USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 690 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 46 TYR OH : rot -41:sc= 0.866 USER MOD Set 1.2: A 61 THR OG1 : rot -166:sc= 0.894 USER MOD Set 2.1: A 15 GLN : amide:sc= -0.864 K(o=-0.86,f=-1.5) USER MOD Set 2.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 10 LYS NZ :NH3+ 152:sc= -1.06 (180deg=-1.77!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 56:sc= 0.741 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.168 K(o=-0.17,f=0.83) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= -0.0447 (180deg=-0.373) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 26 SER OG : rot 151:sc= -0.83 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 100:sc= -0.0519 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 0.251 (180deg=0.163) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 110:sc= -1.16 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -110:sc= -0.57 (180deg=-1.62!) USER MOD Single : A 53 TYR OH : rot 150:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -161:sc=-0.00416 (180deg=-0.129) USER MOD Single : A 58 HIS : no HD1:sc= -8.97! C(o=-9!,f=-14!) USER MOD Single : A 64 THR OG1 : rot 129:sc= -2.03 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= 0.0587 (180deg=0.034) USER MOD Single : A 70 HIS : no HE2:sc= -6.73 X(o=-6.7,f=-7!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0977 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.947 -23.125 -5.447 1.00 0.00 N ATOM 2 CA GLY A 1 9.917 -23.263 -6.462 1.00 0.00 C ATOM 3 C GLY A 1 8.927 -24.370 -6.092 1.00 0.00 C ATOM 4 O GLY A 1 9.325 -25.510 -5.859 1.00 0.00 O ATOM 0 H1 GLY A 1 11.606 -22.368 -5.721 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.506 -22.887 -4.535 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.467 -24.021 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.385 -22.318 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.377 -23.488 -7.424 1.00 0.00 H new ATOM 8 N SER A 2 7.657 -23.994 -6.049 1.00 0.00 N ATOM 9 CA SER A 2 6.608 -24.940 -5.711 1.00 0.00 C ATOM 10 C SER A 2 5.243 -24.252 -5.773 1.00 0.00 C ATOM 11 O SER A 2 5.141 -23.046 -5.553 1.00 0.00 O ATOM 12 CB SER A 2 6.836 -25.544 -4.324 1.00 0.00 C ATOM 13 OG SER A 2 7.424 -26.840 -4.395 1.00 0.00 O ATOM 0 H SER A 2 7.331 -23.047 -6.243 1.00 0.00 H new ATOM 0 HA SER A 2 6.632 -25.751 -6.439 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.481 -24.885 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.885 -25.606 -3.795 1.00 0.00 H new ATOM 0 HG SER A 2 8.261 -26.792 -4.902 1.00 0.00 H new ATOM 19 N SER A 3 4.227 -25.048 -6.073 1.00 0.00 N ATOM 20 CA SER A 3 2.873 -24.531 -6.166 1.00 0.00 C ATOM 21 C SER A 3 2.364 -24.143 -4.777 1.00 0.00 C ATOM 22 O SER A 3 1.969 -22.999 -4.553 1.00 0.00 O ATOM 23 CB SER A 3 1.935 -25.555 -6.808 1.00 0.00 C ATOM 24 OG SER A 3 2.277 -25.815 -8.166 1.00 0.00 O ATOM 0 H SER A 3 4.315 -26.048 -6.255 1.00 0.00 H new ATOM 0 HA SER A 3 2.889 -23.645 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.971 -26.485 -6.241 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.909 -25.190 -6.756 1.00 0.00 H new ATOM 0 HG SER A 3 1.656 -26.475 -8.539 1.00 0.00 H new ATOM 30 N GLY A 4 2.391 -25.116 -3.878 1.00 0.00 N ATOM 31 CA GLY A 4 1.937 -24.891 -2.516 1.00 0.00 C ATOM 32 C GLY A 4 2.556 -23.617 -1.936 1.00 0.00 C ATOM 33 O GLY A 4 1.839 -22.707 -1.523 1.00 0.00 O ATOM 0 H GLY A 4 2.720 -26.063 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.850 -24.812 -2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.204 -25.745 -1.894 1.00 0.00 H new ATOM 37 N SER A 5 3.880 -23.593 -1.924 1.00 0.00 N ATOM 38 CA SER A 5 4.603 -22.446 -1.402 1.00 0.00 C ATOM 39 C SER A 5 3.956 -21.151 -1.894 1.00 0.00 C ATOM 40 O SER A 5 3.498 -20.338 -1.092 1.00 0.00 O ATOM 41 CB SER A 5 6.077 -22.492 -1.810 1.00 0.00 C ATOM 42 OG SER A 5 6.945 -22.500 -0.680 1.00 0.00 O ATOM 0 H SER A 5 4.471 -24.350 -2.267 1.00 0.00 H new ATOM 0 HA SER A 5 4.554 -22.478 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.258 -23.382 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.306 -21.630 -2.437 1.00 0.00 H new ATOM 0 HG SER A 5 7.876 -22.531 -0.983 1.00 0.00 H new ATOM 48 N SER A 6 3.938 -20.999 -3.210 1.00 0.00 N ATOM 49 CA SER A 6 3.354 -19.815 -3.819 1.00 0.00 C ATOM 50 C SER A 6 2.048 -19.452 -3.109 1.00 0.00 C ATOM 51 O SER A 6 1.941 -18.386 -2.505 1.00 0.00 O ATOM 52 CB SER A 6 3.104 -20.031 -5.313 1.00 0.00 C ATOM 53 OG SER A 6 4.041 -19.322 -6.119 1.00 0.00 O ATOM 0 H SER A 6 4.318 -21.676 -3.872 1.00 0.00 H new ATOM 0 HA SER A 6 4.060 -18.991 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.163 -21.095 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.093 -19.707 -5.562 1.00 0.00 H new ATOM 0 HG SER A 6 3.849 -19.487 -7.066 1.00 0.00 H new ATOM 59 N GLY A 7 1.087 -20.360 -3.206 1.00 0.00 N ATOM 60 CA GLY A 7 -0.207 -20.148 -2.580 1.00 0.00 C ATOM 61 C GLY A 7 -0.051 -19.520 -1.194 1.00 0.00 C ATOM 62 O GLY A 7 -0.759 -18.575 -0.853 1.00 0.00 O ATOM 0 H GLY A 7 1.179 -21.243 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.817 -19.501 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.734 -21.099 -2.495 1.00 0.00 H new ATOM 66 N ASP A 8 0.882 -20.072 -0.432 1.00 0.00 N ATOM 67 CA ASP A 8 1.141 -19.578 0.910 1.00 0.00 C ATOM 68 C ASP A 8 1.137 -18.048 0.895 1.00 0.00 C ATOM 69 O ASP A 8 0.373 -17.418 1.625 1.00 0.00 O ATOM 70 CB ASP A 8 2.509 -20.042 1.414 1.00 0.00 C ATOM 71 CG ASP A 8 2.598 -20.272 2.924 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.926 -21.214 3.395 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.337 -19.499 3.572 1.00 0.00 O ATOM 0 H ASP A 8 1.468 -20.856 -0.718 1.00 0.00 H new ATOM 0 HA ASP A 8 0.364 -19.967 1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.772 -20.969 0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.255 -19.300 1.130 1.00 0.00 H new ATOM 78 N GLN A 9 2.000 -17.494 0.055 1.00 0.00 N ATOM 79 CA GLN A 9 2.105 -16.050 -0.065 1.00 0.00 C ATOM 80 C GLN A 9 0.933 -15.497 -0.878 1.00 0.00 C ATOM 81 O GLN A 9 0.425 -14.416 -0.586 1.00 0.00 O ATOM 82 CB GLN A 9 3.443 -15.648 -0.689 1.00 0.00 C ATOM 83 CG GLN A 9 4.600 -16.414 -0.046 1.00 0.00 C ATOM 84 CD GLN A 9 5.421 -17.157 -1.102 1.00 0.00 C ATOM 85 OE1 GLN A 9 5.269 -18.348 -1.319 1.00 0.00 O ATOM 86 NE2 GLN A 9 6.296 -16.389 -1.745 1.00 0.00 N ATOM 0 H GLN A 9 2.632 -18.019 -0.549 1.00 0.00 H new ATOM 0 HA GLN A 9 2.063 -15.618 0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.422 -15.846 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.599 -14.576 -0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.242 -15.721 0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.210 -17.125 0.683 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.372 -15.398 -1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.891 -16.791 -2.470 1.00 0.00 H new ATOM 95 N LYS A 10 0.537 -16.266 -1.882 1.00 0.00 N ATOM 96 CA LYS A 10 -0.566 -15.867 -2.740 1.00 0.00 C ATOM 97 C LYS A 10 -1.762 -15.467 -1.873 1.00 0.00 C ATOM 98 O LYS A 10 -2.445 -14.487 -2.165 1.00 0.00 O ATOM 99 CB LYS A 10 -0.882 -16.968 -3.753 1.00 0.00 C ATOM 100 CG LYS A 10 -1.029 -16.391 -5.163 1.00 0.00 C ATOM 101 CD LYS A 10 0.338 -16.213 -5.827 1.00 0.00 C ATOM 102 CE LYS A 10 0.385 -16.924 -7.181 1.00 0.00 C ATOM 103 NZ LYS A 10 0.783 -18.339 -7.010 1.00 0.00 N ATOM 0 H LYS A 10 0.960 -17.163 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.293 -14.992 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.088 -17.715 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.802 -17.477 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.648 -17.053 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.542 -15.431 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.546 -15.151 -5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.117 -16.610 -5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.592 -16.870 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.091 -16.418 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.375 -18.910 -7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.820 -18.414 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.434 -18.690 -6.095 1.00 0.00 H new ATOM 117 N LYS A 11 -1.978 -16.247 -0.823 1.00 0.00 N ATOM 118 CA LYS A 11 -3.079 -15.987 0.088 1.00 0.00 C ATOM 119 C LYS A 11 -2.801 -14.697 0.862 1.00 0.00 C ATOM 120 O LYS A 11 -3.683 -13.851 1.003 1.00 0.00 O ATOM 121 CB LYS A 11 -3.330 -17.201 0.985 1.00 0.00 C ATOM 122 CG LYS A 11 -4.438 -18.087 0.411 1.00 0.00 C ATOM 123 CD LYS A 11 -3.984 -18.762 -0.885 1.00 0.00 C ATOM 124 CE LYS A 11 -4.800 -20.027 -1.159 1.00 0.00 C ATOM 125 NZ LYS A 11 -4.457 -21.086 -0.184 1.00 0.00 N ATOM 0 H LYS A 11 -1.409 -17.059 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.005 -15.833 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.412 -17.780 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.607 -16.868 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.717 -18.846 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.327 -17.486 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.092 -18.068 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.926 -19.015 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.864 -19.800 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.606 -20.380 -2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.693 -22.016 -0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.439 -21.048 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.997 -20.939 0.692 1.00 0.00 H new ATOM 139 N PHE A 12 -1.572 -14.587 1.344 1.00 0.00 N ATOM 140 CA PHE A 12 -1.167 -13.415 2.101 1.00 0.00 C ATOM 141 C PHE A 12 -1.360 -12.139 1.279 1.00 0.00 C ATOM 142 O PHE A 12 -2.073 -11.228 1.698 1.00 0.00 O ATOM 143 CB PHE A 12 0.320 -13.581 2.421 1.00 0.00 C ATOM 144 CG PHE A 12 0.977 -12.324 2.995 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.392 -11.333 2.162 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.146 -12.199 4.339 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.002 -10.167 2.695 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.756 -11.033 4.872 1.00 0.00 C ATOM 149 CZ PHE A 12 2.171 -10.041 4.039 1.00 0.00 C ATOM 0 H PHE A 12 -0.843 -15.291 1.225 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.770 -13.329 3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.439 -14.398 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.847 -13.871 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.258 -11.433 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.816 -12.987 5.000 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.332 -9.380 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.891 -10.934 5.939 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.634 -9.154 4.444 1.00 0.00 H new ATOM 159 N ILE A 13 -0.711 -12.113 0.124 1.00 0.00 N ATOM 160 CA ILE A 13 -0.803 -10.964 -0.760 1.00 0.00 C ATOM 161 C ILE A 13 -2.275 -10.648 -1.029 1.00 0.00 C ATOM 162 O ILE A 13 -2.680 -9.487 -1.003 1.00 0.00 O ATOM 163 CB ILE A 13 0.018 -11.198 -2.030 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.377 -9.872 -2.704 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.709 -12.147 -2.985 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.573 -9.213 -2.014 1.00 0.00 C ATOM 0 H ILE A 13 -0.119 -12.869 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.370 -10.083 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 13 0.954 -11.679 -1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.609 -10.045 -3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.481 -9.200 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.104 -12.297 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.871 -13.106 -2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.670 -11.716 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.808 -8.272 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.329 -9.019 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.436 -9.877 -2.068 1.00 0.00 H new ATOM 178 N ASP A 14 -3.037 -11.703 -1.282 1.00 0.00 N ATOM 179 CA ASP A 14 -4.456 -11.553 -1.555 1.00 0.00 C ATOM 180 C ASP A 14 -5.118 -10.804 -0.397 1.00 0.00 C ATOM 181 O ASP A 14 -5.737 -9.760 -0.600 1.00 0.00 O ATOM 182 CB ASP A 14 -5.139 -12.915 -1.688 1.00 0.00 C ATOM 183 CG ASP A 14 -5.838 -13.160 -3.026 1.00 0.00 C ATOM 184 OD1 ASP A 14 -6.836 -12.452 -3.283 1.00 0.00 O ATOM 185 OD2 ASP A 14 -5.360 -14.050 -3.763 1.00 0.00 O ATOM 0 H ASP A 14 -2.698 -12.665 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.562 -11.003 -2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.393 -13.695 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.873 -13.016 -0.888 1.00 0.00 H new ATOM 190 N GLN A 15 -4.965 -11.365 0.794 1.00 0.00 N ATOM 191 CA GLN A 15 -5.540 -10.764 1.985 1.00 0.00 C ATOM 192 C GLN A 15 -5.273 -9.257 2.000 1.00 0.00 C ATOM 193 O GLN A 15 -6.126 -8.476 2.418 1.00 0.00 O ATOM 194 CB GLN A 15 -4.998 -11.429 3.251 1.00 0.00 C ATOM 195 CG GLN A 15 -4.005 -10.514 3.970 1.00 0.00 C ATOM 196 CD GLN A 15 -3.538 -11.138 5.286 1.00 0.00 C ATOM 197 OE1 GLN A 15 -3.549 -10.517 6.337 1.00 0.00 O ATOM 198 NE2 GLN A 15 -3.127 -12.398 5.172 1.00 0.00 N ATOM 0 H GLN A 15 -4.451 -12.230 0.959 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.618 -10.923 1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.823 -11.672 3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.510 -12.369 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.145 -10.328 3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.471 -9.549 4.167 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.144 -12.860 4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.795 -12.903 5.994 1.00 0.00 H new ATOM 207 N VAL A 16 -4.085 -8.894 1.539 1.00 0.00 N ATOM 208 CA VAL A 16 -3.695 -7.495 1.495 1.00 0.00 C ATOM 209 C VAL A 16 -4.536 -6.769 0.443 1.00 0.00 C ATOM 210 O VAL A 16 -5.099 -5.710 0.717 1.00 0.00 O ATOM 211 CB VAL A 16 -2.191 -7.379 1.241 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.748 -5.915 1.230 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.397 -8.184 2.272 1.00 0.00 C ATOM 0 H VAL A 16 -3.380 -9.545 1.193 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.887 -7.014 2.454 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.984 -7.799 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.675 -5.861 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.278 -5.381 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.976 -5.459 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.331 -8.084 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.612 -7.807 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.681 -9.234 2.211 1.00 0.00 H new ATOM 223 N ILE A 17 -4.596 -7.367 -0.737 1.00 0.00 N ATOM 224 CA ILE A 17 -5.359 -6.790 -1.831 1.00 0.00 C ATOM 225 C ILE A 17 -6.691 -6.263 -1.295 1.00 0.00 C ATOM 226 O ILE A 17 -7.094 -5.145 -1.615 1.00 0.00 O ATOM 227 CB ILE A 17 -5.511 -7.801 -2.970 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.145 -8.276 -3.468 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.366 -7.227 -4.101 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.128 -7.132 -3.454 1.00 0.00 C ATOM 0 H ILE A 17 -4.129 -8.246 -0.960 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.828 -5.940 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.034 -8.676 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.788 -9.092 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.240 -8.671 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.459 -7.965 -4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.356 -6.980 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.893 -6.327 -4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.165 -7.497 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.476 -6.328 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.018 -6.756 -2.437 1.00 0.00 H new ATOM 242 N GLU A 18 -7.338 -7.091 -0.488 1.00 0.00 N ATOM 243 CA GLU A 18 -8.616 -6.722 0.096 1.00 0.00 C ATOM 244 C GLU A 18 -8.508 -5.365 0.795 1.00 0.00 C ATOM 245 O GLU A 18 -9.334 -4.481 0.572 1.00 0.00 O ATOM 246 CB GLU A 18 -9.109 -7.800 1.064 1.00 0.00 C ATOM 247 CG GLU A 18 -9.873 -8.897 0.320 1.00 0.00 C ATOM 248 CD GLU A 18 -11.183 -8.356 -0.259 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.126 -7.821 -1.387 1.00 0.00 O ATOM 250 OE2 GLU A 18 -12.210 -8.491 0.440 1.00 0.00 O ATOM 0 H GLU A 18 -7.001 -8.017 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.349 -6.638 -0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.260 -8.236 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.755 -7.349 1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.253 -9.296 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.085 -9.723 0.999 1.00 0.00 H new ATOM 257 N LYS A 19 -7.484 -5.243 1.626 1.00 0.00 N ATOM 258 CA LYS A 19 -7.258 -4.009 2.359 1.00 0.00 C ATOM 259 C LYS A 19 -7.138 -2.848 1.370 1.00 0.00 C ATOM 260 O LYS A 19 -7.766 -1.806 1.551 1.00 0.00 O ATOM 261 CB LYS A 19 -6.051 -4.152 3.289 1.00 0.00 C ATOM 262 CG LYS A 19 -6.349 -5.128 4.428 1.00 0.00 C ATOM 263 CD LYS A 19 -5.061 -5.758 4.962 1.00 0.00 C ATOM 264 CE LYS A 19 -5.202 -6.124 6.441 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.557 -7.428 6.715 1.00 0.00 N ATOM 0 H LYS A 19 -6.801 -5.978 1.808 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.107 -3.790 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.189 -4.503 2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.787 -3.178 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.864 -4.605 5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.021 -5.910 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.822 -6.651 4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.231 -5.063 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.747 -5.350 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.257 -6.169 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.661 -7.662 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.009 -8.167 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.546 -7.373 6.475 1.00 0.00 H new ATOM 279 N ILE A 20 -6.328 -3.067 0.344 1.00 0.00 N ATOM 280 CA ILE A 20 -6.118 -2.052 -0.674 1.00 0.00 C ATOM 281 C ILE A 20 -7.459 -1.704 -1.324 1.00 0.00 C ATOM 282 O ILE A 20 -7.929 -0.572 -1.217 1.00 0.00 O ATOM 283 CB ILE A 20 -5.051 -2.507 -1.671 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.690 -2.656 -0.988 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.988 -1.564 -2.875 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.994 -3.946 -1.427 1.00 0.00 C ATOM 0 H ILE A 20 -5.809 -3.933 0.196 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.733 -1.136 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.332 -3.491 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.062 -1.799 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.821 -2.659 0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.222 -1.910 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.955 -1.552 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.743 -0.557 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.029 -4.027 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.614 -4.802 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.843 -3.929 -2.506 1.00 0.00 H new ATOM 298 N GLU A 21 -8.036 -2.697 -1.984 1.00 0.00 N ATOM 299 CA GLU A 21 -9.313 -2.509 -2.652 1.00 0.00 C ATOM 300 C GLU A 21 -10.234 -1.635 -1.799 1.00 0.00 C ATOM 301 O GLU A 21 -10.738 -0.615 -2.268 1.00 0.00 O ATOM 302 CB GLU A 21 -9.970 -3.854 -2.966 1.00 0.00 C ATOM 303 CG GLU A 21 -9.283 -4.537 -4.151 1.00 0.00 C ATOM 304 CD GLU A 21 -10.307 -4.983 -5.196 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.830 -6.107 -5.034 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.544 -4.191 -6.133 1.00 0.00 O ATOM 0 H GLU A 21 -7.643 -3.634 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.135 -1.999 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.920 -4.501 -2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.026 -3.703 -3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.569 -3.851 -4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.717 -5.400 -3.800 1.00 0.00 H new ATOM 313 N ASP A 22 -10.427 -2.065 -0.561 1.00 0.00 N ATOM 314 CA ASP A 22 -11.278 -1.334 0.362 1.00 0.00 C ATOM 315 C ASP A 22 -10.795 0.114 0.457 1.00 0.00 C ATOM 316 O ASP A 22 -11.576 1.046 0.271 1.00 0.00 O ATOM 317 CB ASP A 22 -11.223 -1.944 1.764 1.00 0.00 C ATOM 318 CG ASP A 22 -12.534 -1.881 2.549 1.00 0.00 C ATOM 319 OD1 ASP A 22 -12.929 -0.750 2.906 1.00 0.00 O ATOM 320 OD2 ASP A 22 -13.113 -2.966 2.775 1.00 0.00 O ATOM 0 H ASP A 22 -10.008 -2.911 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.301 -1.383 -0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.918 -2.987 1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.449 -1.432 2.336 1.00 0.00 H new ATOM 325 N PHE A 23 -9.510 0.258 0.746 1.00 0.00 N ATOM 326 CA PHE A 23 -8.914 1.577 0.868 1.00 0.00 C ATOM 327 C PHE A 23 -9.155 2.407 -0.395 1.00 0.00 C ATOM 328 O PHE A 23 -9.380 3.614 -0.316 1.00 0.00 O ATOM 329 CB PHE A 23 -7.408 1.373 1.049 1.00 0.00 C ATOM 330 CG PHE A 23 -6.555 2.527 0.519 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.800 3.799 0.932 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.552 2.280 -0.365 1.00 0.00 C ATOM 333 CE1 PHE A 23 -6.008 4.870 0.440 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.760 3.351 -0.857 1.00 0.00 C ATOM 335 CZ PHE A 23 -5.004 4.624 -0.444 1.00 0.00 C ATOM 0 H PHE A 23 -8.865 -0.517 0.899 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.357 2.108 1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.195 1.235 2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.113 0.454 0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.597 3.995 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.358 1.270 -0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.203 5.880 0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.963 3.155 -1.559 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.401 5.438 -0.818 1.00 0.00 H new ATOM 345 N LEU A 24 -9.099 1.727 -1.531 1.00 0.00 N ATOM 346 CA LEU A 24 -9.309 2.386 -2.809 1.00 0.00 C ATOM 347 C LEU A 24 -10.781 2.781 -2.938 1.00 0.00 C ATOM 348 O LEU A 24 -11.101 3.815 -3.522 1.00 0.00 O ATOM 349 CB LEU A 24 -8.805 1.506 -3.954 1.00 0.00 C ATOM 350 CG LEU A 24 -7.346 1.057 -3.863 1.00 0.00 C ATOM 351 CD1 LEU A 24 -7.065 -0.094 -4.831 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.395 2.235 -4.083 1.00 0.00 C ATOM 0 H LEU A 24 -8.911 0.726 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.726 3.305 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.435 0.618 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.939 2.049 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.167 0.682 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.021 -0.394 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.707 -0.940 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.267 0.231 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.364 1.888 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.568 2.663 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.575 2.995 -3.322 1.00 0.00 H new ATOM 364 N GLN A 25 -11.639 1.936 -2.384 1.00 0.00 N ATOM 365 CA GLN A 25 -13.070 2.185 -2.431 1.00 0.00 C ATOM 366 C GLN A 25 -13.412 3.462 -1.662 1.00 0.00 C ATOM 367 O GLN A 25 -14.148 4.313 -2.161 1.00 0.00 O ATOM 368 CB GLN A 25 -13.852 0.989 -1.883 1.00 0.00 C ATOM 369 CG GLN A 25 -13.911 -0.144 -2.909 1.00 0.00 C ATOM 370 CD GLN A 25 -15.191 -0.060 -3.744 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.719 1.007 -4.012 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.657 -1.241 -4.139 1.00 0.00 N ATOM 0 H GLN A 25 -11.371 1.079 -1.901 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.362 2.322 -3.472 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.381 0.631 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.863 1.300 -1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.041 -0.092 -3.564 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.868 -1.106 -2.397 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.165 -2.096 -3.879 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.506 -1.292 -4.702 1.00 0.00 H new ATOM 381 N SER A 26 -12.862 3.557 -0.460 1.00 0.00 N ATOM 382 CA SER A 26 -13.100 4.717 0.382 1.00 0.00 C ATOM 383 C SER A 26 -12.675 5.991 -0.349 1.00 0.00 C ATOM 384 O SER A 26 -11.708 5.981 -1.110 1.00 0.00 O ATOM 385 CB SER A 26 -12.354 4.594 1.712 1.00 0.00 C ATOM 386 OG SER A 26 -13.059 5.220 2.780 1.00 0.00 O ATOM 0 H SER A 26 -12.252 2.850 -0.049 1.00 0.00 H new ATOM 0 HA SER A 26 -14.167 4.769 0.598 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.202 3.540 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.366 5.045 1.616 1.00 0.00 H new ATOM 0 HG SER A 26 -12.849 4.764 3.622 1.00 0.00 H new ATOM 392 N GLU A 27 -13.417 7.059 -0.093 1.00 0.00 N ATOM 393 CA GLU A 27 -13.128 8.338 -0.718 1.00 0.00 C ATOM 394 C GLU A 27 -12.205 9.169 0.176 1.00 0.00 C ATOM 395 O GLU A 27 -11.148 9.618 -0.265 1.00 0.00 O ATOM 396 CB GLU A 27 -14.418 9.099 -1.030 1.00 0.00 C ATOM 397 CG GLU A 27 -14.796 8.955 -2.506 1.00 0.00 C ATOM 398 CD GLU A 27 -15.319 10.278 -3.070 1.00 0.00 C ATOM 399 OE1 GLU A 27 -14.678 11.311 -2.779 1.00 0.00 O ATOM 400 OE2 GLU A 27 -16.347 10.226 -3.779 1.00 0.00 O ATOM 0 H GLU A 27 -14.218 7.064 0.539 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.617 8.152 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.227 8.722 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.291 10.153 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.927 8.630 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.557 8.182 -2.616 1.00 0.00 H new ATOM 407 N GLU A 28 -12.638 9.349 1.415 1.00 0.00 N ATOM 408 CA GLU A 28 -11.863 10.117 2.374 1.00 0.00 C ATOM 409 C GLU A 28 -10.423 9.604 2.427 1.00 0.00 C ATOM 410 O GLU A 28 -9.478 10.383 2.312 1.00 0.00 O ATOM 411 CB GLU A 28 -12.510 10.077 3.760 1.00 0.00 C ATOM 412 CG GLU A 28 -12.751 11.490 4.294 1.00 0.00 C ATOM 413 CD GLU A 28 -12.436 11.572 5.789 1.00 0.00 C ATOM 414 OE1 GLU A 28 -13.283 11.094 6.575 1.00 0.00 O ATOM 415 OE2 GLU A 28 -11.356 12.112 6.113 1.00 0.00 O ATOM 0 H GLU A 28 -13.516 8.976 1.777 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.846 11.157 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.456 9.538 3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.868 9.529 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.129 12.200 3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.788 11.776 4.121 1.00 0.00 H new ATOM 422 N LYS A 29 -10.300 8.296 2.600 1.00 0.00 N ATOM 423 CA LYS A 29 -8.991 7.669 2.669 1.00 0.00 C ATOM 424 C LYS A 29 -8.068 8.311 1.632 1.00 0.00 C ATOM 425 O LYS A 29 -8.428 8.426 0.461 1.00 0.00 O ATOM 426 CB LYS A 29 -9.116 6.151 2.525 1.00 0.00 C ATOM 427 CG LYS A 29 -9.984 5.564 3.640 1.00 0.00 C ATOM 428 CD LYS A 29 -9.794 4.049 3.743 1.00 0.00 C ATOM 429 CE LYS A 29 -10.054 3.560 5.169 1.00 0.00 C ATOM 430 NZ LYS A 29 -8.963 2.666 5.617 1.00 0.00 N ATOM 0 H LYS A 29 -11.086 7.653 2.694 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.539 7.837 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.551 5.909 1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.126 5.697 2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.727 6.032 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.033 5.790 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.472 3.546 3.053 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.780 3.785 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.134 4.413 5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.006 3.031 5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.155 2.343 6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.906 1.844 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.060 3.182 5.596 1.00 0.00 H new ATOM 444 N ARG A 30 -6.895 8.714 2.099 1.00 0.00 N ATOM 445 CA ARG A 30 -5.918 9.342 1.226 1.00 0.00 C ATOM 446 C ARG A 30 -4.650 8.488 1.148 1.00 0.00 C ATOM 447 O ARG A 30 -4.015 8.409 0.098 1.00 0.00 O ATOM 448 CB ARG A 30 -5.552 10.741 1.726 1.00 0.00 C ATOM 449 CG ARG A 30 -6.649 11.750 1.382 1.00 0.00 C ATOM 450 CD ARG A 30 -6.375 12.421 0.035 1.00 0.00 C ATOM 451 NE ARG A 30 -6.870 13.816 0.054 1.00 0.00 N ATOM 452 CZ ARG A 30 -6.415 14.785 -0.752 1.00 0.00 C ATOM 453 NH1 ARG A 30 -5.453 14.517 -1.645 1.00 0.00 N ATOM 454 NH2 ARG A 30 -6.923 16.022 -0.665 1.00 0.00 N ATOM 0 H ARG A 30 -6.599 8.618 3.070 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.364 9.428 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.400 10.717 2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.610 11.056 1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.615 11.246 1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.710 12.507 2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.306 12.409 -0.176 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.864 11.864 -0.764 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.603 14.054 0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.067 13.575 -1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.107 15.255 -2.258 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.656 16.226 0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.577 16.760 -1.278 1.00 0.00 H new ATOM 468 N SER A 31 -4.321 7.870 2.273 1.00 0.00 N ATOM 469 CA SER A 31 -3.141 7.026 2.345 1.00 0.00 C ATOM 470 C SER A 31 -3.391 5.858 3.302 1.00 0.00 C ATOM 471 O SER A 31 -3.749 6.066 4.460 1.00 0.00 O ATOM 472 CB SER A 31 -1.917 7.826 2.794 1.00 0.00 C ATOM 473 OG SER A 31 -2.183 9.226 2.842 1.00 0.00 O ATOM 0 H SER A 31 -4.851 7.937 3.142 1.00 0.00 H new ATOM 0 HA SER A 31 -2.940 6.635 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.601 7.483 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.090 7.637 2.110 1.00 0.00 H new ATOM 0 HG SER A 31 -1.378 9.702 3.135 1.00 0.00 H new ATOM 479 N LEU A 32 -3.192 4.656 2.783 1.00 0.00 N ATOM 480 CA LEU A 32 -3.392 3.455 3.576 1.00 0.00 C ATOM 481 C LEU A 32 -2.070 3.063 4.240 1.00 0.00 C ATOM 482 O LEU A 32 -0.997 3.355 3.716 1.00 0.00 O ATOM 483 CB LEU A 32 -4.005 2.344 2.722 1.00 0.00 C ATOM 484 CG LEU A 32 -4.389 1.062 3.464 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.663 1.266 4.286 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.514 -0.116 2.495 1.00 0.00 C ATOM 0 H LEU A 32 -2.894 4.488 1.822 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.109 3.641 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.896 2.738 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.297 2.086 1.934 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.589 0.819 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.914 0.340 4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.501 2.058 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.482 1.545 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.788 -1.015 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.283 0.102 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.560 -0.276 1.992 1.00 0.00 H new ATOM 498 N GLU A 33 -2.192 2.406 5.384 1.00 0.00 N ATOM 499 CA GLU A 33 -1.021 1.970 6.125 1.00 0.00 C ATOM 500 C GLU A 33 -1.101 0.469 6.411 1.00 0.00 C ATOM 501 O GLU A 33 -2.025 0.010 7.081 1.00 0.00 O ATOM 502 CB GLU A 33 -0.864 2.767 7.422 1.00 0.00 C ATOM 503 CG GLU A 33 -1.060 4.264 7.172 1.00 0.00 C ATOM 504 CD GLU A 33 -1.154 5.032 8.492 1.00 0.00 C ATOM 505 OE1 GLU A 33 -0.846 4.412 9.533 1.00 0.00 O ATOM 506 OE2 GLU A 33 -1.531 6.223 8.430 1.00 0.00 O ATOM 0 H GLU A 33 -3.084 2.165 5.816 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.139 2.157 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.590 2.419 8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.126 2.591 7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.229 4.650 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.967 4.423 6.589 1.00 0.00 H new ATOM 513 N LEU A 34 -0.122 -0.254 5.888 1.00 0.00 N ATOM 514 CA LEU A 34 -0.070 -1.693 6.079 1.00 0.00 C ATOM 515 C LEU A 34 0.810 -2.012 7.288 1.00 0.00 C ATOM 516 O LEU A 34 1.438 -1.120 7.856 1.00 0.00 O ATOM 517 CB LEU A 34 0.378 -2.388 4.791 1.00 0.00 C ATOM 518 CG LEU A 34 -0.698 -2.573 3.719 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.081 -3.038 2.398 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.798 -3.519 4.203 1.00 0.00 C ATOM 0 H LEU A 34 0.642 0.130 5.332 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.064 -2.085 6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.198 -1.815 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.776 -3.369 5.051 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.165 -1.606 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.867 -3.162 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.635 -2.294 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.429 -3.990 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.550 -3.633 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.365 -4.492 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.264 -3.107 5.098 1.00 0.00 H new ATOM 532 N ASP A 35 0.829 -3.288 7.647 1.00 0.00 N ATOM 533 CA ASP A 35 1.622 -3.735 8.779 1.00 0.00 C ATOM 534 C ASP A 35 3.067 -3.958 8.328 1.00 0.00 C ATOM 535 O ASP A 35 3.318 -4.246 7.159 1.00 0.00 O ATOM 536 CB ASP A 35 1.091 -5.058 9.335 1.00 0.00 C ATOM 537 CG ASP A 35 0.737 -5.039 10.823 1.00 0.00 C ATOM 538 OD1 ASP A 35 -0.041 -4.139 11.209 1.00 0.00 O ATOM 539 OD2 ASP A 35 1.251 -5.923 11.541 1.00 0.00 O ATOM 0 H ASP A 35 0.308 -4.026 7.173 1.00 0.00 H new ATOM 0 HA ASP A 35 1.566 -2.970 9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.204 -5.342 8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.839 -5.832 9.165 1.00 0.00 H new ATOM 544 N PRO A 36 4.003 -3.812 9.304 1.00 0.00 N ATOM 545 CA PRO A 36 5.416 -3.994 9.018 1.00 0.00 C ATOM 546 C PRO A 36 5.757 -5.478 8.864 1.00 0.00 C ATOM 547 O PRO A 36 5.618 -6.252 9.809 1.00 0.00 O ATOM 548 CB PRO A 36 6.140 -3.336 10.182 1.00 0.00 C ATOM 549 CG PRO A 36 5.116 -3.221 11.299 1.00 0.00 C ATOM 550 CD PRO A 36 3.742 -3.472 10.699 1.00 0.00 C ATOM 0 HA PRO A 36 5.716 -3.542 8.072 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.996 -3.933 10.497 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.522 -2.355 9.900 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.327 -3.945 12.086 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.158 -2.232 11.756 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.227 -4.283 11.214 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.108 -2.589 10.779 1.00 0.00 H new ATOM 558 N CYS A 37 6.198 -5.829 7.665 1.00 0.00 N ATOM 559 CA CYS A 37 6.560 -7.206 7.374 1.00 0.00 C ATOM 560 C CYS A 37 7.989 -7.441 7.868 1.00 0.00 C ATOM 561 O CYS A 37 8.649 -6.514 8.335 1.00 0.00 O ATOM 562 CB CYS A 37 6.411 -7.528 5.886 1.00 0.00 C ATOM 563 SG CYS A 37 4.639 -7.581 5.432 1.00 0.00 S ATOM 0 H CYS A 37 6.313 -5.184 6.884 1.00 0.00 H new ATOM 0 HA CYS A 37 5.880 -7.881 7.894 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.925 -6.775 5.289 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.881 -8.486 5.664 1.00 0.00 H new ATOM 0 HG CYS A 37 4.302 -6.460 4.867 1.00 0.00 H new ATOM 569 N THR A 38 8.426 -8.686 7.747 1.00 0.00 N ATOM 570 CA THR A 38 9.764 -9.055 8.176 1.00 0.00 C ATOM 571 C THR A 38 10.787 -8.697 7.096 1.00 0.00 C ATOM 572 O THR A 38 11.886 -8.237 7.405 1.00 0.00 O ATOM 573 CB THR A 38 9.753 -10.542 8.533 1.00 0.00 C ATOM 574 OG1 THR A 38 9.763 -11.203 7.270 1.00 0.00 O ATOM 575 CG2 THR A 38 8.435 -10.981 9.174 1.00 0.00 C ATOM 0 H THR A 38 7.877 -9.452 7.358 1.00 0.00 H new ATOM 0 HA THR A 38 10.064 -8.496 9.062 1.00 0.00 H new ATOM 0 HB THR A 38 10.577 -10.758 9.214 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.759 -12.173 7.408 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.481 -12.045 9.408 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.270 -10.415 10.091 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.614 -10.797 8.481 1.00 0.00 H new ATOM 583 N GLY A 39 10.390 -8.921 5.852 1.00 0.00 N ATOM 584 CA GLY A 39 11.259 -8.628 4.725 1.00 0.00 C ATOM 585 C GLY A 39 10.740 -9.289 3.446 1.00 0.00 C ATOM 586 O GLY A 39 10.412 -8.604 2.478 1.00 0.00 O ATOM 0 H GLY A 39 9.478 -9.302 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.323 -7.549 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.268 -8.981 4.938 1.00 0.00 H new ATOM 590 N PHE A 40 10.681 -10.612 3.484 1.00 0.00 N ATOM 591 CA PHE A 40 10.207 -11.372 2.340 1.00 0.00 C ATOM 592 C PHE A 40 8.865 -10.833 1.840 1.00 0.00 C ATOM 593 O PHE A 40 8.769 -10.342 0.717 1.00 0.00 O ATOM 594 CB PHE A 40 10.020 -12.816 2.810 1.00 0.00 C ATOM 595 CG PHE A 40 10.135 -13.854 1.692 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.293 -13.971 0.988 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.078 -14.660 1.401 1.00 0.00 C ATOM 598 CE1 PHE A 40 11.399 -14.935 -0.050 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.185 -15.624 0.363 1.00 0.00 C ATOM 600 CZ PHE A 40 10.343 -15.741 -0.340 1.00 0.00 C ATOM 0 H PHE A 40 10.953 -11.177 4.289 1.00 0.00 H new ATOM 0 HA PHE A 40 10.924 -11.299 1.522 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.764 -13.037 3.575 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.041 -12.910 3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.132 -13.331 1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.158 -14.567 1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.318 -15.028 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.346 -16.264 0.132 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.424 -16.474 -1.129 1.00 0.00 H new ATOM 610 N GLN A 41 7.863 -10.943 2.700 1.00 0.00 N ATOM 611 CA GLN A 41 6.531 -10.473 2.360 1.00 0.00 C ATOM 612 C GLN A 41 6.599 -9.055 1.789 1.00 0.00 C ATOM 613 O GLN A 41 5.942 -8.750 0.794 1.00 0.00 O ATOM 614 CB GLN A 41 5.602 -10.531 3.574 1.00 0.00 C ATOM 615 CG GLN A 41 4.965 -11.915 3.712 1.00 0.00 C ATOM 616 CD GLN A 41 5.674 -12.741 4.788 1.00 0.00 C ATOM 617 OE1 GLN A 41 6.657 -13.419 4.539 1.00 0.00 O ATOM 618 NE2 GLN A 41 5.121 -12.645 5.994 1.00 0.00 N ATOM 0 H GLN A 41 7.947 -11.351 3.631 1.00 0.00 H new ATOM 0 HA GLN A 41 6.118 -11.132 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.163 -10.294 4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.822 -9.776 3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.910 -11.810 3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.013 -12.438 2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.298 -12.059 6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.520 -13.158 6.780 1.00 0.00 H new ATOM 627 N ARG A 42 7.399 -8.225 2.442 1.00 0.00 N ATOM 628 CA ARG A 42 7.561 -6.847 2.012 1.00 0.00 C ATOM 629 C ARG A 42 7.817 -6.788 0.505 1.00 0.00 C ATOM 630 O ARG A 42 7.210 -5.985 -0.201 1.00 0.00 O ATOM 631 CB ARG A 42 8.721 -6.173 2.747 1.00 0.00 C ATOM 632 CG ARG A 42 8.657 -4.652 2.595 1.00 0.00 C ATOM 633 CD ARG A 42 8.433 -3.975 3.949 1.00 0.00 C ATOM 634 NE ARG A 42 9.671 -4.039 4.757 1.00 0.00 N ATOM 635 CZ ARG A 42 9.718 -3.820 6.078 1.00 0.00 C ATOM 636 NH1 ARG A 42 8.597 -3.521 6.748 1.00 0.00 N ATOM 637 NH2 ARG A 42 10.887 -3.899 6.729 1.00 0.00 N ATOM 0 H ARG A 42 7.942 -8.481 3.266 1.00 0.00 H new ATOM 0 HA ARG A 42 6.639 -6.315 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.690 -6.438 3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.668 -6.542 2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.584 -4.288 2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.850 -4.385 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.139 -2.936 3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.617 -4.465 4.480 1.00 0.00 H new ATOM 0 HE ARG A 42 10.543 -4.264 4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.708 -3.460 6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.633 -3.354 7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.741 -4.126 6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.923 -3.732 7.735 1.00 0.00 H new ATOM 651 N LYS A 43 8.718 -7.650 0.056 1.00 0.00 N ATOM 652 CA LYS A 43 9.063 -7.706 -1.354 1.00 0.00 C ATOM 653 C LYS A 43 7.875 -8.259 -2.144 1.00 0.00 C ATOM 654 O LYS A 43 7.706 -7.944 -3.321 1.00 0.00 O ATOM 655 CB LYS A 43 10.357 -8.496 -1.559 1.00 0.00 C ATOM 656 CG LYS A 43 10.065 -9.980 -1.782 1.00 0.00 C ATOM 657 CD LYS A 43 11.064 -10.857 -1.025 1.00 0.00 C ATOM 658 CE LYS A 43 12.222 -11.278 -1.931 1.00 0.00 C ATOM 659 NZ LYS A 43 13.259 -11.990 -1.151 1.00 0.00 N ATOM 0 H LYS A 43 9.219 -8.315 0.644 1.00 0.00 H new ATOM 0 HA LYS A 43 9.263 -6.705 -1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.899 -8.096 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.002 -8.376 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.052 -10.208 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.111 -10.207 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.451 -10.313 -0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.558 -11.743 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.852 -11.923 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.657 -10.399 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.862 -12.540 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.842 -11.299 -0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.803 -12.632 -0.472 1.00 0.00 H new ATOM 673 N LEU A 44 7.081 -9.073 -1.464 1.00 0.00 N ATOM 674 CA LEU A 44 5.913 -9.673 -2.087 1.00 0.00 C ATOM 675 C LEU A 44 4.869 -8.587 -2.353 1.00 0.00 C ATOM 676 O LEU A 44 4.305 -8.518 -3.444 1.00 0.00 O ATOM 677 CB LEU A 44 5.390 -10.834 -1.239 1.00 0.00 C ATOM 678 CG LEU A 44 6.405 -11.929 -0.902 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.804 -12.956 0.059 1.00 0.00 C ATOM 680 CD2 LEU A 44 6.949 -12.583 -2.174 1.00 0.00 C ATOM 0 H LEU A 44 7.223 -9.331 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 44 6.176 -10.107 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.999 -10.429 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.552 -11.292 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 44 7.250 -11.467 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.546 -13.723 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.506 -12.459 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.931 -13.419 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.668 -13.357 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.127 -13.029 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.440 -11.829 -2.789 1.00 0.00 H new ATOM 692 N ILE A 45 4.643 -7.766 -1.338 1.00 0.00 N ATOM 693 CA ILE A 45 3.676 -6.687 -1.449 1.00 0.00 C ATOM 694 C ILE A 45 4.065 -5.778 -2.616 1.00 0.00 C ATOM 695 O ILE A 45 3.207 -5.353 -3.389 1.00 0.00 O ATOM 696 CB ILE A 45 3.540 -5.951 -0.115 1.00 0.00 C ATOM 697 CG1 ILE A 45 3.044 -6.893 0.984 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.646 -4.717 -0.258 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.191 -6.251 2.365 1.00 0.00 C ATOM 0 H ILE A 45 5.113 -7.826 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 45 2.685 -7.084 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 45 4.528 -5.601 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.999 -7.146 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.608 -7.825 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.566 -4.212 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.080 -4.036 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.654 -5.023 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.831 -6.942 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.240 -6.021 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.606 -5.332 2.403 1.00 0.00 H new ATOM 711 N TYR A 46 5.358 -5.506 -2.708 1.00 0.00 N ATOM 712 CA TYR A 46 5.871 -4.655 -3.768 1.00 0.00 C ATOM 713 C TYR A 46 5.743 -5.339 -5.131 1.00 0.00 C ATOM 714 O TYR A 46 5.112 -4.804 -6.041 1.00 0.00 O ATOM 715 CB TYR A 46 7.353 -4.440 -3.456 1.00 0.00 C ATOM 716 CG TYR A 46 7.610 -3.616 -2.193 1.00 0.00 C ATOM 717 CD1 TYR A 46 6.745 -2.598 -1.845 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.707 -3.890 -1.401 1.00 0.00 C ATOM 719 CE1 TYR A 46 6.986 -1.823 -0.656 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.948 -3.114 -0.212 1.00 0.00 C ATOM 721 CZ TYR A 46 8.076 -2.119 0.102 1.00 0.00 C ATOM 722 OH TYR A 46 8.304 -1.387 1.225 1.00 0.00 O ATOM 0 H TYR A 46 6.066 -5.860 -2.065 1.00 0.00 H new ATOM 0 HA TYR A 46 5.313 -3.720 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.836 -5.411 -3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.824 -3.943 -4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.887 -2.383 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.384 -4.686 -1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.316 -1.025 -0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.802 -3.318 0.416 1.00 0.00 H new ATOM 0 HH TYR A 46 8.111 -0.443 1.045 1.00 0.00 H new ATOM 732 N GLN A 47 6.352 -6.512 -5.228 1.00 0.00 N ATOM 733 CA GLN A 47 6.314 -7.275 -6.464 1.00 0.00 C ATOM 734 C GLN A 47 4.894 -7.291 -7.034 1.00 0.00 C ATOM 735 O GLN A 47 4.684 -6.949 -8.197 1.00 0.00 O ATOM 736 CB GLN A 47 6.834 -8.698 -6.246 1.00 0.00 C ATOM 737 CG GLN A 47 8.238 -8.864 -6.831 1.00 0.00 C ATOM 738 CD GLN A 47 8.215 -9.772 -8.062 1.00 0.00 C ATOM 739 OE1 GLN A 47 8.748 -10.870 -8.065 1.00 0.00 O ATOM 740 NE2 GLN A 47 7.569 -9.256 -9.104 1.00 0.00 N ATOM 0 H GLN A 47 6.874 -6.952 -4.471 1.00 0.00 H new ATOM 0 HA GLN A 47 6.970 -6.791 -7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.851 -8.923 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.155 -9.412 -6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.641 -7.888 -7.102 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.903 -9.285 -6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.145 -8.331 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.497 -9.786 -9.973 1.00 0.00 H new ATOM 749 N THR A 48 3.956 -7.693 -6.189 1.00 0.00 N ATOM 750 CA THR A 48 2.562 -7.759 -6.594 1.00 0.00 C ATOM 751 C THR A 48 2.088 -6.394 -7.097 1.00 0.00 C ATOM 752 O THR A 48 1.851 -6.216 -8.291 1.00 0.00 O ATOM 753 CB THR A 48 1.749 -8.285 -5.410 1.00 0.00 C ATOM 754 OG1 THR A 48 2.017 -9.685 -5.400 1.00 0.00 O ATOM 755 CG2 THR A 48 0.241 -8.196 -5.649 1.00 0.00 C ATOM 0 H THR A 48 4.134 -7.976 -5.225 1.00 0.00 H new ATOM 0 HA THR A 48 2.426 -8.445 -7.430 1.00 0.00 H new ATOM 0 HB THR A 48 2.008 -7.722 -4.513 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.570 -9.907 -4.622 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.289 -8.582 -4.778 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.041 -7.156 -5.813 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.024 -8.786 -6.526 1.00 0.00 H new ATOM 763 N LEU A 49 1.964 -5.464 -6.161 1.00 0.00 N ATOM 764 CA LEU A 49 1.523 -4.121 -6.495 1.00 0.00 C ATOM 765 C LEU A 49 2.279 -3.633 -7.732 1.00 0.00 C ATOM 766 O LEU A 49 1.785 -2.782 -8.470 1.00 0.00 O ATOM 767 CB LEU A 49 1.663 -3.195 -5.284 1.00 0.00 C ATOM 768 CG LEU A 49 0.854 -3.585 -4.045 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.117 -2.614 -2.892 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.636 -3.694 -4.375 1.00 0.00 C ATOM 0 H LEU A 49 2.161 -5.615 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 49 0.463 -4.120 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.716 -3.149 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.368 -2.189 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 49 1.183 -4.571 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.530 -2.913 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.177 -2.630 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.832 -1.606 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.188 -3.972 -3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.999 -2.734 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.784 -4.454 -5.142 1.00 0.00 H new ATOM 782 N SER A 50 3.465 -4.193 -7.921 1.00 0.00 N ATOM 783 CA SER A 50 4.293 -3.825 -9.057 1.00 0.00 C ATOM 784 C SER A 50 3.499 -3.977 -10.356 1.00 0.00 C ATOM 785 O SER A 50 3.601 -3.141 -11.252 1.00 0.00 O ATOM 786 CB SER A 50 5.564 -4.676 -9.109 1.00 0.00 C ATOM 787 OG SER A 50 6.681 -3.937 -9.597 1.00 0.00 O ATOM 0 H SER A 50 3.872 -4.898 -7.307 1.00 0.00 H new ATOM 0 HA SER A 50 4.589 -2.783 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.788 -5.055 -8.112 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.395 -5.542 -9.749 1.00 0.00 H new ATOM 0 HG SER A 50 7.473 -4.514 -9.614 1.00 0.00 H new ATOM 793 N TRP A 51 2.725 -5.051 -10.416 1.00 0.00 N ATOM 794 CA TRP A 51 1.913 -5.323 -11.590 1.00 0.00 C ATOM 795 C TRP A 51 0.445 -5.141 -11.202 1.00 0.00 C ATOM 796 O TRP A 51 -0.373 -4.734 -12.026 1.00 0.00 O ATOM 797 CB TRP A 51 2.215 -6.713 -12.155 1.00 0.00 C ATOM 798 CG TRP A 51 2.276 -7.815 -11.095 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.355 -8.281 -10.451 1.00 0.00 C ATOM 800 CD2 TRP A 51 1.163 -8.576 -10.581 1.00 0.00 C ATOM 801 NE1 TRP A 51 3.020 -9.282 -9.562 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.645 -9.467 -9.643 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.206 -8.513 -10.896 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.826 -10.362 -8.945 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.011 -9.414 -10.190 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.541 -10.318 -9.243 1.00 0.00 C ATOM 0 H TRP A 51 2.643 -5.743 -9.671 1.00 0.00 H new ATOM 0 HA TRP A 51 2.149 -4.625 -12.393 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.451 -6.970 -12.888 1.00 0.00 H new ATOM 0 HB3 TRP A 51 3.167 -6.680 -12.685 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.360 -7.919 -10.608 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.663 -9.792 -8.957 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.605 -7.824 -11.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.227 -11.050 -8.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.071 -9.407 -10.395 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.228 -10.983 -8.740 1.00 0.00 H new ATOM 817 N LYS A 52 0.154 -5.451 -9.947 1.00 0.00 N ATOM 818 CA LYS A 52 -1.202 -5.327 -9.440 1.00 0.00 C ATOM 819 C LYS A 52 -1.650 -3.868 -9.546 1.00 0.00 C ATOM 820 O LYS A 52 -2.821 -3.591 -9.802 1.00 0.00 O ATOM 821 CB LYS A 52 -1.299 -5.899 -8.024 1.00 0.00 C ATOM 822 CG LYS A 52 -1.749 -7.361 -8.053 1.00 0.00 C ATOM 823 CD LYS A 52 -2.743 -7.651 -6.927 1.00 0.00 C ATOM 824 CE LYS A 52 -4.181 -7.647 -7.450 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.879 -8.891 -7.057 1.00 0.00 N ATOM 0 H LYS A 52 0.835 -5.788 -9.266 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.890 -5.917 -10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.330 -5.823 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.003 -5.309 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.209 -7.585 -9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.882 -8.014 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.518 -8.619 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.636 -6.903 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.715 -6.783 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.179 -7.552 -8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.038 -9.481 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.297 -9.414 -6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.794 -8.654 -6.623 1.00 0.00 H new ATOM 839 N TYR A 53 -0.694 -2.973 -9.345 1.00 0.00 N ATOM 840 CA TYR A 53 -0.975 -1.549 -9.414 1.00 0.00 C ATOM 841 C TYR A 53 0.291 -0.755 -9.744 1.00 0.00 C ATOM 842 O TYR A 53 0.936 -0.210 -8.850 1.00 0.00 O ATOM 843 CB TYR A 53 -1.467 -1.148 -8.022 1.00 0.00 C ATOM 844 CG TYR A 53 -2.688 -1.934 -7.543 1.00 0.00 C ATOM 845 CD1 TYR A 53 -3.959 -1.473 -7.821 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.519 -3.106 -6.833 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.109 -2.213 -7.370 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.669 -3.846 -6.382 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.907 -3.363 -6.672 1.00 0.00 C ATOM 850 OH TYR A 53 -5.993 -4.063 -6.246 1.00 0.00 O ATOM 0 H TYR A 53 0.276 -3.206 -9.134 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.709 -1.340 -10.193 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.656 -1.286 -7.307 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.710 -0.086 -8.026 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.091 -0.557 -8.377 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.525 -3.468 -6.616 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.109 -1.863 -7.581 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.551 -4.764 -5.826 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.773 -5.017 -6.208 1.00 0.00 H new ATOM 860 N PRO A 54 0.617 -0.715 -11.063 1.00 0.00 N ATOM 861 CA PRO A 54 1.794 0.002 -11.522 1.00 0.00 C ATOM 862 C PRO A 54 1.559 1.514 -11.498 1.00 0.00 C ATOM 863 O PRO A 54 2.452 2.280 -11.141 1.00 0.00 O ATOM 864 CB PRO A 54 2.064 -0.535 -12.917 1.00 0.00 C ATOM 865 CG PRO A 54 0.769 -1.189 -13.370 1.00 0.00 C ATOM 866 CD PRO A 54 -0.123 -1.350 -12.150 1.00 0.00 C ATOM 0 HA PRO A 54 2.659 -0.153 -10.877 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.354 0.268 -13.595 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.882 -1.255 -12.907 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.276 -0.577 -14.125 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.970 -2.158 -13.827 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.091 -0.873 -12.302 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.316 -2.401 -11.936 1.00 0.00 H new ATOM 874 N LYS A 55 0.351 1.898 -11.884 1.00 0.00 N ATOM 875 CA LYS A 55 -0.014 3.304 -11.912 1.00 0.00 C ATOM 876 C LYS A 55 -1.412 3.476 -11.315 1.00 0.00 C ATOM 877 O LYS A 55 -2.392 2.983 -11.870 1.00 0.00 O ATOM 878 CB LYS A 55 0.123 3.865 -13.329 1.00 0.00 C ATOM 879 CG LYS A 55 -0.765 3.098 -14.311 1.00 0.00 C ATOM 880 CD LYS A 55 0.071 2.449 -15.415 1.00 0.00 C ATOM 881 CE LYS A 55 -0.074 3.211 -16.734 1.00 0.00 C ATOM 882 NZ LYS A 55 -1.422 3.001 -17.307 1.00 0.00 N ATOM 0 H LYS A 55 -0.387 1.260 -12.180 1.00 0.00 H new ATOM 0 HA LYS A 55 0.670 3.887 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.150 4.920 -13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.163 3.803 -13.649 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.326 2.331 -13.777 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.494 3.777 -14.754 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.119 2.427 -15.117 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.243 1.414 -15.553 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.095 4.275 -16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.685 2.875 -17.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.410 3.238 -18.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.699 2.006 -17.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.107 3.611 -16.817 1.00 0.00 H new ATOM 896 N GLY A 56 -1.459 4.178 -10.192 1.00 0.00 N ATOM 897 CA GLY A 56 -2.720 4.422 -9.514 1.00 0.00 C ATOM 898 C GLY A 56 -2.499 4.691 -8.024 1.00 0.00 C ATOM 899 O GLY A 56 -3.183 5.524 -7.432 1.00 0.00 O ATOM 0 H GLY A 56 -0.643 4.586 -9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.223 5.274 -9.970 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.376 3.561 -9.638 1.00 0.00 H new ATOM 903 N ILE A 57 -1.541 3.969 -7.461 1.00 0.00 N ATOM 904 CA ILE A 57 -1.221 4.119 -6.052 1.00 0.00 C ATOM 905 C ILE A 57 0.284 4.346 -5.897 1.00 0.00 C ATOM 906 O ILE A 57 1.056 4.065 -6.813 1.00 0.00 O ATOM 907 CB ILE A 57 -1.749 2.927 -5.253 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.414 1.607 -5.951 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.248 3.068 -4.983 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.087 1.496 -6.223 1.00 0.00 C ATOM 0 H ILE A 57 -0.976 3.278 -7.955 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.720 4.996 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.247 2.916 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.738 0.771 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.963 1.538 -6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.598 2.207 -4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.431 3.979 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.785 3.119 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.298 0.549 -6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.403 2.320 -6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.632 1.540 -5.280 1.00 0.00 H new ATOM 922 N HIS A 58 0.657 4.851 -4.730 1.00 0.00 N ATOM 923 CA HIS A 58 2.056 5.119 -4.443 1.00 0.00 C ATOM 924 C HIS A 58 2.460 4.407 -3.150 1.00 0.00 C ATOM 925 O HIS A 58 1.998 4.767 -2.069 1.00 0.00 O ATOM 926 CB HIS A 58 2.324 6.625 -4.399 1.00 0.00 C ATOM 927 CG HIS A 58 3.497 7.015 -3.532 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.690 7.484 -4.053 1.00 0.00 N ATOM 929 CD2 HIS A 58 3.647 7.001 -2.177 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.515 7.738 -3.047 1.00 0.00 C ATOM 931 NE2 HIS A 58 4.866 7.437 -1.885 1.00 0.00 N ATOM 0 H HIS A 58 0.014 5.082 -3.972 1.00 0.00 H new ATOM 0 HA HIS A 58 2.678 4.722 -5.246 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.501 6.982 -5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.431 7.132 -4.034 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.900 6.688 -1.462 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.523 8.116 -3.132 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.254 7.532 -0.946 1.00 0.00 H new ATOM 939 N VAL A 59 3.318 3.409 -3.305 1.00 0.00 N ATOM 940 CA VAL A 59 3.790 2.644 -2.164 1.00 0.00 C ATOM 941 C VAL A 59 5.061 3.291 -1.611 1.00 0.00 C ATOM 942 O VAL A 59 5.991 3.580 -2.362 1.00 0.00 O ATOM 943 CB VAL A 59 3.988 1.180 -2.562 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.375 0.330 -1.350 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.738 0.623 -3.246 1.00 0.00 C ATOM 0 H VAL A 59 3.698 3.113 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 59 3.048 2.652 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 59 4.809 1.136 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.510 -0.706 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.306 0.705 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.586 0.384 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.906 -0.419 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.891 0.688 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.526 1.203 -4.144 1.00 0.00 H new ATOM 955 N GLU A 60 5.059 3.499 -0.303 1.00 0.00 N ATOM 956 CA GLU A 60 6.201 4.107 0.360 1.00 0.00 C ATOM 957 C GLU A 60 6.446 3.440 1.715 1.00 0.00 C ATOM 958 O GLU A 60 5.503 3.010 2.378 1.00 0.00 O ATOM 959 CB GLU A 60 6.004 5.616 0.519 1.00 0.00 C ATOM 960 CG GLU A 60 4.633 5.928 1.122 1.00 0.00 C ATOM 961 CD GLU A 60 4.162 7.327 0.717 1.00 0.00 C ATOM 962 OE1 GLU A 60 5.046 8.186 0.513 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.928 7.505 0.621 1.00 0.00 O ATOM 0 H GLU A 60 4.285 3.258 0.316 1.00 0.00 H new ATOM 0 HA GLU A 60 7.082 3.953 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.788 6.024 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.098 6.103 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.908 5.186 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.685 5.858 2.209 1.00 0.00 H new ATOM 970 N THR A 61 7.716 3.375 2.086 1.00 0.00 N ATOM 971 CA THR A 61 8.096 2.767 3.350 1.00 0.00 C ATOM 972 C THR A 61 8.493 3.845 4.361 1.00 0.00 C ATOM 973 O THR A 61 9.535 4.483 4.217 1.00 0.00 O ATOM 974 CB THR A 61 9.210 1.755 3.072 1.00 0.00 C ATOM 975 OG1 THR A 61 8.561 0.716 2.345 1.00 0.00 O ATOM 976 CG2 THR A 61 9.705 1.066 4.345 1.00 0.00 C ATOM 0 H THR A 61 8.495 3.733 1.534 1.00 0.00 H new ATOM 0 HA THR A 61 7.259 2.234 3.801 1.00 0.00 H new ATOM 0 HB THR A 61 10.044 2.258 2.583 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.140 -0.074 2.316 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.495 0.358 4.092 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.095 1.814 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.878 0.534 4.816 1.00 0.00 H new ATOM 984 N LEU A 62 7.641 4.014 5.362 1.00 0.00 N ATOM 985 CA LEU A 62 7.889 5.003 6.397 1.00 0.00 C ATOM 986 C LEU A 62 8.290 4.292 7.690 1.00 0.00 C ATOM 987 O LEU A 62 7.780 3.214 7.994 1.00 0.00 O ATOM 988 CB LEU A 62 6.682 5.930 6.553 1.00 0.00 C ATOM 989 CG LEU A 62 6.032 6.410 5.253 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.588 6.855 5.494 1.00 0.00 C ATOM 991 CD2 LEU A 62 6.869 7.508 4.595 1.00 0.00 C ATOM 0 H LEU A 62 6.778 3.482 5.478 1.00 0.00 H new ATOM 0 HA LEU A 62 8.722 5.648 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.926 5.413 7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.992 6.804 7.125 1.00 0.00 H new ATOM 0 HG LEU A 62 5.998 5.571 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.149 7.191 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.010 6.018 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.575 7.673 6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.385 7.831 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.957 8.355 5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.862 7.121 4.367 1.00 0.00 H new ATOM 1003 N GLU A 63 9.199 4.923 8.418 1.00 0.00 N ATOM 1004 CA GLU A 63 9.674 4.364 9.673 1.00 0.00 C ATOM 1005 C GLU A 63 9.466 5.364 10.812 1.00 0.00 C ATOM 1006 O GLU A 63 9.865 6.522 10.707 1.00 0.00 O ATOM 1007 CB GLU A 63 11.143 3.951 9.567 1.00 0.00 C ATOM 1008 CG GLU A 63 11.643 3.364 10.889 1.00 0.00 C ATOM 1009 CD GLU A 63 12.937 2.573 10.682 1.00 0.00 C ATOM 1010 OE1 GLU A 63 12.824 1.397 10.273 1.00 0.00 O ATOM 1011 OE2 GLU A 63 14.009 3.161 10.939 1.00 0.00 O ATOM 0 H GLU A 63 9.620 5.817 8.163 1.00 0.00 H new ATOM 0 HA GLU A 63 9.094 3.468 9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.262 3.216 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.749 4.815 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.814 4.167 11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.879 2.714 11.315 1.00 0.00 H new ATOM 1018 N THR A 64 8.841 4.879 11.875 1.00 0.00 N ATOM 1019 CA THR A 64 8.575 5.716 13.033 1.00 0.00 C ATOM 1020 C THR A 64 9.255 5.138 14.276 1.00 0.00 C ATOM 1021 O THR A 64 10.365 4.614 14.194 1.00 0.00 O ATOM 1022 CB THR A 64 7.058 5.853 13.179 1.00 0.00 C ATOM 1023 OG1 THR A 64 6.641 4.586 13.681 1.00 0.00 O ATOM 1024 CG2 THR A 64 6.348 5.971 11.828 1.00 0.00 C ATOM 0 H THR A 64 8.511 3.917 11.959 1.00 0.00 H new ATOM 0 HA THR A 64 8.995 6.714 12.905 1.00 0.00 H new ATOM 0 HB THR A 64 6.830 6.729 13.787 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.081 4.717 14.475 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.274 6.066 11.988 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.715 6.851 11.300 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.549 5.080 11.233 1.00 0.00 H new ATOM 1032 N ASP A 65 8.560 5.252 15.398 1.00 0.00 N ATOM 1033 CA ASP A 65 9.083 4.748 16.657 1.00 0.00 C ATOM 1034 C ASP A 65 8.588 3.316 16.872 1.00 0.00 C ATOM 1035 O ASP A 65 9.387 2.382 16.929 1.00 0.00 O ATOM 1036 CB ASP A 65 8.599 5.597 17.834 1.00 0.00 C ATOM 1037 CG ASP A 65 8.618 4.891 19.191 1.00 0.00 C ATOM 1038 OD1 ASP A 65 9.635 4.218 19.467 1.00 0.00 O ATOM 1039 OD2 ASP A 65 7.616 5.040 19.923 1.00 0.00 O ATOM 0 H ASP A 65 7.639 5.686 15.462 1.00 0.00 H new ATOM 0 HA ASP A 65 10.171 4.785 16.609 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.220 6.491 17.897 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.582 5.930 17.629 1.00 0.00 H new ATOM 1044 N LYS A 66 7.275 3.188 16.985 1.00 0.00 N ATOM 1045 CA LYS A 66 6.664 1.886 17.192 1.00 0.00 C ATOM 1046 C LYS A 66 6.225 1.313 15.844 1.00 0.00 C ATOM 1047 O LYS A 66 6.328 0.109 15.614 1.00 0.00 O ATOM 1048 CB LYS A 66 5.533 1.982 18.218 1.00 0.00 C ATOM 1049 CG LYS A 66 4.451 2.957 17.751 1.00 0.00 C ATOM 1050 CD LYS A 66 3.153 2.752 18.535 1.00 0.00 C ATOM 1051 CE LYS A 66 1.940 3.192 17.712 1.00 0.00 C ATOM 1052 NZ LYS A 66 1.091 4.118 18.494 1.00 0.00 N ATOM 0 H LYS A 66 6.616 3.965 16.937 1.00 0.00 H new ATOM 0 HA LYS A 66 7.387 1.188 17.614 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.096 0.996 18.376 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.934 2.310 19.177 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.800 3.982 17.880 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.263 2.815 16.687 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.051 1.702 18.807 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.192 3.320 19.464 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.272 3.680 16.796 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.359 2.319 17.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.273 4.407 17.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.759 3.640 19.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.644 4.959 18.756 1.00 0.00 H new ATOM 1066 N LYS A 67 5.744 2.202 14.987 1.00 0.00 N ATOM 1067 CA LYS A 67 5.289 1.799 13.667 1.00 0.00 C ATOM 1068 C LYS A 67 6.484 1.307 12.848 1.00 0.00 C ATOM 1069 O LYS A 67 6.321 0.515 11.922 1.00 0.00 O ATOM 1070 CB LYS A 67 4.511 2.935 12.999 1.00 0.00 C ATOM 1071 CG LYS A 67 3.192 2.427 12.415 1.00 0.00 C ATOM 1072 CD LYS A 67 2.006 3.227 12.958 1.00 0.00 C ATOM 1073 CE LYS A 67 0.938 3.425 11.881 1.00 0.00 C ATOM 1074 NZ LYS A 67 -0.372 3.728 12.499 1.00 0.00 N ATOM 0 H LYS A 67 5.660 3.200 15.181 1.00 0.00 H new ATOM 0 HA LYS A 67 4.590 0.966 13.743 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.312 3.721 13.727 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.116 3.379 12.208 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.219 2.503 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.065 1.372 12.658 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.573 2.707 13.813 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.351 4.197 13.316 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.230 4.238 11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.859 2.526 11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.012 4.121 11.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.782 2.855 12.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.243 4.421 13.264 1.00 0.00 H new ATOM 1088 N GLU A 68 7.657 1.798 13.220 1.00 0.00 N ATOM 1089 CA GLU A 68 8.879 1.418 12.531 1.00 0.00 C ATOM 1090 C GLU A 68 8.652 1.400 11.018 1.00 0.00 C ATOM 1091 O GLU A 68 7.655 1.932 10.530 1.00 0.00 O ATOM 1092 CB GLU A 68 9.387 0.062 13.024 1.00 0.00 C ATOM 1093 CG GLU A 68 10.870 0.134 13.395 1.00 0.00 C ATOM 1094 CD GLU A 68 11.192 -0.807 14.557 1.00 0.00 C ATOM 1095 OE1 GLU A 68 10.533 -1.867 14.627 1.00 0.00 O ATOM 1096 OE2 GLU A 68 12.089 -0.445 15.349 1.00 0.00 O ATOM 0 H GLU A 68 7.787 2.455 13.989 1.00 0.00 H new ATOM 0 HA GLU A 68 9.645 2.160 12.755 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.807 -0.255 13.891 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.238 -0.690 12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.478 -0.130 12.530 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.131 1.157 13.668 1.00 0.00 H new ATOM 1103 N ARG A 69 9.592 0.784 10.317 1.00 0.00 N ATOM 1104 CA ARG A 69 9.507 0.691 8.870 1.00 0.00 C ATOM 1105 C ARG A 69 8.274 -0.118 8.462 1.00 0.00 C ATOM 1106 O ARG A 69 8.292 -1.347 8.501 1.00 0.00 O ATOM 1107 CB ARG A 69 10.758 0.030 8.286 1.00 0.00 C ATOM 1108 CG ARG A 69 11.373 0.897 7.186 1.00 0.00 C ATOM 1109 CD ARG A 69 12.898 0.935 7.306 1.00 0.00 C ATOM 1110 NE ARG A 69 13.500 1.267 5.995 1.00 0.00 N ATOM 1111 CZ ARG A 69 14.789 1.067 5.689 1.00 0.00 C ATOM 1112 NH1 ARG A 69 15.619 0.536 6.597 1.00 0.00 N ATOM 1113 NH2 ARG A 69 15.249 1.398 4.474 1.00 0.00 N ATOM 0 H ARG A 69 10.417 0.344 10.725 1.00 0.00 H new ATOM 0 HA ARG A 69 9.428 1.704 8.477 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.490 -0.134 9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.501 -0.949 7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.091 0.505 6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.974 1.909 7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.194 1.675 8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.268 -0.030 7.652 1.00 0.00 H new ATOM 0 HE ARG A 69 12.896 1.673 5.280 1.00 0.00 H new ATOM 0 HH11 ARG A 69 15.270 0.284 7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.600 0.384 6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.618 1.802 3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.230 1.246 4.241 1.00 0.00 H new ATOM 1127 N HIS A 70 7.232 0.605 8.079 1.00 0.00 N ATOM 1128 CA HIS A 70 5.993 -0.030 7.664 1.00 0.00 C ATOM 1129 C HIS A 70 5.599 0.474 6.274 1.00 0.00 C ATOM 1130 O HIS A 70 5.817 1.639 5.946 1.00 0.00 O ATOM 1131 CB HIS A 70 4.895 0.189 8.706 1.00 0.00 C ATOM 1132 CG HIS A 70 4.189 1.519 8.586 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.876 1.709 8.979 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.627 2.721 8.113 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.549 2.972 8.748 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.636 3.597 8.211 1.00 0.00 N ATOM 0 H HIS A 70 7.220 1.624 8.047 1.00 0.00 H new ATOM 0 HA HIS A 70 6.138 -1.108 7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.159 -0.610 8.617 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.332 0.110 9.701 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.264 0.998 9.379 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.614 2.925 7.724 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.590 3.427 8.949 1.00 0.00 H new ATOM 1144 N ILE A 71 5.026 -0.430 5.493 1.00 0.00 N ATOM 1145 CA ILE A 71 4.600 -0.093 4.145 1.00 0.00 C ATOM 1146 C ILE A 71 3.372 0.817 4.216 1.00 0.00 C ATOM 1147 O ILE A 71 2.455 0.568 4.997 1.00 0.00 O ATOM 1148 CB ILE A 71 4.378 -1.362 3.320 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.708 -1.936 2.827 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.403 -1.104 2.169 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.541 -3.381 2.354 1.00 0.00 C ATOM 0 H ILE A 71 4.847 -1.396 5.768 1.00 0.00 H new ATOM 0 HA ILE A 71 5.381 0.464 3.627 1.00 0.00 H new ATOM 0 HB ILE A 71 3.923 -2.113 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.091 -1.324 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.445 -1.895 3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.263 -2.022 1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.444 -0.776 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.807 -0.330 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.501 -3.764 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.181 -3.995 3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.822 -3.415 1.536 1.00 0.00 H new ATOM 1163 N VAL A 72 3.394 1.852 3.390 1.00 0.00 N ATOM 1164 CA VAL A 72 2.294 2.801 3.349 1.00 0.00 C ATOM 1165 C VAL A 72 1.921 3.080 1.891 1.00 0.00 C ATOM 1166 O VAL A 72 2.796 3.250 1.044 1.00 0.00 O ATOM 1167 CB VAL A 72 2.665 4.066 4.124 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.864 5.270 3.624 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.471 3.865 5.628 1.00 0.00 C ATOM 0 H VAL A 72 4.156 2.055 2.743 1.00 0.00 H new ATOM 0 HA VAL A 72 1.412 2.385 3.836 1.00 0.00 H new ATOM 0 HB VAL A 72 3.721 4.269 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.147 6.156 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.075 5.434 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.799 5.079 3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.742 4.780 6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.427 3.625 5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.105 3.047 5.971 1.00 0.00 H new ATOM 1179 N ILE A 73 0.620 3.120 1.644 1.00 0.00 N ATOM 1180 CA ILE A 73 0.120 3.376 0.304 1.00 0.00 C ATOM 1181 C ILE A 73 -0.530 4.760 0.262 1.00 0.00 C ATOM 1182 O ILE A 73 -1.007 5.256 1.282 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.808 2.246 -0.147 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.029 0.946 -0.355 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.596 2.649 -1.395 1.00 0.00 C ATOM 1186 CD1 ILE A 73 0.114 0.176 0.959 1.00 0.00 C ATOM 0 H ILE A 73 -0.103 2.979 2.349 1.00 0.00 H new ATOM 0 HA ILE A 73 0.941 3.388 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.533 2.062 0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.540 0.325 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.958 1.170 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.248 1.828 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.199 3.530 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.903 2.876 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.672 -0.744 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.647 0.790 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.875 -0.068 1.347 1.00 0.00 H new ATOM 1198 N SER A 74 -0.529 5.344 -0.927 1.00 0.00 N ATOM 1199 CA SER A 74 -1.113 6.661 -1.114 1.00 0.00 C ATOM 1200 C SER A 74 -1.939 6.688 -2.402 1.00 0.00 C ATOM 1201 O SER A 74 -1.750 5.852 -3.283 1.00 0.00 O ATOM 1202 CB SER A 74 -0.031 7.742 -1.155 1.00 0.00 C ATOM 1203 OG SER A 74 -0.303 8.732 -2.144 1.00 0.00 O ATOM 0 H SER A 74 -0.133 4.929 -1.771 1.00 0.00 H new ATOM 0 HA SER A 74 -1.766 6.870 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.044 8.217 -0.177 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.935 7.281 -1.360 1.00 0.00 H new ATOM 0 HG SER A 74 0.409 9.405 -2.138 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.839 7.659 -2.469 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.695 7.806 -3.633 1.00 0.00 C ATOM 1211 C LYS A 75 -2.936 8.558 -4.728 1.00 0.00 C ATOM 1212 O LYS A 75 -2.467 9.674 -4.509 1.00 0.00 O ATOM 1213 CB LYS A 75 -5.021 8.462 -3.244 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.040 7.414 -2.792 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.432 8.032 -2.639 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.481 7.217 -3.397 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.790 7.906 -3.373 1.00 0.00 N ATOM 0 H LYS A 75 -2.993 8.351 -1.736 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.956 6.829 -4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.854 9.181 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.418 9.018 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.077 6.601 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.724 6.980 -1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.698 8.081 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.422 9.056 -3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.160 7.070 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.576 6.228 -2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.490 7.339 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.102 8.024 -2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.699 8.840 -3.822 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.836 7.916 -5.883 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.141 8.510 -7.012 1.00 0.00 C ATOM 1233 C VAL A 76 -3.102 8.616 -8.198 1.00 0.00 C ATOM 1234 O VAL A 76 -4.148 7.968 -8.215 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.881 7.704 -7.334 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.188 8.246 -8.585 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.077 7.684 -6.141 1.00 0.00 C ATOM 0 H VAL A 76 -3.225 6.990 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.811 9.520 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.184 6.677 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.704 7.655 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.869 8.184 -9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.095 9.286 -8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.964 7.105 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.369 8.704 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.419 7.229 -5.284 1.00 0.00 H new ATOM 1247 N ASP A 77 -2.713 9.438 -9.161 1.00 0.00 N ATOM 1248 CA ASP A 77 -3.527 9.638 -10.349 1.00 0.00 C ATOM 1249 C ASP A 77 -2.623 10.013 -11.524 1.00 0.00 C ATOM 1250 O ASP A 77 -1.477 10.415 -11.327 1.00 0.00 O ATOM 1251 CB ASP A 77 -4.531 10.774 -10.143 1.00 0.00 C ATOM 1252 CG ASP A 77 -5.877 10.581 -10.846 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -5.947 9.670 -11.698 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -6.805 11.350 -10.514 1.00 0.00 O ATOM 0 H ASP A 77 -1.845 9.974 -9.144 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.066 8.712 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.710 10.892 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.083 11.703 -10.496 1.00 0.00 H new ATOM 1259 N GLU A 78 -3.172 9.869 -12.721 1.00 0.00 N ATOM 1260 CA GLU A 78 -2.429 10.188 -13.929 1.00 0.00 C ATOM 1261 C GLU A 78 -2.273 11.703 -14.071 1.00 0.00 C ATOM 1262 O GLU A 78 -1.175 12.196 -14.325 1.00 0.00 O ATOM 1263 CB GLU A 78 -3.106 9.588 -15.163 1.00 0.00 C ATOM 1264 CG GLU A 78 -2.107 8.788 -16.002 1.00 0.00 C ATOM 1265 CD GLU A 78 -1.266 9.713 -16.883 1.00 0.00 C ATOM 1266 OE1 GLU A 78 -1.763 10.063 -17.975 1.00 0.00 O ATOM 1267 OE2 GLU A 78 -0.145 10.050 -16.444 1.00 0.00 O ATOM 0 H GLU A 78 -4.123 9.536 -12.881 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.436 9.746 -13.849 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.927 8.941 -14.853 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.539 10.385 -15.768 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.454 8.213 -15.346 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.642 8.073 -16.627 1.00 0.00 H new ATOM 1274 N GLU A 79 -3.387 12.400 -13.902 1.00 0.00 N ATOM 1275 CA GLU A 79 -3.387 13.849 -14.008 1.00 0.00 C ATOM 1276 C GLU A 79 -2.574 14.465 -12.868 1.00 0.00 C ATOM 1277 O GLU A 79 -2.100 15.595 -12.978 1.00 0.00 O ATOM 1278 CB GLU A 79 -4.815 14.397 -14.022 1.00 0.00 C ATOM 1279 CG GLU A 79 -5.586 13.952 -12.777 1.00 0.00 C ATOM 1280 CD GLU A 79 -6.771 14.881 -12.505 1.00 0.00 C ATOM 1281 OE1 GLU A 79 -6.510 16.082 -12.277 1.00 0.00 O ATOM 1282 OE2 GLU A 79 -7.911 14.368 -12.530 1.00 0.00 O ATOM 0 H GLU A 79 -4.296 11.988 -13.692 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.918 14.125 -14.952 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.790 15.486 -14.069 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.332 14.051 -14.917 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.943 12.931 -12.912 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.919 13.945 -11.915 1.00 0.00 H new ATOM 1289 N GLU A 80 -2.437 13.695 -11.798 1.00 0.00 N ATOM 1290 CA GLU A 80 -1.690 14.151 -10.639 1.00 0.00 C ATOM 1291 C GLU A 80 -0.209 14.308 -10.990 1.00 0.00 C ATOM 1292 O GLU A 80 0.318 15.420 -10.989 1.00 0.00 O ATOM 1293 CB GLU A 80 -1.874 13.196 -9.457 1.00 0.00 C ATOM 1294 CG GLU A 80 -1.227 13.760 -8.190 1.00 0.00 C ATOM 1295 CD GLU A 80 -0.569 12.649 -7.370 1.00 0.00 C ATOM 1296 OE1 GLU A 80 -1.331 11.835 -6.804 1.00 0.00 O ATOM 1297 OE2 GLU A 80 0.680 12.639 -7.326 1.00 0.00 O ATOM 0 H GLU A 80 -2.831 12.758 -11.710 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.079 15.125 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.937 13.028 -9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.433 12.228 -9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.481 14.508 -8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.981 14.265 -7.586 1.00 0.00 H new ATOM 1304 N ARG A 81 0.420 13.179 -11.282 1.00 0.00 N ATOM 1305 CA ARG A 81 1.830 13.178 -11.634 1.00 0.00 C ATOM 1306 C ARG A 81 2.049 13.931 -12.948 1.00 0.00 C ATOM 1307 O ARG A 81 1.284 13.768 -13.897 1.00 0.00 O ATOM 1308 CB ARG A 81 2.360 11.750 -11.779 1.00 0.00 C ATOM 1309 CG ARG A 81 3.865 11.693 -11.506 1.00 0.00 C ATOM 1310 CD ARG A 81 4.151 11.066 -10.141 1.00 0.00 C ATOM 1311 NE ARG A 81 5.454 11.545 -9.627 1.00 0.00 N ATOM 1312 CZ ARG A 81 6.029 11.098 -8.502 1.00 0.00 C ATOM 1313 NH1 ARG A 81 5.419 10.158 -7.767 1.00 0.00 N ATOM 1314 NH2 ARG A 81 7.212 11.590 -8.113 1.00 0.00 N ATOM 0 H ARG A 81 -0.021 12.259 -11.282 1.00 0.00 H new ATOM 0 HA ARG A 81 2.373 13.676 -10.831 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.836 11.092 -11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.155 11.383 -12.785 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.358 11.114 -12.287 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.283 12.699 -11.543 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.357 11.324 -9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.161 9.979 -10.226 1.00 0.00 H new ATOM 0 HE ARG A 81 5.945 12.260 -10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.518 9.783 -8.064 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.856 9.817 -6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.676 12.305 -8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.649 11.250 -7.257 1.00 0.00 H new ATOM 1328 N SER A 82 3.099 14.740 -12.961 1.00 0.00 N ATOM 1329 CA SER A 82 3.429 15.519 -14.142 1.00 0.00 C ATOM 1330 C SER A 82 4.524 14.814 -14.945 1.00 0.00 C ATOM 1331 O SER A 82 4.398 14.644 -16.157 1.00 0.00 O ATOM 1332 CB SER A 82 3.875 16.933 -13.763 1.00 0.00 C ATOM 1333 OG SER A 82 3.669 17.860 -14.825 1.00 0.00 O ATOM 0 H SER A 82 3.732 14.872 -12.172 1.00 0.00 H new ATOM 0 HA SER A 82 2.533 15.603 -14.757 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.325 17.263 -12.882 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.931 16.920 -13.493 1.00 0.00 H new ATOM 0 HG SER A 82 3.964 18.751 -14.543 1.00 0.00 H new ATOM 1339 N GLY A 83 5.574 14.423 -14.237 1.00 0.00 N ATOM 1340 CA GLY A 83 6.690 13.741 -14.868 1.00 0.00 C ATOM 1341 C GLY A 83 6.198 12.711 -15.887 1.00 0.00 C ATOM 1342 O GLY A 83 5.505 11.760 -15.529 1.00 0.00 O ATOM 0 H GLY A 83 5.675 14.566 -13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.333 14.469 -15.363 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.295 13.246 -14.108 1.00 0.00 H new ATOM 1346 N PRO A 84 6.585 12.941 -17.170 1.00 0.00 N ATOM 1347 CA PRO A 84 6.191 12.045 -18.244 1.00 0.00 C ATOM 1348 C PRO A 84 6.998 10.746 -18.197 1.00 0.00 C ATOM 1349 O PRO A 84 8.013 10.666 -17.507 1.00 0.00 O ATOM 1350 CB PRO A 84 6.415 12.838 -19.521 1.00 0.00 C ATOM 1351 CG PRO A 84 7.359 13.970 -19.148 1.00 0.00 C ATOM 1352 CD PRO A 84 7.406 14.057 -17.632 1.00 0.00 C ATOM 0 HA PRO A 84 5.151 11.727 -18.167 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.847 12.210 -20.300 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.474 13.226 -19.910 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.355 13.785 -19.551 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.013 14.912 -19.574 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.428 13.976 -17.262 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.014 15.010 -17.278 1.00 0.00 H new ATOM 1360 N SER A 85 6.515 9.760 -18.939 1.00 0.00 N ATOM 1361 CA SER A 85 7.179 8.468 -18.991 1.00 0.00 C ATOM 1362 C SER A 85 8.450 8.567 -19.836 1.00 0.00 C ATOM 1363 O SER A 85 9.548 8.306 -19.346 1.00 0.00 O ATOM 1364 CB SER A 85 6.248 7.393 -19.556 1.00 0.00 C ATOM 1365 OG SER A 85 5.659 7.792 -20.791 1.00 0.00 O ATOM 0 H SER A 85 5.672 9.830 -19.509 1.00 0.00 H new ATOM 0 HA SER A 85 7.448 8.180 -17.975 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.808 6.469 -19.703 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.462 7.177 -18.832 1.00 0.00 H new ATOM 0 HG SER A 85 5.073 7.078 -21.120 1.00 0.00 H new ATOM 1371 N SER A 86 8.260 8.944 -21.092 1.00 0.00 N ATOM 1372 CA SER A 86 9.378 9.080 -22.010 1.00 0.00 C ATOM 1373 C SER A 86 10.423 10.031 -21.425 1.00 0.00 C ATOM 1374 O SER A 86 11.553 9.627 -21.154 1.00 0.00 O ATOM 1375 CB SER A 86 8.910 9.582 -23.378 1.00 0.00 C ATOM 1376 OG SER A 86 9.231 8.666 -24.421 1.00 0.00 O ATOM 0 H SER A 86 7.348 9.160 -21.495 1.00 0.00 H new ATOM 0 HA SER A 86 9.828 8.097 -22.148 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.832 9.743 -23.356 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.372 10.547 -23.588 1.00 0.00 H new ATOM 0 HG SER A 86 8.914 9.022 -25.278 1.00 0.00 H new ATOM 1382 N GLY A 87 10.009 11.277 -21.246 1.00 0.00 N ATOM 1383 CA GLY A 87 10.895 12.289 -20.697 1.00 0.00 C ATOM 1384 C GLY A 87 11.672 12.998 -21.808 1.00 0.00 C ATOM 1385 O GLY A 87 11.894 12.429 -22.875 1.00 0.00 O ATOM 0 H GLY A 87 9.071 11.609 -21.472 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.314 13.018 -20.132 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.592 11.827 -19.998 1.00 0.00 H new TER 1389 GLY A 87