.00 0.00 C ATOM 932 OD1 ASP A 71 10.121 -7.402 5.276 1.00 0.00 O ATOM 933 OD2 ASP A 71 10.041 -5.533 6.430 1.00 0.00 O ATOM 0 H ASP A 71 10.787 -4.864 1.672 1.00 0.00 H new ATOM 0 HA ASP A 71 8.751 -6.189 3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.384 -5.837 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.849 -4.365 4.389 1.00 0.00 H new ATOM 938 N HIS A 72 7.715 -4.203 4.566 1.00 0.00 N ATOM 939 CA HIS A 72 6.839 -3.122 4.999 1.00 0.00 C ATOM 940 C HIS A 72 7.641 -1.867 5.327 1.00 0.00 C ATOM 941 O HIS A 72 7.370 -0.789 4.799 1.00 0.00 O ATOM 942 CB HIS A 72 6.024 -3.552 6.219 1.00 0.00 C ATOM 943 CG HIS A 72 4.948 -2.579 6.593 1.00 0.00 C ATOM 944 ND1 HIS A 72 3.690 -2.967 7.002 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.950 -1.226 6.620 1.00 0.00 C ATOM 946 CE1 HIS A 72 2.964 -1.894 7.261 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.705 -0.825 7.039 1.00 0.00 N ATOM 0 H HIS A 72 7.680 -5.036 5.153 1.00 0.00 H new ATOM 0 HA HIS A 72 6.159 -2.893 4.179 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.571 -4.523 6.019 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.696 -3.682 7.067 1.00 0.00 H new ATOM 0 HD1 HIS A 72 3.370 -3.931 7.091 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.777 -0.581 6.360 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.938 -1.892 7.597 1.00 0.00 H new ATOM 956 N LYS A 73 8.629 -2.015 6.205 1.00 0.00 N ATOM 957 CA LYS A 73 9.472 -0.892 6.604 1.00 0.00 C ATOM 958 C LYS A 73 10.125 -0.238 5.391 1.00 0.00 C ATOM 959 O LYS A 73 10.259 0.983 5.328 1.00 0.00 O ATOM 960 CB LYS A 73 10.550 -1.359 7.584 1.00 0.00 C ATOM 961 CG LYS A 73 10.059 -1.473 9.019 1.00 0.00 C ATOM 962 CD LYS A 73 9.614 -0.125 9.568 1.00 0.00 C ATOM 963 CE LYS A 73 8.170 -0.158 10.041 1.00 0.00 C ATOM 964 NZ LYS A 73 7.278 0.646 9.161 1.00 0.00 N ATOM 0 H LYS A 73 8.865 -2.900 6.653 1.00 0.00 H new ATOM 0 HA LYS A 73 8.837 -0.154 7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.929 -2.328 7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.387 -0.662 7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.228 -2.177 9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.854 -1.877 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.262 0.162 10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.727 0.637 8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.820 -1.190 10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.113 0.223 11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.398 0.868 9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.757 1.530 8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.055 0.102 8.303 1.00 0.00 H new ATOM 978 N GLU A 74 10.532 -1.060 4.430 1.00 0.00 N ATOM 979 CA GLU A 74 11.172 -0.561 3.217 1.00 0.00 C ATOM 980 C GLU A 74 10.231 0.356 2.443 1.00 0.00 C ATOM 981 O GLU A 74 10.620 1.443 2.017 1.00 0.00 O ATOM 982 CB GLU A 74 11.612 -1.726 2.330 1.00 0.00 C ATOM 983 CG GLU A 74 13.005 -2.241 2.651 1.00 0.00 C ATOM 984 CD GLU A 74 13.400 -3.426 1.789 1.00 0.00 C ATOM 985 OE1 GLU A 74 12.757 -4.490 1.914 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.351 -3.289 0.993 1.00 0.00 O ATOM 0 H GLU A 74 10.431 -2.074 4.467 1.00 0.00 H new ATOM 0 HA GLU A 74 12.050 0.014 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.898 -2.543 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.582 -1.410 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.727 -1.437 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.049 -2.529 3.701 1.00 0.00 H new ATOM 993 N ALA A 75 8.991 -0.090 2.263 1.00 0.00 N ATOM 994 CA ALA A 75 7.994 0.691 1.539 1.00 0.00 C ATOM 995 C ALA A 75 7.780 2.053 2.191 1.00 0.00 C ATOM 996 O ALA A 75 7.716 3.076 1.509 1.00 0.00 O ATOM 997 CB ALA A 75 6.682 -0.075 1.466 1.00 0.00 C ATOM 0 H ALA A 75 8.653 -0.988 2.609 1.00 0.00 H new ATOM 0 HA ALA A 75 8.363 0.860 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.945 0.517 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.841 -1.020 0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.319 -0.271 2.475 1.00 0.00 H new ATOM 1003 N VAL A 76 7.668 2.057 3.514 1.00 0.00 N ATOM 1004 CA VAL A 76 7.460 3.294 4.258 1.00 0.00 C ATOM 1005 C VAL A 76 8.705 4.173 4.230 1.00 0.00 C ATOM 1006 O VAL A 76 8.620 5.380 4.004 1.00 0.00 O ATOM 1007 CB VAL A 76 7.079 3.009 5.724 1.00 0.00 C ATOM 1008 CG1 VAL A 76 6.712 4.298 6.445 1.00 0.00 C ATOM 1009 CG2 VAL A 76 5.936 2.009 5.794 1.00 0.00 C ATOM 0 H VAL A 76 7.718 1.219 4.093 1.00 0.00 H new ATOM 0 HA VAL A 76 6.639 3.820 3.771 1.00 0.00 H new ATOM 0 HB VAL A 76 7.944 2.575 6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.446 4.074 7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.563 4.979 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.863 4.765 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.681 1.820 6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.067 2.413 5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.240 1.076 5.320 1.00 0.00 H new ATOM 1019 N ASN A 77 9.864 3.562 4.463 1.00 0.00 N ATOM 1020 CA ASN A 77 11.128 4.292 4.469 1.00 0.00 C ATOM 1021 C ASN A 77 11.331 5.057 3.165 1.00 0.00 C ATOM 1022 O ASN A 77 11.573 6.263 3.176 1.00 0.00 O ATOM 1023 CB ASN A 77 12.295 3.329 4.696 1.00 0.00 C ATOM 1024 CG ASN A 77 13.402 3.949 5.527 1.00 0.00 C ATOM 1025 OD1 ASN A 77 14.561 3.981 5.111 1.00 0.00 O ATOM 1026 ND2 ASN A 77 13.052 4.444 6.707 1.00 0.00 N ATOM 0 H ASN A 77 9.954 2.563 4.650 1.00 0.00 H new ATOM 0 HA ASN A 77 11.094 5.013 5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.930 2.431 5.194 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.698 3.018 3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.755 4.872 7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.080 4.396 7.012 1.00 0.00 H new ATOM 1033 N VAL A 78 11.231 4.351 2.045 1.00 0.00 N ATOM 1034 CA VAL A 78 11.404 4.971 0.737 1.00 0.00 C ATOM 1035 C VAL A 78 10.373 6.071 0.511 1.00 0.00 C ATOM 1036 O VAL A 78 10.699 7.151 0.018 1.00 0.00 O ATOM 1037 CB VAL A 78 11.296 3.934 -0.398 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.394 2.888 -0.270 1.00 0.00 C ATOM 1039 CG2 VAL A 78 9.924 3.279 -0.400 1.00 0.00 C ATOM 0 H VAL A 78 11.031 3.351 2.016 1.00 0.00 H new ATOM 0 HA VAL A 78 12.403 5.406 0.723 1.00 0.00 H new ATOM 0 HB VAL A 78 11.425 4.451 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.303 2.164 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.368 3.374 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.299 2.376 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.870 2.551 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.760 2.776 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.158 4.040 -0.545 1.00 0.00 H new ATOM 1049 N LEU A 79 9.126 5.791 0.880 1.00 0.00 N ATOM 1050 CA LEU A 79 8.046 6.760 0.721 1.00 0.00 C ATOM 1051 C LEU A 79 8.249 7.952 1.652 1.00 0.00 C ATOM 1052 O LEU A 79 7.858 9.075 1.333 1.00 0.00 O ATOM 1053 CB LEU A 79 6.694 6.099 1.001 1.00 0.00 C ATOM 1054 CG LEU A 79 5.935 5.626 -0.239 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.468 6.816 -1.064 1.00 0.00 C ATOM 1056 CD2 LEU A 79 6.807 4.704 -1.079 1.00 0.00 C ATOM 0 H LEU A 79 8.839 4.903 1.290 1.00 0.00 H new ATOM 0 HA LEU A 79 8.058 7.119 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.854 5.244 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.067 6.806 1.544 1.00 0.00 H new ATOM 0 HG LEU A 79 5.058 5.067 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.930 6.461 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.808 7.440 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.332 7.401 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.250 4.377 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.703 5.239 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.093 3.835 -0.487 1.00 0.00 H new ATOM 1068 N LYS A 80 8.862 7.700 2.804 1.00 0.00 N ATOM 1069 CA LYS A 80 9.118 8.753 3.782 1.00 0.00 C ATOM 1070 C LYS A 80 10.383 9.531 3.427 1.00 0.00 C ATOM 1071 O LYS A 80 10.501 10.717 3.734 1.00 0.00 O ATOM 1072 CB LYS A 80 9.255 8.152 5.184 1.00 0.00 C ATOM 1073 CG LYS A 80 7.992 8.265 6.023 1.00 0.00 C ATOM 1074 CD LYS A 80 6.796 7.640 5.322 1.00 0.00 C ATOM 1075 CE LYS A 80 5.634 7.436 6.279 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.130 8.728 6.823 1.00 0.00 N ATOM 0 H LYS A 80 9.191 6.776 3.084 1.00 0.00 H new ATOM 0 HA LYS A 80 8.273 9.441 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.528 7.101 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.073 8.650 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.148 7.775 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.785 9.315 6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.481 8.279 4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.086 6.682 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.825 6.919 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.949 6.794 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.183 8.588 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.777 9.070 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.077 9.430 6.057 1.00 0.00 H new ATOM 1090 N SER A 81 11.328 8.852 2.783 1.00 0.00 N ATOM 1091 CA SER A 81 12.586 9.476 2.392 1.00 0.00 C ATOM 1092 C SER A 81 12.375 10.489 1.271 1.00 0.00 C ATOM 1093 O SER A 81 12.566 11.689 1.460 1.00 0.00 O ATOM 1094 CB SER A 81 13.590 8.411 1.946 1.00 0.00 C ATOM 1095 OG SER A 81 14.918 8.903 2.013 1.00 0.00 O ATOM 0 H SER A 81 11.245 7.870 2.521 1.00 0.00 H new ATOM 0 HA SER A 81 12.981 10.003 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.493 7.528 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.365 8.099 0.926 1.00 0.00 H new ATOM 0 HG SER A 81 15.541 8.204 1.725 1.00 0.00 H new ATOM 1101 N SER A 82 11.983 9.996 0.099 1.00 0.00 N ATOM 1102 CA SER A 82 11.752 10.860 -1.053 1.00 0.00 C ATOM 1103 C SER A 82 10.373 11.509 -0.987 1.00 0.00 C ATOM 1104 O SER A 82 9.351 10.821 -0.989 1.00 0.00 O ATOM 1105 CB SER A 82 11.889 10.060 -2.350 1.00 0.00 C ATOM 1106 OG SER A 82 13.212 10.127 -2.854 1.00 0.00 O ATOM 0 H SER A 82 11.819 9.005 -0.077 1.00 0.00 H new ATOM 0 HA SER A 82 12.503 11.650 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.618 9.020 -2.170 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.193 10.447 -3.094 1.00 0.00 H new ATOM 0 HG SER A 82 13.273 9.606 -3.682 1.00 0.00 H new ATOM 1112 N ARG A 83 10.352 12.837 -0.933 1.00 0.00 N ATOM 1113 CA ARG A 83 9.098 13.578 -0.872 1.00 0.00 C ATOM 1114 C ARG A 83 8.341 13.460 -2.190 1.00 0.00 C ATOM 1115 O ARG A 83 7.120 13.312 -2.207 1.00 0.00 O ATOM 1116 CB ARG A 83 9.366 15.051 -0.553 1.00 0.00 C ATOM 1117 CG ARG A 83 10.256 15.258 0.660 1.00 0.00 C ATOM 1118 CD ARG A 83 10.132 16.671 1.207 1.00 0.00 C ATOM 1119 NE ARG A 83 11.004 17.610 0.503 1.00 0.00 N ATOM 1120 CZ ARG A 83 11.371 18.791 0.994 1.00 0.00 C ATOM 1121 NH1 ARG A 83 10.945 19.184 2.187 1.00 0.00 N ATOM 1122 NH2 ARG A 83 12.166 19.583 0.288 1.00 0.00 N ATOM 0 H ARG A 83 11.188 13.421 -0.930 1.00 0.00 H new ATOM 0 HA ARG A 83 8.486 13.150 -0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.830 15.523 -1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.415 15.557 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.988 14.541 1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.293 15.061 0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.097 17.003 1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.380 16.672 2.268 1.00 0.00 H new ATOM 0 HE ARG A 83 11.351 17.344 -0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.332 18.580 2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.230 20.091 2.557 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.496 19.287 -0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.448 20.489 0.664 1.00 0.00 H new ATOM 1136 N SER A 84 9.080 13.525 -3.294 1.00 0.00 N ATOM 1137 CA SER A 84 8.486 13.421 -4.621 1.00 0.00 C ATOM 1138 C SER A 84 8.956 12.151 -5.321 1.00 0.00 C ATOM 1139 O SER A 84 10.082 12.085 -5.816 1.00 0.00 O ATOM 1140 CB SER A 84 8.850 14.647 -5.462 1.00 0.00 C ATOM 1141 OG SER A 84 10.235 14.669 -5.756 1.00 0.00 O ATOM 0 H SER A 84 10.092 13.649 -3.295 1.00 0.00 H new ATOM 0 HA SER A 84 7.403 13.376 -4.509 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.278 14.639 -6.390 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.574 15.555 -4.926 1.00 0.00 H new ATOM 0 HG SER A 84 10.612 13.774 -5.622 1.00 0.00 H new ATOM 1147 N LEU A 85 8.094 11.140 -5.353 1.00 0.00 N ATOM 1148 CA LEU A 85 8.432 9.869 -5.986 1.00 0.00 C ATOM 1149 C LEU A 85 7.264 9.337 -6.812 1.00 0.00 C ATOM 1150 O LEU A 85 6.101 9.518 -6.452 1.00 0.00 O ATOM 1151 CB LEU A 85 8.838 8.828 -4.932 1.00 0.00 C ATOM 1152 CG LEU A 85 8.708 9.277 -3.474 1.00 0.00 C ATOM 1153 CD1 LEU A 85 7.250 9.539 -3.122 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.307 8.229 -2.545 1.00 0.00 C ATOM 0 H LEU A 85 7.158 11.175 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 85 9.276 10.048 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.228 7.936 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.873 8.538 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 85 9.260 10.208 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.178 9.857 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.855 10.322 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.672 8.626 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.208 8.560 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.780 7.284 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.362 8.092 -2.783 1.00 0.00 H new ATOM 1166 N THR A 86 7.588 8.667 -7.914 1.00 0.00 N ATOM 1167 CA THR A 86 6.571 8.091 -8.784 1.00 0.00 C ATOM 1168 C THR A 86 6.276 6.656 -8.369 1.00 0.00 C ATOM 1169 O THR A 86 7.153 5.794 -8.414 1.00 0.00 O ATOM 1170 CB THR A 86 7.028 8.133 -10.243 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.534 9.414 -10.574 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.923 7.809 -11.226 1.00 0.00 C ATOM 0 H THR A 86 8.547 8.510 -8.225 1.00 0.00 H new ATOM 0 HA THR A 86 5.659 8.681 -8.688 1.00 0.00 H new ATOM 0 HB THR A 86 7.801 7.369 -10.325 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.823 9.420 -11.511 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.314 7.857 -12.242 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.544 6.806 -11.030 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.114 8.531 -11.115 1.00 0.00 H new ATOM 1180 N ILE A 87 5.042 6.407 -7.950 1.00 0.00 N ATOM 1181 CA ILE A 87 4.639 5.078 -7.511 1.00 0.00 C ATOM 1182 C ILE A 87 3.649 4.442 -8.480 1.00 0.00 C ATOM 1183 O ILE A 87 2.656 5.058 -8.868 1.00 0.00 O ATOM 1184 CB ILE A 87 4.011 5.123 -6.105 1.00 0.00 C ATOM 1185 CG1 ILE A 87 2.851 6.122 -6.074 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.063 5.489 -5.067 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.225 6.282 -4.706 1.00 0.00 C ATOM 0 H ILE A 87 4.303 7.108 -7.905 1.00 0.00 H new ATOM 0 HA ILE A 87 5.543 4.470 -7.483 1.00 0.00 H new ATOM 0 HB ILE A 87 3.621 4.134 -5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.210 7.093 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.085 5.799 -6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.605 5.517 -4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.859 4.744 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.480 6.468 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.411 7.005 -4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.835 5.321 -4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.977 6.636 -4.001 1.00 0.00 H new ATOM 1199 N SER A 88 3.927 3.198 -8.860 1.00 0.00 N ATOM 1200 CA SER A 88 3.064 2.464 -9.778 1.00 0.00 C ATOM 1201 C SER A 88 2.218 1.451 -9.014 1.00 0.00 C ATOM 1202 O SER A 88 2.710 0.401 -8.600 1.00 0.00 O ATOM 1203 CB SER A 88 3.901 1.753 -10.843 1.00 0.00 C ATOM 1204 OG SER A 88 3.271 1.811 -12.109 1.00 0.00 O ATOM 0 H SER A 88 4.745 2.677 -8.545 1.00 0.00 H new ATOM 0 HA SER A 88 2.401 3.174 -10.271 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.887 2.214 -10.903 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.052 0.712 -10.556 1.00 0.00 H new ATOM 0 HG SER A 88 3.827 1.351 -12.772 1.00 0.00 H new ATOM 1210 N ILE A 89 0.947 1.779 -8.821 1.00 0.00 N ATOM 1211 CA ILE A 89 0.030 0.908 -8.099 1.00 0.00 C ATOM 1212 C ILE A 89 -0.922 0.194 -9.053 1.00 0.00 C ATOM 1213 O ILE A 89 -1.245 0.707 -10.120 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.788 1.714 -7.066 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.780 0.808 -6.325 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.504 2.874 -7.742 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.158 0.749 -6.954 1.00 0.00 C ATOM 0 H ILE A 89 0.527 2.646 -9.156 1.00 0.00 H new ATOM 0 HA ILE A 89 0.631 0.161 -7.580 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.099 2.124 -6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.370 -0.201 -6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.877 1.158 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.075 3.431 -7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.771 3.534 -8.205 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.180 2.489 -8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.797 0.087 -6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.592 1.749 -6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.077 0.368 -7.972 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.374 -0.992 -8.660 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.297 -1.766 -9.481 1.00 0.00 C ATOM 1231 C VAL A 90 -3.528 -2.171 -8.676 1.00 0.00 C ATOM 1232 O VAL A 90 -3.430 -2.915 -7.701 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.623 -3.027 -10.053 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.566 -3.764 -10.991 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.328 -2.663 -10.767 1.00 0.00 C ATOM 0 H VAL A 90 -1.117 -1.438 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.601 -1.128 -10.311 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.382 -3.692 -9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.069 -4.651 -11.383 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.462 -4.061 -10.446 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.844 -3.109 -11.817 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.135 -3.566 -11.165 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.544 -1.976 -11.585 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.354 -2.186 -10.063 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.685 -1.664 -9.087 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.940 -1.955 -8.406 1.00 0.00 C ATOM 1247 C ALA A 91 -6.211 -3.457 -8.342 1.00 0.00 C ATOM 1248 O ALA A 91 -5.953 -4.184 -9.301 1.00 0.00 O ATOM 1249 CB ALA A 91 -7.090 -1.240 -9.098 1.00 0.00 C ATOM 0 H ALA A 91 -4.779 -1.046 -9.893 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.856 -1.591 -7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.022 -1.465 -8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.914 -0.164 -9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.159 -1.577 -10.132 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.735 -3.908 -7.200 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.058 -5.322 -6.983 1.00 0.00 C ATOM 1257 C ALA A 92 -5.837 -6.127 -6.540 1.00 0.00 C ATOM 1258 O ALA A 92 -5.976 -7.182 -5.920 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.671 -5.936 -8.234 1.00 0.00 C ATOM 0 H ALA A 92 -6.947 -3.308 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.790 -5.362 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.902 -6.985 -8.049 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.586 -5.403 -8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.964 -5.861 -9.060 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.643 -5.629 -6.850 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.411 -6.312 -6.473 1.00 0.00 C ATOM 1267 C ALA A 93 -3.311 -6.474 -4.957 1.00 0.00 C ATOM 1268 O ALA A 93 -2.575 -7.324 -4.460 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.208 -5.551 -7.007 1.00 0.00 C ATOM 0 H ALA A 93 -4.503 -4.757 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.425 -7.308 -6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.293 -6.069 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.267 -5.494 -8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.200 -4.544 -6.590 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.057 -5.648 -4.229 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.044 -5.705 -2.778 1.00 0.00 C ATOM 1277 C GLY A 94 -5.336 -6.260 -2.211 1.00 0.00 C ATOM 1278 O GLY A 94 -5.340 -6.886 -1.151 1.00 0.00 O ATOM 0 H GLY A 94 -4.674 -4.936 -4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.210 -6.325 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.875 -4.705 -2.379 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.435 -6.016 -2.915 1.00 0.00 N ATOM 1283 CA ARG A 95 -7.749 -6.477 -2.481 1.00 0.00 C ATOM 1284 C ARG A 95 -7.768 -7.989 -2.281 1.00 0.00 C ATOM 1285 O ARG A 95 -8.447 -8.497 -1.388 1.00 0.00 O ATOM 1286 CB ARG A 95 -8.812 -6.080 -3.507 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.129 -4.595 -3.513 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.415 -4.302 -4.268 1.00 0.00 C ATOM 1289 NE ARG A 95 -11.086 -3.105 -3.762 1.00 0.00 N ATOM 1290 CZ ARG A 95 -12.369 -2.826 -3.982 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -13.123 -3.653 -4.697 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -12.900 -1.717 -3.484 1.00 0.00 N ATOM 0 H ARG A 95 -6.442 -5.498 -3.794 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.970 -6.002 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.473 -6.374 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.727 -6.637 -3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.219 -4.237 -2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.305 -4.048 -3.971 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.192 -4.173 -5.327 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.087 -5.156 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.539 -2.446 -3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.720 -4.508 -5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.105 -3.434 -4.862 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.325 -1.079 -2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.883 -1.502 -3.652 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.017 -8.707 -3.111 1.00 0.00 N ATOM 1307 CA GLU A 96 -6.952 -10.163 -3.015 1.00 0.00 C ATOM 1308 C GLU A 96 -6.661 -10.602 -1.582 1.00 0.00 C ATOM 1309 O GLU A 96 -7.349 -11.463 -1.033 1.00 0.00 O ATOM 1310 CB GLU A 96 -5.876 -10.712 -3.955 1.00 0.00 C ATOM 1311 CG GLU A 96 -5.865 -12.229 -4.046 1.00 0.00 C ATOM 1312 CD GLU A 96 -5.264 -12.730 -5.344 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -4.151 -12.286 -5.694 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -5.907 -13.567 -6.012 1.00 0.00 O ATOM 0 H GLU A 96 -6.446 -8.307 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.922 -10.563 -3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.030 -10.298 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.899 -10.370 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.300 -12.636 -3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.885 -12.602 -3.954 1.00 0.00 H new ATOM 1321 N LEU A 97 -5.637 -10.002 -0.982 1.00 0.00 N ATOM 1322 CA LEU A 97 -5.255 -10.326 0.388 1.00 0.00 C ATOM 1323 C LEU A 97 -6.284 -9.798 1.384 1.00 0.00 C ATOM 1324 O LEU A 97 -6.608 -10.462 2.368 1.00 0.00 O ATOM 1325 CB LEU A 97 -3.878 -9.744 0.706 1.00 0.00 C ATOM 1326 CG LEU A 97 -2.805 -9.998 -0.355 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -1.549 -9.198 -0.044 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -2.486 -11.484 -0.441 1.00 0.00 C ATOM 0 H LEU A 97 -5.057 -9.289 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.215 -11.412 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.979 -8.668 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.535 -10.159 1.654 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.189 -9.671 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.796 -9.391 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.789 -8.135 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.161 -9.495 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.721 -11.649 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.121 -11.834 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.388 -12.035 -0.709 1.00 0.00 H new ATOM 1340 N PHE A 98 -6.789 -8.596 1.122 1.00 0.00 N ATOM 1341 CA PHE A 98 -7.779 -7.973 1.997 1.00 0.00 C ATOM 1342 C PHE A 98 -8.982 -8.888 2.207 1.00 0.00 C ATOM 1343 O PHE A 98 -9.424 -9.096 3.337 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.233 -6.635 1.413 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.490 -5.456 1.975 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -7.706 -5.043 3.280 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.574 -4.764 1.199 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -7.022 -3.961 3.800 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -5.889 -3.681 1.715 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.113 -3.279 3.018 1.00 0.00 C ATOM 0 H PHE A 98 -6.530 -8.034 0.312 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.311 -7.800 2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.102 -6.656 0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.299 -6.507 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.417 -5.573 3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.394 -5.074 0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.199 -3.649 4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.178 -3.149 1.100 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.578 -2.433 3.423 1.00 0.00 H new ATOM 1360 N MET A 99 -9.507 -9.432 1.114 1.00 0.00 N ATOM 1361 CA MET A 99 -10.659 -10.324 1.183 1.00 0.00 C ATOM 1362 C MET A 99 -10.221 -11.757 1.474 1.00 0.00 C ATOM 1363 O MET A 99 -9.318 -12.285 0.825 1.00 0.00 O ATOM 1364 CB MET A 99 -11.449 -10.275 -0.125 1.00 0.00 C ATOM 1365 CG MET A 99 -10.601 -10.541 -1.359 1.00 0.00 C ATOM 1366 SD MET A 99 -11.453 -11.554 -2.584 1.00 0.00 S ATOM 1367 CE MET A 99 -11.900 -12.979 -1.593 1.00 0.00 C ATOM 0 H MET A 99 -9.154 -9.271 0.171 1.00 0.00 H new ATOM 0 HA MET A 99 -11.300 -9.986 1.998 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.253 -11.010 -0.082 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.917 -9.295 -0.220 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.318 -9.591 -1.812 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.678 -11.039 -1.060 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.966 -13.860 -2.231 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.142 -13.142 -0.827 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.865 -12.803 -1.117 1.00 0.00 H new ATOM 1377 N THR A 100 -10.868 -12.381 2.454 1.00 0.00 N ATOM 1378 CA THR A 100 -10.546 -13.752 2.829 1.00 0.00 C ATOM 1379 C THR A 100 -11.765 -14.456 3.417 1.00 0.00 C ATOM 1380 O THR A 100 -12.743 -13.812 3.796 1.00 0.00 O ATOM 1381 CB THR A 100 -9.395 -13.771 3.838 1.00 0.00 C ATOM 1382 OG1 THR A 100 -8.373 -12.872 3.449 1.00 0.00 O ATOM 1383 CG2 THR A 100 -8.768 -15.138 4.003 1.00 0.00 C ATOM 0 H THR A 100 -11.618 -11.959 3.002 1.00 0.00 H new ATOM 0 HA THR A 100 -10.240 -14.286 1.929 1.00 0.00 H new ATOM 0 HB THR A 100 -9.838 -13.476 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.647 -12.897 4.107 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.959 -15.082 4.732 1.00 0.00 H new ATOM 0 HG22 THR A 100 -9.522 -15.844 4.351 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.371 -15.474 3.045 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -2.694 -14.360 10.812 1.00 0.00 N ATOM 1393 CA THR B 111 -2.032 -13.415 11.705 1.00 0.00 C ATOM 1394 C THR B 111 -2.301 -11.977 11.270 1.00 0.00 C ATOM 1395 O THR B 111 -2.528 -11.708 10.091 1.00 0.00 O ATOM 1396 CB THR B 111 -0.526 -13.677 11.734 1.00 0.00 C ATOM 1397 OG1 THR B 111 -0.080 -14.182 10.488 1.00 0.00 O ATOM 1398 CG2 THR B 111 -0.110 -14.666 12.803 1.00 0.00 C ATOM 0 HA THR B 111 -2.437 -13.556 12.707 1.00 0.00 H new ATOM 0 HB THR B 111 -0.071 -12.712 11.956 1.00 0.00 H new ATOM 0 HG1 THR B 111 -0.846 -14.524 9.981 1.00 0.00 H new ATOM 0 HG21 THR B 111 0.970 -14.806 12.768 1.00 0.00 H new ATOM 0 HG22 THR B 111 -0.395 -14.284 13.783 1.00 0.00 H new ATOM 0 HG23 THR B 111 -0.605 -15.621 12.628 1.00 0.00 H new ATOM 1406 N PRO B 112 -2.278 -11.028 12.223 1.00 0.00 N ATOM 1407 CA PRO B 112 -2.519 -9.612 11.932 1.00 0.00 C ATOM 1408 C PRO B 112 -1.388 -8.991 11.118 1.00 0.00 C ATOM 1409 O PRO B 112 -0.262 -9.488 11.121 1.00 0.00 O ATOM 1410 CB PRO B 112 -2.593 -8.968 13.318 1.00 0.00 C ATOM 1411 CG PRO B 112 -1.810 -9.874 14.202 1.00 0.00 C ATOM 1412 CD PRO B 112 -2.012 -11.262 13.656 1.00 0.00 C ATOM 0 HA PRO B 112 -3.418 -9.467 11.333 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -2.172 -7.963 13.310 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -3.625 -8.879 13.658 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -0.754 -9.604 14.201 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -2.155 -9.806 15.234 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -1.130 -11.885 13.805 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -2.846 -11.768 14.142 1.00 0.00 H new ATOM 1420 N LEU B 113 -1.696 -7.902 10.420 1.00 0.00 N ATOM 1421 CA LEU B 113 -0.706 -7.214 9.601 1.00 0.00 C ATOM 1422 C LEU B 113 -0.458 -5.801 10.115 1.00 0.00 C ATOM 1423 O LEU B 113 -1.388 -5.105 10.524 1.00 0.00 O ATOM 1424 CB LEU B 113 -1.167 -7.162 8.143 1.00 0.00 C ATOM 1425 CG LEU B 113 -1.765 -8.464 7.604 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -2.676 -8.182 6.421 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -0.661 -9.432 7.210 1.00 0.00 C ATOM 0 H LEU B 113 -2.623 -7.478 10.406 1.00 0.00 H new ATOM 0 HA LEU B 113 0.228 -7.773 9.662 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -1.909 -6.370 8.041 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.317 -6.885 7.519 1.00 0.00 H new ATOM 0 HG LEU B 113 -2.360 -8.924 8.393 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -3.092 -9.119 6.051 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.486 -7.524 6.735 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.104 -7.701 5.628 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -1.103 -10.353 6.829 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -0.040 -8.980 6.436 1.00 0.00 H new ATOM 0 HD23 LEU B 113 -0.047 -9.658 8.082 1.00 0.00 H new ATOM 1439 N GLU B 114 0.804 -5.380 10.090 1.00 0.00 N ATOM 1440 CA GLU B 114 1.173 -4.046 10.551 1.00 0.00 C ATOM 1441 C GLU B 114 0.667 -2.983 9.583 1.00 0.00 C ATOM 1442 O GLU B 114 0.385 -3.274 8.421 1.00 0.00 O ATOM 1443 CB GLU B 114 2.692 -3.938 10.697 1.00 0.00 C ATOM 1444 CG GLU B 114 3.290 -4.973 11.636 1.00 0.00 C ATOM 1445 CD GLU B 114 3.878 -4.356 12.889 1.00 0.00 C ATOM 1446 OE1 GLU B 114 3.184 -3.538 13.529 1.00 0.00 O ATOM 1447 OE2 GLU B 114 5.033 -4.688 13.229 1.00 0.00 O ATOM 0 H GLU B 114 1.586 -5.943 9.756 1.00 0.00 H new ATOM 0 HA GLU B 114 0.709 -3.880 11.523 1.00 0.00 H new ATOM 0 HB2 GLU B 114 3.151 -4.044 9.714 1.00 0.00 H new ATOM 0 HB3 GLU B 114 2.943 -2.942 11.061 1.00 0.00 H new ATOM 0 HG2 GLU B 114 2.519 -5.691 11.917 1.00 0.00 H new ATOM 0 HG3 GLU B 114 4.067 -5.528 11.111 1.00 0.00 H new ATOM 1454 N ILE B 115 0.553 -1.750 10.069 1.00 0.00 N ATOM 1455 CA ILE B 115 0.079 -0.645 9.244 1.00 0.00 C ATOM 1456 C ILE B 115 0.852 0.633 9.550 1.00 0.00 C ATOM 1457 O ILE B 115 1.187 0.907 10.702 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.426 -0.384 9.452 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.182 -1.701 9.655 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.998 0.382 8.268 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.667 -1.517 9.874 1.00 0.00 C ATOM 0 H ILE B 115 0.782 -1.492 11.029 1.00 0.00 H new ATOM 0 HA ILE B 115 0.245 -0.933 8.206 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.549 0.221 10.350 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.027 -2.337 8.784 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.759 -2.225 10.512 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -3.061 0.559 8.429 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.482 1.337 8.169 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.861 -0.201 7.357 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.138 -2.490 10.010 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.831 -0.907 10.762 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.104 -1.021 9.007 1.00 0.00 H new ATOM 1473 N THR B 116 1.133 1.412 8.509 1.00 0.00 N ATOM 1474 CA THR B 116 1.868 2.663 8.669 1.00 0.00 C ATOM 1475 C THR B 116 1.137 3.815 7.985 1.00 0.00 C ATOM 1476 O THR B 116 0.500 3.630 6.949 1.00 0.00 O ATOM 1477 CB THR B 116 3.281 2.524 8.096 1.00 0.00 C ATOM 1478 OG1 THR B 116 3.997 1.502 8.768 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.097 3.795 8.197 1.00 0.00 C ATOM 0 H THR B 116 0.864 1.200 7.548 1.00 0.00 H new ATOM 0 HA THR B 116 1.936 2.884 9.734 1.00 0.00 H new ATOM 0 HB THR B 116 3.141 2.283 7.042 1.00 0.00 H new ATOM 0 HG1 THR B 116 3.948 0.672 8.249 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.087 3.627 7.773 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.598 4.593 7.647 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.195 4.082 9.244 1.00 0.00 H new ATOM 1487 N GLU B 117 1.237 5.003 8.573 1.00 0.00 N ATOM 1488 CA GLU B 117 0.588 6.186 8.020 1.00 0.00 C ATOM 1489 C GLU B 117 1.578 7.035 7.232 1.00 0.00 C ATOM 1490 O GLU B 117 2.542 7.561 7.789 1.00 0.00 O ATOM 1491 CB GLU B 117 -0.037 7.020 9.141 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.223 6.346 9.814 1.00 0.00 C ATOM 1493 CD GLU B 117 -2.374 7.301 10.061 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -2.592 8.197 9.219 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -3.058 7.153 11.095 1.00 0.00 O ATOM 0 H GLU B 117 1.761 5.172 9.432 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.197 5.854 7.340 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.724 7.232 9.892 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -0.358 7.979 8.733 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.568 5.520 9.192 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -0.902 5.917 10.763 1.00 0.00 H new ATOM 1502 N LEU B 118 1.337 7.164 5.933 1.00 0.00 N ATOM 1503 CA LEU B 118 2.207 7.950 5.065 1.00 0.00 C ATOM 1504 C LEU B 118 1.648 9.355 4.863 1.00 0.00 C ATOM 1505 O LEU B 118 2.307 10.160 4.171 1.00 0.00 O ATOM 1506 CB LEU B 118 2.374 7.256 3.712 1.00 0.00 C ATOM 1507 CG LEU B 118 2.970 5.848 3.774 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.284 4.929 2.776 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.470 5.894 3.515 1.00 0.00 C ATOM 1510 OXT LEU B 118 0.556 9.639 5.398 1.00 0.00 O ATOM 0 H LEU B 118 0.545 6.734 5.456 1.00 0.00 H new ATOM 0 HA LEU B 118 3.181 8.032 5.547 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.399 7.200 3.227 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.010 7.875 3.079 1.00 0.00 H new ATOM 0 HG LEU B 118 2.804 5.449 4.775 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.723 3.933 2.837 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.220 4.871 3.006 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.416 5.323 1.768 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.879 4.885 3.563 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.656 6.314 2.527 1.00 0.00 H new ATOM 0 HD23 LEU B 118 4.951 6.516 4.270 1.00 0.00 H new TER 1522 LEU B 118