USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 992 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 125 ASN : amide:sc= 0.713 K(o=1.4,f=-2.8) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 143:sc= 0.666 (180deg=0) USER MOD Set 2.1: A 11 ASN : amide:sc= 1.58 K(o=6,f=-3.6) USER MOD Set 2.2: A 16 GLN : amide:sc= 1.59 K(o=6,f=-1.3) USER MOD Set 2.3: A 34 SER OG : rot -92:sc= 1.71 USER MOD Set 2.4: A 60 GLN : amide:sc= 1.14 K(o=6,f=3.8) USER MOD Set 3.1: A 33 THR OG1 : rot 160:sc= 0.829 USER MOD Set 3.2: A 73 TYR OH : rot -170:sc= 1.73 USER MOD Set 4.1: A 5 MET CE :methyl -165:sc= -0.591 (180deg=-1.03) USER MOD Set 4.2: A 35 CYS SG : rot 25:sc= 0.44 USER MOD Single : A 1 MET CE :methyl -131:sc= 0 (180deg=-0.0278) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.02 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 152:sc= 1.27 (180deg=1.16) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 1.21 (180deg=0.954) USER MOD Single : A 8 CYS SG : rot -121:sc= 0.319 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -77:sc= 1.02 USER MOD Single : A 13 CYS SG : rot -70:sc= -0.11 USER MOD Single : A 15 SER OG : rot 82:sc= 1.05 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.0828 (180deg=-0.0828) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 86:sc= 1.11 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0708 USER MOD Single : A 40 SER OG : rot 7:sc= 0.116 USER MOD Single : A 43 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.9) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00918 USER MOD Single : A 49 MET CE :methyl -145:sc= -1.38 (180deg=-2.9!) USER MOD Single : A 50 MET CE :methyl -130:sc= -4.18 (180deg=-14.1!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.142 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -148:sc= 1.26 USER MOD Single : A 67 ASN : amide:sc= 1 K(o=1,f=-0.66) USER MOD Single : A 69 ASN : amide:sc= 1.04 K(o=1,f=-0.025) USER MOD Single : A 78 SER OG : rot -100:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.91) USER MOD Single : A 92 THR OG1 : rot -5:sc= 0.377 USER MOD Single : A 93 GLN : amide:sc= 0.976 K(o=0.98,f=-0.13) USER MOD Single : A 100 GLN : amide:sc= 0.905 K(o=0.91,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.8 K(o=0.8,f=-0.77) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 67:sc= 1.25 USER MOD Single : A 118 GLN : amide:sc= 1.27 K(o=1.3,f=-3.7!) USER MOD Single : A 120 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.15) USER MOD Single : A 131 SER OG : rot 77:sc= 0.209 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.491 -0.637 -2.813 1.00 0.00 N ATOM 2 CA MET A 1 2.490 0.454 -2.939 1.00 0.00 C ATOM 3 C MET A 1 3.750 0.120 -2.137 1.00 0.00 C ATOM 4 O MET A 1 3.666 -0.451 -1.048 1.00 0.00 O ATOM 5 CB MET A 1 1.892 1.815 -2.520 1.00 0.00 C ATOM 6 CG MET A 1 2.892 2.984 -2.492 1.00 0.00 C ATOM 7 SD MET A 1 2.137 4.633 -2.435 1.00 0.00 S ATOM 8 CE MET A 1 1.544 4.807 -4.146 1.00 0.00 C ATOM 0 H1 MET A 1 0.548 -0.228 -2.654 1.00 0.00 H new ATOM 0 H2 MET A 1 1.481 -1.201 -3.687 1.00 0.00 H new ATOM 0 H3 MET A 1 1.743 -1.248 -2.010 1.00 0.00 H new ATOM 0 HA MET A 1 2.772 0.540 -3.988 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.082 2.066 -3.205 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.450 1.711 -1.529 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.541 2.867 -1.624 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.527 2.921 -3.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.861 5.771 -4.545 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.960 4.007 -4.758 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.456 4.748 -4.162 1.00 0.00 H new ATOM 18 N LYS A 2 4.921 0.501 -2.660 1.00 0.00 N ATOM 19 CA LYS A 2 6.193 0.444 -1.933 1.00 0.00 C ATOM 20 C LYS A 2 6.639 1.873 -1.661 1.00 0.00 C ATOM 21 O LYS A 2 6.573 2.717 -2.554 1.00 0.00 O ATOM 22 CB LYS A 2 7.269 -0.297 -2.752 1.00 0.00 C ATOM 23 CG LYS A 2 7.288 -1.825 -2.579 1.00 0.00 C ATOM 24 CD LYS A 2 6.088 -2.546 -3.211 1.00 0.00 C ATOM 25 CE LYS A 2 6.283 -4.070 -3.272 1.00 0.00 C ATOM 26 NZ LYS A 2 6.387 -4.706 -1.935 1.00 0.00 N ATOM 0 H LYS A 2 5.012 0.861 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 2 6.057 -0.103 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.120 -0.069 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.247 0.096 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.205 -2.218 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.318 -2.058 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.189 -2.321 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.927 -2.163 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.448 -4.514 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.185 -4.291 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.048 -5.688 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.379 -4.699 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.806 -4.177 -1.253 1.00 0.00 H new ATOM 40 N LYS A 3 7.096 2.169 -0.450 1.00 0.00 N ATOM 41 CA LYS A 3 7.746 3.446 -0.182 1.00 0.00 C ATOM 42 C LYS A 3 9.199 3.325 -0.595 1.00 0.00 C ATOM 43 O LYS A 3 9.834 2.329 -0.256 1.00 0.00 O ATOM 44 CB LYS A 3 7.587 3.834 1.296 1.00 0.00 C ATOM 45 CG LYS A 3 6.379 4.779 1.378 1.00 0.00 C ATOM 46 CD LYS A 3 6.058 5.226 2.801 1.00 0.00 C ATOM 47 CE LYS A 3 5.084 6.405 2.775 1.00 0.00 C ATOM 48 NZ LYS A 3 4.706 6.825 4.143 1.00 0.00 N ATOM 0 H LYS A 3 7.029 1.548 0.356 1.00 0.00 H new ATOM 0 HA LYS A 3 7.280 4.246 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.429 2.950 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.487 4.324 1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.572 5.658 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.507 4.280 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.624 4.398 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.975 5.513 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.540 7.244 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.189 6.127 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.170 7.715 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.117 6.089 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.565 6.967 4.712 1.00 0.00 H new ATOM 62 N VAL A 4 9.747 4.322 -1.275 1.00 0.00 N ATOM 63 CA VAL A 4 11.121 4.312 -1.731 1.00 0.00 C ATOM 64 C VAL A 4 11.870 5.480 -1.112 1.00 0.00 C ATOM 65 O VAL A 4 11.322 6.562 -0.890 1.00 0.00 O ATOM 66 CB VAL A 4 11.147 4.300 -3.268 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.551 5.538 -3.938 1.00 0.00 C ATOM 68 CG2 VAL A 4 12.570 4.113 -3.814 1.00 0.00 C ATOM 0 H VAL A 4 9.239 5.170 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 4 11.637 3.409 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 4 10.512 3.450 -3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.617 5.433 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.506 5.642 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.105 6.423 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.544 4.110 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.203 4.930 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.975 3.165 -3.458 1.00 0.00 H new ATOM 78 N MET A 5 13.144 5.235 -0.855 1.00 0.00 N ATOM 79 CA MET A 5 14.053 6.166 -0.228 1.00 0.00 C ATOM 80 C MET A 5 15.290 6.303 -1.113 1.00 0.00 C ATOM 81 O MET A 5 15.753 5.296 -1.646 1.00 0.00 O ATOM 82 CB MET A 5 14.358 5.632 1.176 1.00 0.00 C ATOM 83 CG MET A 5 15.521 6.361 1.835 1.00 0.00 C ATOM 84 SD MET A 5 15.379 8.173 1.939 1.00 0.00 S ATOM 85 CE MET A 5 13.923 8.382 2.996 1.00 0.00 C ATOM 0 H MET A 5 13.586 4.346 -1.089 1.00 0.00 H new ATOM 0 HA MET A 5 13.633 7.166 -0.120 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.470 5.731 1.800 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.587 4.568 1.115 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.643 5.969 2.844 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.432 6.120 1.287 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.567 9.410 2.926 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.136 7.702 2.669 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.189 8.160 4.029 1.00 0.00 H new ATOM 95 N PHE A 6 15.857 7.509 -1.222 1.00 0.00 N ATOM 96 CA PHE A 6 17.128 7.772 -1.901 1.00 0.00 C ATOM 97 C PHE A 6 18.070 8.468 -0.901 1.00 0.00 C ATOM 98 O PHE A 6 17.698 9.532 -0.413 1.00 0.00 O ATOM 99 CB PHE A 6 16.921 8.622 -3.159 1.00 0.00 C ATOM 100 CG PHE A 6 16.019 7.978 -4.194 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.563 7.130 -5.185 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.630 8.208 -4.148 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.729 6.525 -6.145 1.00 0.00 C ATOM 104 CE2 PHE A 6 13.805 7.561 -5.088 1.00 0.00 C ATOM 105 CZ PHE A 6 14.348 6.745 -6.089 1.00 0.00 C ATOM 0 H PHE A 6 15.433 8.350 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 6 17.572 6.833 -2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.497 9.584 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.891 8.825 -3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.627 6.944 -5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.206 8.868 -3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.151 5.898 -6.916 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.735 7.696 -5.036 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.699 6.285 -6.819 1.00 0.00 H new ATOM 115 N VAL A 7 19.260 7.939 -0.588 1.00 0.00 N ATOM 116 CA VAL A 7 20.122 8.433 0.505 1.00 0.00 C ATOM 117 C VAL A 7 21.523 8.742 -0.030 1.00 0.00 C ATOM 118 O VAL A 7 22.210 7.829 -0.480 1.00 0.00 O ATOM 119 CB VAL A 7 20.248 7.384 1.641 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.927 7.991 2.881 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.915 6.758 2.055 1.00 0.00 C ATOM 0 H VAL A 7 19.660 7.146 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 7 19.661 9.337 0.904 1.00 0.00 H new ATOM 0 HB VAL A 7 20.864 6.587 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 7 21.002 7.234 3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.925 8.339 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.335 8.831 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.085 6.035 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.241 7.538 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.468 6.254 1.198 1.00 0.00 H new ATOM 131 N CYS A 8 21.995 9.988 0.049 1.00 0.00 N ATOM 132 CA CYS A 8 23.314 10.360 -0.473 1.00 0.00 C ATOM 133 C CYS A 8 24.256 10.825 0.630 1.00 0.00 C ATOM 134 O CYS A 8 23.831 11.232 1.707 1.00 0.00 O ATOM 135 CB CYS A 8 23.119 11.427 -1.564 1.00 0.00 C ATOM 136 SG CYS A 8 24.647 11.918 -2.406 1.00 0.00 S ATOM 0 H CYS A 8 21.481 10.761 0.472 1.00 0.00 H new ATOM 0 HA CYS A 8 23.794 9.484 -0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.415 11.048 -2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.665 12.310 -1.115 1.00 0.00 H new ATOM 0 HG CYS A 8 24.831 13.197 -2.261 1.00 0.00 H new ATOM 142 N LYS A 9 25.557 10.833 0.331 1.00 0.00 N ATOM 143 CA LYS A 9 26.581 11.449 1.174 1.00 0.00 C ATOM 144 C LYS A 9 26.340 12.962 1.348 1.00 0.00 C ATOM 145 O LYS A 9 26.869 13.552 2.288 1.00 0.00 O ATOM 146 CB LYS A 9 27.977 11.115 0.598 1.00 0.00 C ATOM 147 CG LYS A 9 28.668 10.032 1.439 1.00 0.00 C ATOM 148 CD LYS A 9 29.993 9.573 0.810 1.00 0.00 C ATOM 149 CE LYS A 9 30.676 8.462 1.627 1.00 0.00 C ATOM 150 NZ LYS A 9 31.235 8.947 2.917 1.00 0.00 N ATOM 0 H LYS A 9 25.933 10.406 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 9 26.526 11.035 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.878 10.774 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.592 12.015 0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.857 10.417 2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.002 9.176 1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.806 9.214 -0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.667 10.426 0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 9 29.955 7.669 1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.477 8.022 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 31.681 8.155 3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 31.945 9.684 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.470 9.342 3.500 1.00 0.00 H new ATOM 164 N ARG A 10 25.528 13.585 0.483 1.00 0.00 N ATOM 165 CA ARG A 10 25.003 14.935 0.588 1.00 0.00 C ATOM 166 C ARG A 10 23.713 14.894 -0.214 1.00 0.00 C ATOM 167 O ARG A 10 23.745 14.652 -1.418 1.00 0.00 O ATOM 168 CB ARG A 10 25.999 16.002 0.086 1.00 0.00 C ATOM 169 CG ARG A 10 26.526 15.887 -1.362 1.00 0.00 C ATOM 170 CD ARG A 10 27.588 16.962 -1.631 1.00 0.00 C ATOM 171 NE ARG A 10 27.038 18.331 -1.576 1.00 0.00 N ATOM 172 CZ ARG A 10 27.236 19.262 -0.635 1.00 0.00 C ATOM 173 NH1 ARG A 10 27.907 18.995 0.484 1.00 0.00 N ATOM 174 NH2 ARG A 10 26.745 20.473 -0.853 1.00 0.00 N ATOM 0 H ARG A 10 25.204 13.118 -0.364 1.00 0.00 H new ATOM 0 HA ARG A 10 24.827 15.231 1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.523 16.977 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.860 15.995 0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 10 26.952 14.897 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.701 15.997 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 10 28.389 16.867 -0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 10 28.031 16.792 -2.612 1.00 0.00 H new ATOM 0 HE ARG A 10 26.432 18.601 -2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 10 28.285 18.061 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 10 28.042 19.725 1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 10 26.236 20.669 -1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 10 26.876 21.209 -0.159 1.00 0.00 H new ATOM 188 N ASN A 11 22.572 15.040 0.459 1.00 0.00 N ATOM 189 CA ASN A 11 21.234 14.953 -0.156 1.00 0.00 C ATOM 190 C ASN A 11 21.113 15.793 -1.449 1.00 0.00 C ATOM 191 O ASN A 11 20.382 15.405 -2.360 1.00 0.00 O ATOM 192 CB ASN A 11 20.151 15.376 0.849 1.00 0.00 C ATOM 193 CG ASN A 11 18.755 15.298 0.231 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.068 16.303 0.134 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.296 14.138 -0.205 1.00 0.00 N ATOM 0 H ASN A 11 22.543 15.225 1.462 1.00 0.00 H new ATOM 0 HA ASN A 11 21.086 13.910 -0.435 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.198 14.733 1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.344 16.394 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.367 14.082 -0.623 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.870 13.299 -0.124 1.00 0.00 H new ATOM 202 N SER A 12 21.857 16.900 -1.532 1.00 0.00 N ATOM 203 CA SER A 12 21.840 17.971 -2.522 1.00 0.00 C ATOM 204 C SER A 12 21.550 17.648 -3.990 1.00 0.00 C ATOM 205 O SER A 12 20.946 18.500 -4.646 1.00 0.00 O ATOM 206 CB SER A 12 23.212 18.651 -2.465 1.00 0.00 C ATOM 207 OG SER A 12 23.469 19.097 -1.154 1.00 0.00 O ATOM 0 H SER A 12 22.566 17.084 -0.823 1.00 0.00 H new ATOM 0 HA SER A 12 20.979 18.573 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.988 17.953 -2.780 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.240 19.492 -3.157 1.00 0.00 H new ATOM 0 HG SER A 12 22.958 19.915 -0.981 1.00 0.00 H new ATOM 213 N CYS A 13 21.992 16.508 -4.537 1.00 0.00 N ATOM 214 CA CYS A 13 21.928 16.283 -5.984 1.00 0.00 C ATOM 215 C CYS A 13 21.471 14.876 -6.362 1.00 0.00 C ATOM 216 O CYS A 13 20.368 14.745 -6.894 1.00 0.00 O ATOM 217 CB CYS A 13 23.275 16.661 -6.633 1.00 0.00 C ATOM 218 SG CYS A 13 24.702 15.898 -5.797 1.00 0.00 S ATOM 0 H CYS A 13 22.393 15.736 -4.005 1.00 0.00 H new ATOM 0 HA CYS A 13 21.154 16.938 -6.383 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.267 16.356 -7.679 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.388 17.745 -6.618 1.00 0.00 H new ATOM 0 HG CYS A 13 24.864 16.445 -4.629 1.00 0.00 H new ATOM 224 N ARG A 14 22.282 13.836 -6.106 1.00 0.00 N ATOM 225 CA ARG A 14 22.018 12.482 -6.628 1.00 0.00 C ATOM 226 C ARG A 14 20.610 12.036 -6.209 1.00 0.00 C ATOM 227 O ARG A 14 19.785 11.649 -7.035 1.00 0.00 O ATOM 228 CB ARG A 14 23.084 11.464 -6.165 1.00 0.00 C ATOM 229 CG ARG A 14 24.425 11.744 -6.855 1.00 0.00 C ATOM 230 CD ARG A 14 25.533 10.779 -6.425 1.00 0.00 C ATOM 231 NE ARG A 14 26.238 11.232 -5.223 1.00 0.00 N ATOM 232 CZ ARG A 14 27.233 10.589 -4.605 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.816 9.521 -5.142 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.693 11.072 -3.460 1.00 0.00 N ATOM 0 H ARG A 14 23.128 13.906 -5.540 1.00 0.00 H new ATOM 0 HA ARG A 14 22.075 12.519 -7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.205 11.521 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.753 10.451 -6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.292 11.678 -7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.735 12.765 -6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 14 25.102 9.795 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.248 10.665 -7.240 1.00 0.00 H new ATOM 0 HE ARG A 14 25.942 12.121 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 14 27.506 9.173 -6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 14 28.574 9.050 -4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.288 11.921 -3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.452 10.595 -2.974 1.00 0.00 H new ATOM 248 N SER A 15 20.343 12.160 -4.912 1.00 0.00 N ATOM 249 CA SER A 15 19.102 11.808 -4.236 1.00 0.00 C ATOM 250 C SER A 15 17.941 12.701 -4.678 1.00 0.00 C ATOM 251 O SER A 15 16.875 12.194 -5.019 1.00 0.00 O ATOM 252 CB SER A 15 19.328 11.937 -2.718 1.00 0.00 C ATOM 253 OG SER A 15 20.496 12.679 -2.404 1.00 0.00 O ATOM 0 H SER A 15 21.036 12.534 -4.264 1.00 0.00 H new ATOM 0 HA SER A 15 18.832 10.785 -4.498 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.462 12.419 -2.265 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.405 10.942 -2.279 1.00 0.00 H new ATOM 0 HG SER A 15 20.296 13.637 -2.447 1.00 0.00 H new ATOM 259 N GLN A 16 18.147 14.022 -4.675 1.00 0.00 N ATOM 260 CA GLN A 16 17.107 15.001 -4.982 1.00 0.00 C ATOM 261 C GLN A 16 16.565 14.794 -6.399 1.00 0.00 C ATOM 262 O GLN A 16 15.349 14.813 -6.602 1.00 0.00 O ATOM 263 CB GLN A 16 17.695 16.413 -4.801 1.00 0.00 C ATOM 264 CG GLN A 16 17.679 16.863 -3.329 1.00 0.00 C ATOM 265 CD GLN A 16 16.313 17.361 -2.847 1.00 0.00 C ATOM 266 OE1 GLN A 16 15.529 17.928 -3.601 1.00 0.00 O ATOM 267 NE2 GLN A 16 16.002 17.180 -1.578 1.00 0.00 N ATOM 0 H GLN A 16 19.050 14.443 -4.457 1.00 0.00 H new ATOM 0 HA GLN A 16 16.265 14.874 -4.302 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.719 16.429 -5.173 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.126 17.122 -5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.993 16.029 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.413 17.658 -3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.657 16.708 -0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.106 17.512 -1.220 1.00 0.00 H new ATOM 276 N MET A 17 17.453 14.552 -7.370 1.00 0.00 N ATOM 277 CA MET A 17 17.045 14.268 -8.739 1.00 0.00 C ATOM 278 C MET A 17 16.306 12.935 -8.824 1.00 0.00 C ATOM 279 O MET A 17 15.236 12.871 -9.430 1.00 0.00 O ATOM 280 CB MET A 17 18.262 14.254 -9.668 1.00 0.00 C ATOM 281 CG MET A 17 18.758 15.671 -9.972 1.00 0.00 C ATOM 282 SD MET A 17 19.849 15.816 -11.415 1.00 0.00 S ATOM 283 CE MET A 17 21.334 14.997 -10.789 1.00 0.00 C ATOM 0 H MET A 17 18.463 14.549 -7.226 1.00 0.00 H new ATOM 0 HA MET A 17 16.366 15.058 -9.058 1.00 0.00 H new ATOM 0 HB2 MET A 17 19.065 13.678 -9.208 1.00 0.00 H new ATOM 0 HB3 MET A 17 18.003 13.751 -10.600 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.893 16.316 -10.125 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.287 16.049 -9.097 1.00 0.00 H new ATOM 0 HE1 MET A 17 22.105 15.002 -11.560 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.698 15.527 -9.909 1.00 0.00 H new ATOM 0 HE3 MET A 17 21.096 13.968 -10.520 1.00 0.00 H new ATOM 293 N ALA A 18 16.850 11.880 -8.204 1.00 0.00 N ATOM 294 CA ALA A 18 16.229 10.563 -8.225 1.00 0.00 C ATOM 295 C ALA A 18 14.798 10.630 -7.693 1.00 0.00 C ATOM 296 O ALA A 18 13.898 10.005 -8.253 1.00 0.00 O ATOM 297 CB ALA A 18 17.071 9.580 -7.409 1.00 0.00 C ATOM 0 H ALA A 18 17.724 11.921 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 18 16.183 10.211 -9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.602 8.596 -7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.071 9.514 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.141 9.929 -6.379 1.00 0.00 H new ATOM 303 N GLU A 19 14.586 11.432 -6.651 1.00 0.00 N ATOM 304 CA GLU A 19 13.276 11.634 -6.064 1.00 0.00 C ATOM 305 C GLU A 19 12.338 12.319 -7.049 1.00 0.00 C ATOM 306 O GLU A 19 11.284 11.758 -7.342 1.00 0.00 O ATOM 307 CB GLU A 19 13.425 12.375 -4.734 1.00 0.00 C ATOM 308 CG GLU A 19 12.180 13.119 -4.232 1.00 0.00 C ATOM 309 CD GLU A 19 12.427 13.648 -2.814 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.427 14.376 -2.626 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.650 13.322 -1.892 1.00 0.00 O ATOM 0 H GLU A 19 15.328 11.960 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 19 12.810 10.673 -5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.725 11.655 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.238 13.094 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.944 13.946 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.319 12.450 -4.236 1.00 0.00 H new ATOM 318 N GLY A 20 12.715 13.483 -7.588 1.00 0.00 N ATOM 319 CA GLY A 20 11.909 14.189 -8.579 1.00 0.00 C ATOM 320 C GLY A 20 11.499 13.289 -9.752 1.00 0.00 C ATOM 321 O GLY A 20 10.345 13.351 -10.188 1.00 0.00 O ATOM 0 H GLY A 20 13.585 13.958 -7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.014 14.585 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.471 15.042 -8.959 1.00 0.00 H new ATOM 325 N PHE A 21 12.392 12.422 -10.249 1.00 0.00 N ATOM 326 CA PHE A 21 12.007 11.475 -11.292 1.00 0.00 C ATOM 327 C PHE A 21 11.029 10.452 -10.717 1.00 0.00 C ATOM 328 O PHE A 21 9.987 10.232 -11.315 1.00 0.00 O ATOM 329 CB PHE A 21 13.218 10.796 -11.959 1.00 0.00 C ATOM 330 CG PHE A 21 14.164 11.746 -12.677 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.694 12.612 -13.687 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.511 11.815 -12.282 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.527 13.631 -14.182 1.00 0.00 C ATOM 334 CE2 PHE A 21 16.354 12.808 -12.807 1.00 0.00 C ATOM 335 CZ PHE A 21 15.843 13.743 -13.721 1.00 0.00 C ATOM 0 H PHE A 21 13.365 12.360 -9.950 1.00 0.00 H new ATOM 0 HA PHE A 21 11.512 12.033 -12.087 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.778 10.254 -11.197 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.855 10.057 -12.674 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.695 12.492 -14.080 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.900 11.101 -11.571 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.151 14.327 -14.918 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.391 12.852 -12.509 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.468 14.552 -14.070 1.00 0.00 H new ATOM 345 N ALA A 22 11.287 9.860 -9.552 1.00 0.00 N ATOM 346 CA ALA A 22 10.450 8.817 -8.968 1.00 0.00 C ATOM 347 C ALA A 22 9.008 9.274 -8.729 1.00 0.00 C ATOM 348 O ALA A 22 8.085 8.554 -9.110 1.00 0.00 O ATOM 349 CB ALA A 22 11.099 8.323 -7.675 1.00 0.00 C ATOM 0 H ALA A 22 12.097 10.097 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 22 10.383 7.997 -9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.480 7.543 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.088 7.920 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.193 9.153 -6.975 1.00 0.00 H new ATOM 355 N LYS A 23 8.775 10.466 -8.166 1.00 0.00 N ATOM 356 CA LYS A 23 7.423 10.996 -8.007 1.00 0.00 C ATOM 357 C LYS A 23 6.765 11.383 -9.333 1.00 0.00 C ATOM 358 O LYS A 23 5.569 11.659 -9.340 1.00 0.00 O ATOM 359 CB LYS A 23 7.359 12.151 -6.996 1.00 0.00 C ATOM 360 CG LYS A 23 8.527 13.139 -7.052 1.00 0.00 C ATOM 361 CD LYS A 23 8.139 14.520 -6.526 1.00 0.00 C ATOM 362 CE LYS A 23 7.455 15.297 -7.657 1.00 0.00 C ATOM 363 NZ LYS A 23 6.993 16.640 -7.223 1.00 0.00 N ATOM 0 H LYS A 23 9.510 11.080 -7.814 1.00 0.00 H new ATOM 0 HA LYS A 23 6.840 10.171 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.432 12.701 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.309 11.730 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.359 12.749 -6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.876 13.229 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.468 14.425 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.023 15.055 -6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.149 15.406 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.604 14.724 -8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.538 17.126 -8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.310 16.538 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.807 17.199 -6.897 1.00 0.00 H new ATOM 377 N THR A 24 7.486 11.400 -10.449 1.00 0.00 N ATOM 378 CA THR A 24 6.891 11.555 -11.758 1.00 0.00 C ATOM 379 C THR A 24 6.616 10.185 -12.392 1.00 0.00 C ATOM 380 O THR A 24 5.518 9.925 -12.885 1.00 0.00 O ATOM 381 CB THR A 24 7.855 12.405 -12.608 1.00 0.00 C ATOM 382 OG1 THR A 24 8.187 13.611 -11.940 1.00 0.00 O ATOM 383 CG2 THR A 24 7.210 12.759 -13.942 1.00 0.00 C ATOM 0 H THR A 24 8.502 11.306 -10.464 1.00 0.00 H new ATOM 0 HA THR A 24 5.927 12.059 -11.691 1.00 0.00 H new ATOM 0 HB THR A 24 8.758 11.816 -12.771 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.947 13.455 -11.341 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.902 13.360 -14.533 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.970 11.844 -14.484 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.296 13.327 -13.765 1.00 0.00 H new ATOM 391 N LEU A 25 7.616 9.305 -12.368 1.00 0.00 N ATOM 392 CA LEU A 25 7.654 8.041 -13.085 1.00 0.00 C ATOM 393 C LEU A 25 6.807 6.977 -12.405 1.00 0.00 C ATOM 394 O LEU A 25 6.121 6.208 -13.079 1.00 0.00 O ATOM 395 CB LEU A 25 9.105 7.529 -13.125 1.00 0.00 C ATOM 396 CG LEU A 25 10.096 8.374 -13.943 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.496 7.808 -13.701 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.767 8.348 -15.439 1.00 0.00 C ATOM 0 H LEU A 25 8.461 9.467 -11.820 1.00 0.00 H new ATOM 0 HA LEU A 25 7.261 8.219 -14.086 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.474 7.462 -12.102 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.101 6.517 -13.529 1.00 0.00 H new ATOM 0 HG LEU A 25 10.033 9.415 -13.625 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.225 8.386 -14.268 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.734 7.867 -12.639 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.528 6.767 -14.023 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.490 8.957 -15.981 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.811 7.322 -15.803 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.765 8.747 -15.598 1.00 0.00 H new ATOM 410 N GLY A 26 6.879 6.928 -11.075 1.00 0.00 N ATOM 411 CA GLY A 26 6.325 5.843 -10.284 1.00 0.00 C ATOM 412 C GLY A 26 5.229 6.251 -9.315 1.00 0.00 C ATOM 413 O GLY A 26 4.642 5.357 -8.703 1.00 0.00 O ATOM 0 H GLY A 26 7.330 7.652 -10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.928 5.086 -10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.132 5.375 -9.720 1.00 0.00 H new ATOM 417 N ALA A 27 4.929 7.544 -9.161 1.00 0.00 N ATOM 418 CA ALA A 27 3.748 7.976 -8.419 1.00 0.00 C ATOM 419 C ALA A 27 2.510 7.270 -8.990 1.00 0.00 C ATOM 420 O ALA A 27 2.109 7.532 -10.127 1.00 0.00 O ATOM 421 CB ALA A 27 3.619 9.503 -8.460 1.00 0.00 C ATOM 0 H ALA A 27 5.489 8.307 -9.541 1.00 0.00 H new ATOM 0 HA ALA A 27 3.843 7.698 -7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.734 9.808 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.504 9.955 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.528 9.833 -9.495 1.00 0.00 H new ATOM 427 N GLY A 28 1.955 6.332 -8.217 1.00 0.00 N ATOM 428 CA GLY A 28 0.912 5.402 -8.646 1.00 0.00 C ATOM 429 C GLY A 28 1.188 3.975 -8.155 1.00 0.00 C ATOM 430 O GLY A 28 0.244 3.232 -7.882 1.00 0.00 O ATOM 0 H GLY A 28 2.230 6.197 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.053 5.737 -8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.846 5.406 -9.734 1.00 0.00 H new ATOM 434 N LYS A 29 2.466 3.608 -7.973 1.00 0.00 N ATOM 435 CA LYS A 29 2.899 2.345 -7.361 1.00 0.00 C ATOM 436 C LYS A 29 3.927 2.576 -6.262 1.00 0.00 C ATOM 437 O LYS A 29 4.069 1.723 -5.384 1.00 0.00 O ATOM 438 CB LYS A 29 3.446 1.350 -8.403 1.00 0.00 C ATOM 439 CG LYS A 29 4.756 1.767 -9.104 1.00 0.00 C ATOM 440 CD LYS A 29 4.559 2.589 -10.378 1.00 0.00 C ATOM 441 CE LYS A 29 4.040 1.710 -11.527 1.00 0.00 C ATOM 442 NZ LYS A 29 3.905 2.456 -12.804 1.00 0.00 N ATOM 0 H LYS A 29 3.248 4.199 -8.256 1.00 0.00 H new ATOM 0 HA LYS A 29 2.010 1.902 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.608 0.391 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.682 1.193 -9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.360 2.344 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.323 0.869 -9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.854 3.398 -10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.503 3.051 -10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.720 0.870 -11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.072 1.293 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.552 1.816 -13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.236 3.242 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.833 2.833 -13.086 1.00 0.00 H new ATOM 456 N ILE A 30 4.606 3.723 -6.277 1.00 0.00 N ATOM 457 CA ILE A 30 5.524 4.115 -5.222 1.00 0.00 C ATOM 458 C ILE A 30 5.209 5.505 -4.684 1.00 0.00 C ATOM 459 O ILE A 30 4.602 6.333 -5.366 1.00 0.00 O ATOM 460 CB ILE A 30 6.992 4.036 -5.690 1.00 0.00 C ATOM 461 CG1 ILE A 30 7.264 4.840 -6.978 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.422 2.578 -5.876 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.730 5.238 -7.163 1.00 0.00 C ATOM 0 H ILE A 30 4.530 4.407 -7.030 1.00 0.00 H new ATOM 0 HA ILE A 30 5.388 3.403 -4.408 1.00 0.00 H new ATOM 0 HB ILE A 30 7.589 4.494 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.947 4.249 -7.837 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.652 5.742 -6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.460 2.544 -6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.325 2.046 -4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.787 2.104 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.840 5.800 -8.090 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.048 5.857 -6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.348 4.341 -7.207 1.00 0.00 H new ATOM 475 N ALA A 31 5.683 5.747 -3.463 1.00 0.00 N ATOM 476 CA ALA A 31 5.724 7.036 -2.796 1.00 0.00 C ATOM 477 C ALA A 31 7.181 7.225 -2.385 1.00 0.00 C ATOM 478 O ALA A 31 7.781 6.297 -1.842 1.00 0.00 O ATOM 479 CB ALA A 31 4.805 7.014 -1.571 1.00 0.00 C ATOM 0 H ALA A 31 6.070 5.002 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 31 5.382 7.851 -3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.839 7.983 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.783 6.803 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.138 6.240 -0.880 1.00 0.00 H new ATOM 485 N VAL A 32 7.761 8.389 -2.656 1.00 0.00 N ATOM 486 CA VAL A 32 9.186 8.617 -2.518 1.00 0.00 C ATOM 487 C VAL A 32 9.540 9.676 -1.474 1.00 0.00 C ATOM 488 O VAL A 32 8.765 10.601 -1.212 1.00 0.00 O ATOM 489 CB VAL A 32 9.703 9.006 -3.916 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.920 10.122 -4.618 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.181 9.390 -3.881 1.00 0.00 C ATOM 0 H VAL A 32 7.245 9.207 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 32 9.665 7.710 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 32 9.552 8.101 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.364 10.320 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.883 9.813 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.956 11.028 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.511 9.658 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.320 10.240 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.768 8.545 -3.520 1.00 0.00 H new ATOM 501 N THR A 33 10.743 9.547 -0.911 1.00 0.00 N ATOM 502 CA THR A 33 11.399 10.548 -0.102 1.00 0.00 C ATOM 503 C THR A 33 12.900 10.415 -0.404 1.00 0.00 C ATOM 504 O THR A 33 13.377 9.308 -0.653 1.00 0.00 O ATOM 505 CB THR A 33 11.102 10.332 1.392 1.00 0.00 C ATOM 506 OG1 THR A 33 9.726 10.097 1.645 1.00 0.00 O ATOM 507 CG2 THR A 33 11.539 11.519 2.252 1.00 0.00 C ATOM 0 H THR A 33 11.302 8.701 -1.018 1.00 0.00 H new ATOM 0 HA THR A 33 11.040 11.550 -0.336 1.00 0.00 H new ATOM 0 HB THR A 33 11.680 9.449 1.663 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.624 9.660 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.307 11.316 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.612 11.673 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.009 12.416 1.931 1.00 0.00 H new ATOM 515 N SER A 34 13.660 11.505 -0.421 1.00 0.00 N ATOM 516 CA SER A 34 15.113 11.460 -0.453 1.00 0.00 C ATOM 517 C SER A 34 15.657 12.021 0.859 1.00 0.00 C ATOM 518 O SER A 34 14.968 12.764 1.565 1.00 0.00 O ATOM 519 CB SER A 34 15.681 12.150 -1.693 1.00 0.00 C ATOM 520 OG SER A 34 15.697 13.564 -1.621 1.00 0.00 O ATOM 0 H SER A 34 13.279 12.451 -0.413 1.00 0.00 H new ATOM 0 HA SER A 34 15.444 10.425 -0.538 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.699 11.795 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.095 11.849 -2.561 1.00 0.00 H new ATOM 0 HG SER A 34 14.868 13.920 -2.004 1.00 0.00 H new ATOM 526 N CYS A 35 16.887 11.647 1.201 1.00 0.00 N ATOM 527 CA CYS A 35 17.564 11.996 2.429 1.00 0.00 C ATOM 528 C CYS A 35 19.061 12.011 2.126 1.00 0.00 C ATOM 529 O CYS A 35 19.494 11.806 0.986 1.00 0.00 O ATOM 530 CB CYS A 35 17.224 10.945 3.503 1.00 0.00 C ATOM 531 SG CYS A 35 15.621 11.317 4.265 1.00 0.00 S ATOM 0 H CYS A 35 17.460 11.063 0.592 1.00 0.00 H new ATOM 0 HA CYS A 35 17.254 12.971 2.804 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.199 9.952 3.054 1.00 0.00 H new ATOM 0 HB3 CYS A 35 18.002 10.930 4.266 1.00 0.00 H new ATOM 0 HG CYS A 35 14.899 12.014 3.439 1.00 0.00 H new ATOM 537 N GLY A 36 19.877 12.230 3.145 1.00 0.00 N ATOM 538 CA GLY A 36 21.308 12.052 3.046 1.00 0.00 C ATOM 539 C GLY A 36 21.863 11.707 4.411 1.00 0.00 C ATOM 540 O GLY A 36 21.184 11.925 5.420 1.00 0.00 O ATOM 0 H GLY A 36 19.560 12.537 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.539 11.259 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.774 12.963 2.670 1.00 0.00 H new ATOM 544 N LEU A 37 23.089 11.176 4.430 1.00 0.00 N ATOM 545 CA LEU A 37 23.814 10.888 5.673 1.00 0.00 C ATOM 546 C LEU A 37 23.869 12.138 6.557 1.00 0.00 C ATOM 547 O LEU A 37 23.779 12.046 7.781 1.00 0.00 O ATOM 548 CB LEU A 37 25.239 10.382 5.388 1.00 0.00 C ATOM 549 CG LEU A 37 25.343 9.115 4.517 1.00 0.00 C ATOM 550 CD1 LEU A 37 26.808 8.673 4.440 1.00 0.00 C ATOM 551 CD2 LEU A 37 24.496 7.951 5.041 1.00 0.00 C ATOM 0 H LEU A 37 23.607 10.934 3.586 1.00 0.00 H new ATOM 0 HA LEU A 37 23.274 10.100 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.797 11.181 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.731 10.186 6.341 1.00 0.00 H new ATOM 0 HG LEU A 37 24.957 9.375 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.886 7.777 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 37 27.406 9.470 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 37 27.176 8.457 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 37 24.614 7.090 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.823 7.687 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.447 8.247 5.067 1.00 0.00 H new ATOM 563 N GLU A 38 23.970 13.302 5.914 1.00 0.00 N ATOM 564 CA GLU A 38 23.822 14.629 6.480 1.00 0.00 C ATOM 565 C GLU A 38 23.087 15.431 5.401 1.00 0.00 C ATOM 566 O GLU A 38 23.280 15.188 4.201 1.00 0.00 O ATOM 567 CB GLU A 38 25.189 15.266 6.788 1.00 0.00 C ATOM 568 CG GLU A 38 25.942 14.573 7.933 1.00 0.00 C ATOM 569 CD GLU A 38 27.236 15.324 8.293 1.00 0.00 C ATOM 570 OE1 GLU A 38 28.301 15.040 7.697 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.211 16.194 9.194 1.00 0.00 O ATOM 0 H GLU A 38 24.172 13.337 4.915 1.00 0.00 H new ATOM 0 HA GLU A 38 23.282 14.605 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.805 15.238 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.043 16.316 7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.298 14.514 8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.182 13.550 7.645 1.00 0.00 H new ATOM 578 N SER A 39 22.226 16.362 5.806 1.00 0.00 N ATOM 579 CA SER A 39 21.561 17.266 4.882 1.00 0.00 C ATOM 580 C SER A 39 22.532 18.356 4.406 1.00 0.00 C ATOM 581 O SER A 39 23.382 18.830 5.167 1.00 0.00 O ATOM 582 CB SER A 39 20.328 17.881 5.561 1.00 0.00 C ATOM 583 OG SER A 39 20.547 18.134 6.943 1.00 0.00 O ATOM 0 H SER A 39 21.973 16.508 6.783 1.00 0.00 H new ATOM 0 HA SER A 39 21.233 16.708 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.066 18.813 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.478 17.208 5.447 1.00 0.00 H new ATOM 0 HG SER A 39 19.739 18.526 7.336 1.00 0.00 H new ATOM 589 N SER A 40 22.333 18.786 3.160 1.00 0.00 N ATOM 590 CA SER A 40 22.955 19.936 2.516 1.00 0.00 C ATOM 591 C SER A 40 21.931 20.436 1.490 1.00 0.00 C ATOM 592 O SER A 40 21.135 19.636 0.989 1.00 0.00 O ATOM 593 CB SER A 40 24.262 19.513 1.830 1.00 0.00 C ATOM 594 OG SER A 40 25.260 19.150 2.769 1.00 0.00 O ATOM 0 H SER A 40 21.688 18.305 2.533 1.00 0.00 H new ATOM 0 HA SER A 40 23.213 20.718 3.230 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.067 18.672 1.165 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.628 20.332 1.210 1.00 0.00 H new ATOM 0 HG SER A 40 24.873 19.138 3.669 1.00 0.00 H new ATOM 600 N ARG A 41 21.903 21.744 1.206 1.00 0.00 N ATOM 601 CA ARG A 41 20.877 22.377 0.371 1.00 0.00 C ATOM 602 C ARG A 41 20.810 21.754 -1.023 1.00 0.00 C ATOM 603 O ARG A 41 21.799 21.202 -1.504 1.00 0.00 O ATOM 604 CB ARG A 41 21.044 23.915 0.343 1.00 0.00 C ATOM 605 CG ARG A 41 22.452 24.521 0.191 1.00 0.00 C ATOM 606 CD ARG A 41 23.132 24.200 -1.142 1.00 0.00 C ATOM 607 NE ARG A 41 22.338 24.632 -2.305 1.00 0.00 N ATOM 608 CZ ARG A 41 22.285 25.847 -2.859 1.00 0.00 C ATOM 609 NH1 ARG A 41 23.051 26.841 -2.420 1.00 0.00 N ATOM 610 NH2 ARG A 41 21.437 26.038 -3.864 1.00 0.00 N ATOM 0 H ARG A 41 22.602 22.400 1.555 1.00 0.00 H new ATOM 0 HA ARG A 41 19.908 22.181 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.434 24.295 -0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.617 24.307 1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.383 25.603 0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.081 24.158 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.108 24.685 -1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.308 23.126 -1.206 1.00 0.00 H new ATOM 0 HE ARG A 41 21.757 23.916 -2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.696 26.684 -1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 41 22.994 27.760 -2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 41 20.851 25.269 -4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 41 21.372 26.953 -4.309 1.00 0.00 H new ATOM 624 N VAL A 42 19.658 21.861 -1.683 1.00 0.00 N ATOM 625 CA VAL A 42 19.475 21.322 -3.032 1.00 0.00 C ATOM 626 C VAL A 42 20.387 22.109 -3.968 1.00 0.00 C ATOM 627 O VAL A 42 20.419 23.343 -3.918 1.00 0.00 O ATOM 628 CB VAL A 42 18.003 21.377 -3.495 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.843 20.618 -4.828 1.00 0.00 C ATOM 630 CG2 VAL A 42 17.060 20.778 -2.440 1.00 0.00 C ATOM 0 H VAL A 42 18.830 22.320 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 42 19.740 20.265 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 42 17.734 22.424 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.802 20.661 -5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.476 21.078 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.138 19.578 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.032 20.833 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.327 19.736 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.151 21.339 -1.510 1.00 0.00 H new ATOM 640 N HIS A 43 21.157 21.411 -4.795 1.00 0.00 N ATOM 641 CA HIS A 43 22.065 22.045 -5.733 1.00 0.00 C ATOM 642 C HIS A 43 21.248 22.654 -6.885 1.00 0.00 C ATOM 643 O HIS A 43 20.313 22.005 -7.353 1.00 0.00 O ATOM 644 CB HIS A 43 23.069 20.990 -6.202 1.00 0.00 C ATOM 645 CG HIS A 43 24.327 21.615 -6.734 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.664 21.764 -8.054 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.310 22.219 -5.996 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.837 22.415 -8.115 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.274 22.716 -6.881 1.00 0.00 N ATOM 0 H HIS A 43 21.167 20.392 -4.831 1.00 0.00 H new ATOM 0 HA HIS A 43 22.624 22.861 -5.276 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.315 20.328 -5.372 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.613 20.374 -6.977 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.337 22.298 -4.919 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.357 22.662 -9.029 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.134 23.207 -6.638 1.00 0.00 H new ATOM 657 N PRO A 44 21.563 23.863 -7.386 1.00 0.00 N ATOM 658 CA PRO A 44 20.684 24.568 -8.316 1.00 0.00 C ATOM 659 C PRO A 44 20.694 23.950 -9.711 1.00 0.00 C ATOM 660 O PRO A 44 19.654 23.865 -10.359 1.00 0.00 O ATOM 661 CB PRO A 44 21.184 26.015 -8.311 1.00 0.00 C ATOM 662 CG PRO A 44 22.677 25.886 -8.002 1.00 0.00 C ATOM 663 CD PRO A 44 22.777 24.627 -7.137 1.00 0.00 C ATOM 0 HA PRO A 44 19.640 24.504 -8.009 1.00 0.00 H new ATOM 0 HB2 PRO A 44 21.015 26.500 -9.273 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.670 26.613 -7.558 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.265 25.789 -8.915 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.051 26.763 -7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.662 24.046 -7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.864 24.886 -6.082 1.00 0.00 H new ATOM 671 N THR A 45 21.835 23.452 -10.176 1.00 0.00 N ATOM 672 CA THR A 45 21.944 22.859 -11.502 1.00 0.00 C ATOM 673 C THR A 45 21.154 21.542 -11.610 1.00 0.00 C ATOM 674 O THR A 45 20.780 21.125 -12.709 1.00 0.00 O ATOM 675 CB THR A 45 23.444 22.678 -11.785 1.00 0.00 C ATOM 676 OG1 THR A 45 24.180 23.822 -11.375 1.00 0.00 O ATOM 677 CG2 THR A 45 23.796 22.332 -13.229 1.00 0.00 C ATOM 0 H THR A 45 22.706 23.448 -9.646 1.00 0.00 H new ATOM 0 HA THR A 45 21.499 23.509 -12.255 1.00 0.00 H new ATOM 0 HB THR A 45 23.728 21.808 -11.193 1.00 0.00 H new ATOM 0 HG1 THR A 45 25.132 23.683 -11.563 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.877 22.225 -13.325 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.313 21.395 -13.507 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.450 23.128 -13.889 1.00 0.00 H new ATOM 685 N ALA A 46 20.817 20.923 -10.470 1.00 0.00 N ATOM 686 CA ALA A 46 19.911 19.785 -10.426 1.00 0.00 C ATOM 687 C ALA A 46 18.581 20.148 -11.068 1.00 0.00 C ATOM 688 O ALA A 46 18.015 19.352 -11.817 1.00 0.00 O ATOM 689 CB ALA A 46 19.652 19.412 -8.968 1.00 0.00 C ATOM 0 H ALA A 46 21.170 21.204 -9.555 1.00 0.00 H new ATOM 0 HA ALA A 46 20.363 18.952 -10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.974 18.560 -8.925 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.594 19.150 -8.486 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.203 20.259 -8.450 1.00 0.00 H new ATOM 695 N ILE A 47 18.084 21.359 -10.792 1.00 0.00 N ATOM 696 CA ILE A 47 16.819 21.786 -11.315 1.00 0.00 C ATOM 697 C ILE A 47 16.908 21.829 -12.835 1.00 0.00 C ATOM 698 O ILE A 47 15.986 21.370 -13.497 1.00 0.00 O ATOM 699 CB ILE A 47 16.439 23.136 -10.683 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.124 22.930 -9.191 1.00 0.00 C ATOM 701 CG2 ILE A 47 15.225 23.744 -11.381 1.00 0.00 C ATOM 702 CD1 ILE A 47 17.232 23.407 -8.258 1.00 0.00 C ATOM 0 H ILE A 47 18.554 22.049 -10.206 1.00 0.00 H new ATOM 0 HA ILE A 47 16.022 21.087 -11.060 1.00 0.00 H new ATOM 0 HB ILE A 47 17.280 23.821 -10.796 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.203 23.459 -8.947 1.00 0.00 H new ATOM 0 HG13 ILE A 47 15.940 21.871 -9.011 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.977 24.698 -10.915 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.453 23.903 -12.435 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.377 23.065 -11.292 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.938 23.229 -7.224 1.00 0.00 H new ATOM 0 HD12 ILE A 47 18.150 22.860 -8.474 1.00 0.00 H new ATOM 0 HD13 ILE A 47 17.401 24.473 -8.409 1.00 0.00 H new ATOM 714 N ALA A 48 18.021 22.317 -13.392 1.00 0.00 N ATOM 715 CA ALA A 48 18.178 22.442 -14.828 1.00 0.00 C ATOM 716 C ALA A 48 18.105 21.088 -15.533 1.00 0.00 C ATOM 717 O ALA A 48 17.520 20.997 -16.607 1.00 0.00 O ATOM 718 CB ALA A 48 19.480 23.167 -15.169 1.00 0.00 C ATOM 0 H ALA A 48 18.829 22.632 -12.856 1.00 0.00 H new ATOM 0 HA ALA A 48 17.343 23.039 -15.195 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.578 23.250 -16.251 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.467 24.164 -14.728 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.325 22.605 -14.771 1.00 0.00 H new ATOM 724 N MET A 49 18.648 20.031 -14.924 1.00 0.00 N ATOM 725 CA MET A 49 18.549 18.677 -15.476 1.00 0.00 C ATOM 726 C MET A 49 17.097 18.211 -15.556 1.00 0.00 C ATOM 727 O MET A 49 16.619 17.674 -16.567 1.00 0.00 O ATOM 728 CB MET A 49 19.343 17.704 -14.593 1.00 0.00 C ATOM 729 CG MET A 49 20.835 17.815 -14.854 1.00 0.00 C ATOM 730 SD MET A 49 21.281 17.446 -16.577 1.00 0.00 S ATOM 731 CE MET A 49 22.160 18.957 -17.086 1.00 0.00 C ATOM 0 H MET A 49 19.163 20.087 -14.045 1.00 0.00 H new ATOM 0 HA MET A 49 18.960 18.694 -16.485 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.139 17.913 -13.543 1.00 0.00 H new ATOM 0 HB3 MET A 49 19.013 16.683 -14.785 1.00 0.00 H new ATOM 0 HG2 MET A 49 21.168 18.823 -14.606 1.00 0.00 H new ATOM 0 HG3 MET A 49 21.366 17.131 -14.192 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.949 19.165 -18.135 1.00 0.00 H new ATOM 0 HE2 MET A 49 21.826 19.796 -16.475 1.00 0.00 H new ATOM 0 HE3 MET A 49 23.233 18.816 -16.953 1.00 0.00 H new ATOM 741 N MET A 50 16.390 18.409 -14.456 1.00 0.00 N ATOM 742 CA MET A 50 15.012 17.993 -14.340 1.00 0.00 C ATOM 743 C MET A 50 14.149 18.839 -15.262 1.00 0.00 C ATOM 744 O MET A 50 13.248 18.296 -15.891 1.00 0.00 O ATOM 745 CB MET A 50 14.606 18.049 -12.867 1.00 0.00 C ATOM 746 CG MET A 50 15.469 17.025 -12.108 1.00 0.00 C ATOM 747 SD MET A 50 14.632 16.155 -10.768 1.00 0.00 S ATOM 748 CE MET A 50 13.403 15.232 -11.692 1.00 0.00 C ATOM 0 H MET A 50 16.760 18.863 -13.621 1.00 0.00 H new ATOM 0 HA MET A 50 14.870 16.962 -14.664 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.758 19.051 -12.465 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.547 17.817 -12.752 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.841 16.289 -12.821 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.338 17.540 -11.698 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.421 15.383 -11.243 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.388 15.580 -12.725 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.652 14.171 -11.670 1.00 0.00 H new ATOM 758 N GLU A 51 14.486 20.112 -15.455 1.00 0.00 N ATOM 759 CA GLU A 51 13.836 20.991 -16.411 1.00 0.00 C ATOM 760 C GLU A 51 14.028 20.486 -17.841 1.00 0.00 C ATOM 761 O GLU A 51 13.146 20.697 -18.674 1.00 0.00 O ATOM 762 CB GLU A 51 14.391 22.413 -16.254 1.00 0.00 C ATOM 763 CG GLU A 51 13.758 23.194 -15.090 1.00 0.00 C ATOM 764 CD GLU A 51 12.428 23.879 -15.465 1.00 0.00 C ATOM 765 OE1 GLU A 51 11.540 23.252 -16.084 1.00 0.00 O ATOM 766 OE2 GLU A 51 12.257 25.077 -15.140 1.00 0.00 O ATOM 0 H GLU A 51 15.237 20.567 -14.936 1.00 0.00 H new ATOM 0 HA GLU A 51 12.765 21.001 -16.211 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.469 22.359 -16.101 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.228 22.963 -17.181 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.585 22.513 -14.256 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.463 23.950 -14.743 1.00 0.00 H new ATOM 773 N GLU A 52 15.127 19.778 -18.133 1.00 0.00 N ATOM 774 CA GLU A 52 15.296 19.137 -19.432 1.00 0.00 C ATOM 775 C GLU A 52 14.253 18.038 -19.616 1.00 0.00 C ATOM 776 O GLU A 52 13.717 17.872 -20.714 1.00 0.00 O ATOM 777 CB GLU A 52 16.688 18.526 -19.655 1.00 0.00 C ATOM 778 CG GLU A 52 17.860 19.467 -19.353 1.00 0.00 C ATOM 779 CD GLU A 52 19.060 19.221 -20.279 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.851 18.278 -20.041 1.00 0.00 O ATOM 781 OE2 GLU A 52 19.231 19.980 -21.258 1.00 0.00 O ATOM 0 H GLU A 52 15.905 19.638 -17.488 1.00 0.00 H new ATOM 0 HA GLU A 52 15.171 19.933 -20.166 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.784 17.638 -19.030 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.763 18.197 -20.691 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.529 20.500 -19.458 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.171 19.335 -18.317 1.00 0.00 H new ATOM 788 N VAL A 53 13.958 17.297 -18.544 1.00 0.00 N ATOM 789 CA VAL A 53 12.946 16.235 -18.607 1.00 0.00 C ATOM 790 C VAL A 53 11.524 16.829 -18.547 1.00 0.00 C ATOM 791 O VAL A 53 10.585 16.230 -19.076 1.00 0.00 O ATOM 792 CB VAL A 53 13.231 15.176 -17.522 1.00 0.00 C ATOM 793 CG1 VAL A 53 12.254 13.991 -17.556 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.647 14.604 -17.716 1.00 0.00 C ATOM 0 H VAL A 53 14.399 17.410 -17.631 1.00 0.00 H new ATOM 0 HA VAL A 53 13.005 15.720 -19.566 1.00 0.00 H new ATOM 0 HB VAL A 53 13.120 15.688 -16.566 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.512 13.284 -16.767 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.238 14.353 -17.401 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.319 13.494 -18.524 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.846 13.856 -16.948 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.721 14.142 -18.700 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.378 15.408 -17.637 1.00 0.00 H new ATOM 804 N GLY A 54 11.359 18.018 -17.960 1.00 0.00 N ATOM 805 CA GLY A 54 10.081 18.707 -17.800 1.00 0.00 C ATOM 806 C GLY A 54 9.588 18.670 -16.350 1.00 0.00 C ATOM 807 O GLY A 54 8.379 18.719 -16.117 1.00 0.00 O ATOM 0 H GLY A 54 12.141 18.544 -17.570 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.185 19.743 -18.121 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.336 18.245 -18.448 1.00 0.00 H new ATOM 811 N ILE A 55 10.502 18.540 -15.384 1.00 0.00 N ATOM 812 CA ILE A 55 10.219 18.448 -13.949 1.00 0.00 C ATOM 813 C ILE A 55 11.018 19.573 -13.248 1.00 0.00 C ATOM 814 O ILE A 55 11.775 20.299 -13.892 1.00 0.00 O ATOM 815 CB ILE A 55 10.549 17.010 -13.459 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.874 15.893 -14.301 1.00 0.00 C ATOM 817 CG2 ILE A 55 10.157 16.770 -11.985 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.731 14.626 -14.313 1.00 0.00 C ATOM 0 H ILE A 55 11.500 18.494 -15.589 1.00 0.00 H new ATOM 0 HA ILE A 55 9.167 18.602 -13.708 1.00 0.00 H new ATOM 0 HB ILE A 55 11.631 16.950 -13.576 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.890 15.667 -13.891 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.721 16.243 -15.322 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.412 15.749 -11.702 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.697 17.469 -11.346 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.084 16.923 -11.864 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.237 13.858 -14.909 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.706 14.850 -14.746 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.861 14.265 -13.293 1.00 0.00 H new ATOM 830 N ASP A 56 10.860 19.747 -11.936 1.00 0.00 N ATOM 831 CA ASP A 56 11.509 20.785 -11.131 1.00 0.00 C ATOM 832 C ASP A 56 11.916 20.192 -9.781 1.00 0.00 C ATOM 833 O ASP A 56 11.319 19.206 -9.342 1.00 0.00 O ATOM 834 CB ASP A 56 10.526 21.942 -10.894 1.00 0.00 C ATOM 835 CG ASP A 56 11.061 22.936 -9.852 1.00 0.00 C ATOM 836 OD1 ASP A 56 12.176 23.463 -10.054 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.412 23.115 -8.798 1.00 0.00 O ATOM 0 H ASP A 56 10.252 19.145 -11.381 1.00 0.00 H new ATOM 0 HA ASP A 56 12.389 21.155 -11.656 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.343 22.463 -11.834 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.568 21.543 -10.559 1.00 0.00 H new ATOM 842 N ILE A 57 12.889 20.817 -9.108 1.00 0.00 N ATOM 843 CA ILE A 57 13.256 20.487 -7.735 1.00 0.00 C ATOM 844 C ILE A 57 13.313 21.720 -6.821 1.00 0.00 C ATOM 845 O ILE A 57 13.212 21.549 -5.610 1.00 0.00 O ATOM 846 CB ILE A 57 14.562 19.672 -7.649 1.00 0.00 C ATOM 847 CG1 ILE A 57 14.985 18.898 -8.910 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.434 18.687 -6.479 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.357 18.252 -8.702 1.00 0.00 C ATOM 0 H ILE A 57 13.446 21.572 -9.509 1.00 0.00 H new ATOM 0 HA ILE A 57 12.452 19.851 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 57 15.350 20.413 -7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.245 18.131 -9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.019 19.573 -9.765 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.347 18.098 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.275 19.240 -5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.588 18.022 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.643 17.708 -9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.096 19.026 -8.495 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.310 17.561 -7.860 1.00 0.00 H new ATOM 861 N SER A 58 13.412 22.947 -7.345 1.00 0.00 N ATOM 862 CA SER A 58 13.382 24.171 -6.537 1.00 0.00 C ATOM 863 C SER A 58 12.167 24.215 -5.587 1.00 0.00 C ATOM 864 O SER A 58 12.245 24.812 -4.511 1.00 0.00 O ATOM 865 CB SER A 58 13.338 25.426 -7.423 1.00 0.00 C ATOM 866 OG SER A 58 14.567 25.657 -8.084 1.00 0.00 O ATOM 0 H SER A 58 13.516 23.119 -8.345 1.00 0.00 H new ATOM 0 HA SER A 58 14.299 24.159 -5.948 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.544 25.319 -8.162 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.088 26.292 -6.811 1.00 0.00 H new ATOM 0 HG SER A 58 14.495 26.463 -8.637 1.00 0.00 H new ATOM 872 N GLY A 59 11.048 23.592 -5.977 1.00 0.00 N ATOM 873 CA GLY A 59 9.811 23.546 -5.209 1.00 0.00 C ATOM 874 C GLY A 59 9.887 22.671 -3.951 1.00 0.00 C ATOM 875 O GLY A 59 8.981 22.751 -3.119 1.00 0.00 O ATOM 0 H GLY A 59 10.983 23.093 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.539 24.560 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.012 23.174 -5.850 1.00 0.00 H new ATOM 879 N GLN A 60 10.939 21.862 -3.783 1.00 0.00 N ATOM 880 CA GLN A 60 11.182 21.028 -2.620 1.00 0.00 C ATOM 881 C GLN A 60 12.553 21.335 -2.004 1.00 0.00 C ATOM 882 O GLN A 60 13.377 22.037 -2.595 1.00 0.00 O ATOM 883 CB GLN A 60 10.988 19.548 -2.995 1.00 0.00 C ATOM 884 CG GLN A 60 12.031 18.938 -3.951 1.00 0.00 C ATOM 885 CD GLN A 60 11.950 17.406 -4.024 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.886 16.800 -3.909 1.00 0.00 O ATOM 887 NE2 GLN A 60 13.080 16.745 -4.204 1.00 0.00 N ATOM 0 H GLN A 60 11.670 21.773 -4.489 1.00 0.00 H new ATOM 0 HA GLN A 60 10.455 21.255 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.983 18.961 -2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.003 19.437 -3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.888 19.352 -4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.030 19.229 -3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.959 17.254 -4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.073 15.726 -4.248 1.00 0.00 H new ATOM 896 N THR A 61 12.795 20.809 -0.805 1.00 0.00 N ATOM 897 CA THR A 61 13.979 21.093 -0.004 1.00 0.00 C ATOM 898 C THR A 61 14.677 19.796 0.416 1.00 0.00 C ATOM 899 O THR A 61 14.172 18.690 0.185 1.00 0.00 O ATOM 900 CB THR A 61 13.564 21.960 1.202 1.00 0.00 C ATOM 901 OG1 THR A 61 12.437 21.421 1.878 1.00 0.00 O ATOM 902 CG2 THR A 61 13.176 23.361 0.730 1.00 0.00 C ATOM 0 H THR A 61 12.154 20.156 -0.354 1.00 0.00 H new ATOM 0 HA THR A 61 14.707 21.651 -0.593 1.00 0.00 H new ATOM 0 HB THR A 61 14.419 21.987 1.878 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.205 21.996 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.884 23.966 1.588 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.026 23.825 0.231 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.340 23.292 0.034 1.00 0.00 H new ATOM 910 N SER A 62 15.859 19.940 1.012 1.00 0.00 N ATOM 911 CA SER A 62 16.652 18.824 1.498 1.00 0.00 C ATOM 912 C SER A 62 16.112 18.262 2.817 1.00 0.00 C ATOM 913 O SER A 62 15.330 18.920 3.511 1.00 0.00 O ATOM 914 CB SER A 62 18.101 19.276 1.656 1.00 0.00 C ATOM 915 OG SER A 62 18.564 19.875 0.465 1.00 0.00 O ATOM 0 H SER A 62 16.294 20.849 1.171 1.00 0.00 H new ATOM 0 HA SER A 62 16.593 18.016 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.179 19.984 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.729 18.422 1.909 1.00 0.00 H new ATOM 0 HG SER A 62 19.524 19.703 0.364 1.00 0.00 H new ATOM 921 N ASP A 63 16.565 17.063 3.191 1.00 0.00 N ATOM 922 CA ASP A 63 16.208 16.400 4.446 1.00 0.00 C ATOM 923 C ASP A 63 17.357 15.470 4.856 1.00 0.00 C ATOM 924 O ASP A 63 17.977 14.868 3.973 1.00 0.00 O ATOM 925 CB ASP A 63 14.922 15.571 4.260 1.00 0.00 C ATOM 926 CG ASP A 63 13.729 16.205 4.985 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.733 16.215 6.235 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.772 16.657 4.316 1.00 0.00 O ATOM 0 H ASP A 63 17.205 16.514 2.616 1.00 0.00 H new ATOM 0 HA ASP A 63 16.036 17.150 5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.697 15.482 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.082 14.561 4.637 1.00 0.00 H new ATOM 933 N PRO A 64 17.681 15.335 6.154 1.00 0.00 N ATOM 934 CA PRO A 64 18.606 14.319 6.637 1.00 0.00 C ATOM 935 C PRO A 64 17.861 12.999 6.877 1.00 0.00 C ATOM 936 O PRO A 64 16.678 12.991 7.230 1.00 0.00 O ATOM 937 CB PRO A 64 19.150 14.886 7.951 1.00 0.00 C ATOM 938 CG PRO A 64 17.964 15.675 8.508 1.00 0.00 C ATOM 939 CD PRO A 64 17.235 16.177 7.257 1.00 0.00 C ATOM 0 HA PRO A 64 19.403 14.103 5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.463 14.095 8.632 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.017 15.525 7.785 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.318 15.046 9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.294 16.502 9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 64 16.155 16.110 7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.469 17.224 7.065 1.00 0.00 H new ATOM 947 N ILE A 65 18.588 11.883 6.776 1.00 0.00 N ATOM 948 CA ILE A 65 18.077 10.550 7.113 1.00 0.00 C ATOM 949 C ILE A 65 17.508 10.519 8.542 1.00 0.00 C ATOM 950 O ILE A 65 16.508 9.852 8.811 1.00 0.00 O ATOM 951 CB ILE A 65 19.175 9.501 6.850 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.557 8.093 6.947 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.414 9.653 7.756 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.440 7.029 6.303 1.00 0.00 C ATOM 0 H ILE A 65 19.556 11.878 6.455 1.00 0.00 H new ATOM 0 HA ILE A 65 17.235 10.297 6.469 1.00 0.00 H new ATOM 0 HB ILE A 65 19.556 9.666 5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.394 7.841 7.995 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.580 8.093 6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.141 8.879 7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.861 10.634 7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.116 9.553 8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.962 6.054 6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.582 7.264 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.408 7.008 6.803 1.00 0.00 H new ATOM 966 N GLU A 66 18.114 11.308 9.434 1.00 0.00 N ATOM 967 CA GLU A 66 17.774 11.439 10.844 1.00 0.00 C ATOM 968 C GLU A 66 16.306 11.833 11.065 1.00 0.00 C ATOM 969 O GLU A 66 15.749 11.536 12.124 1.00 0.00 O ATOM 970 CB GLU A 66 18.694 12.497 11.479 1.00 0.00 C ATOM 971 CG GLU A 66 20.180 12.105 11.455 1.00 0.00 C ATOM 972 CD GLU A 66 20.515 11.008 12.484 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.831 11.339 13.650 1.00 0.00 O ATOM 974 OE2 GLU A 66 20.485 9.807 12.136 1.00 0.00 O ATOM 0 H GLU A 66 18.899 11.904 9.171 1.00 0.00 H new ATOM 0 HA GLU A 66 17.916 10.466 11.313 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.566 13.443 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.386 12.663 12.511 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.445 11.756 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.789 12.986 11.656 1.00 0.00 H new ATOM 981 N ASN A 67 15.674 12.511 10.096 1.00 0.00 N ATOM 982 CA ASN A 67 14.314 13.022 10.238 1.00 0.00 C ATOM 983 C ASN A 67 13.247 11.941 9.987 1.00 0.00 C ATOM 984 O ASN A 67 12.060 12.203 10.185 1.00 0.00 O ATOM 985 CB ASN A 67 14.135 14.229 9.305 1.00 0.00 C ATOM 986 CG ASN A 67 12.856 15.019 9.577 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.359 15.099 10.698 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.324 15.672 8.562 1.00 0.00 N ATOM 0 H ASN A 67 16.098 12.718 9.192 1.00 0.00 H new ATOM 0 HA ASN A 67 14.169 13.339 11.271 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.993 14.892 9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.127 13.882 8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.495 16.248 8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.742 15.601 7.634 1.00 0.00 H new ATOM 995 N PHE A 68 13.631 10.726 9.571 1.00 0.00 N ATOM 996 CA PHE A 68 12.711 9.651 9.228 1.00 0.00 C ATOM 997 C PHE A 68 13.095 8.347 9.935 1.00 0.00 C ATOM 998 O PHE A 68 14.031 8.295 10.735 1.00 0.00 O ATOM 999 CB PHE A 68 12.699 9.487 7.703 1.00 0.00 C ATOM 1000 CG PHE A 68 12.136 10.676 6.957 1.00 0.00 C ATOM 1001 CD1 PHE A 68 12.976 11.739 6.577 1.00 0.00 C ATOM 1002 CD2 PHE A 68 10.762 10.724 6.660 1.00 0.00 C ATOM 1003 CE1 PHE A 68 12.433 12.860 5.928 1.00 0.00 C ATOM 1004 CE2 PHE A 68 10.220 11.852 6.016 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.056 12.924 5.656 1.00 0.00 C ATOM 0 H PHE A 68 14.611 10.465 9.464 1.00 0.00 H new ATOM 0 HA PHE A 68 11.707 9.903 9.569 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.718 9.306 7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.115 8.603 7.448 1.00 0.00 H new ATOM 0 HD1 PHE A 68 14.035 11.693 6.784 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.123 9.895 6.926 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.077 13.677 5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.163 11.894 5.798 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.640 13.795 5.171 1.00 0.00 H new ATOM 1015 N ASN A 69 12.346 7.286 9.625 1.00 0.00 N ATOM 1016 CA ASN A 69 12.465 5.947 10.183 1.00 0.00 C ATOM 1017 C ASN A 69 12.346 4.939 9.045 1.00 0.00 C ATOM 1018 O ASN A 69 11.408 4.995 8.248 1.00 0.00 O ATOM 1019 CB ASN A 69 11.389 5.673 11.259 1.00 0.00 C ATOM 1020 CG ASN A 69 10.003 6.275 11.004 1.00 0.00 C ATOM 1021 OD1 ASN A 69 9.383 6.817 11.915 1.00 0.00 O ATOM 1022 ND2 ASN A 69 9.487 6.229 9.787 1.00 0.00 N ATOM 0 H ASN A 69 11.597 7.348 8.936 1.00 0.00 H new ATOM 0 HA ASN A 69 13.434 5.854 10.674 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.279 4.594 11.365 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.756 6.051 12.213 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.573 6.644 9.604 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.003 5.779 9.031 1.00 0.00 H new ATOM 1029 N ALA A 70 13.281 3.996 9.003 1.00 0.00 N ATOM 1030 CA ALA A 70 13.395 2.991 7.956 1.00 0.00 C ATOM 1031 C ALA A 70 12.154 2.115 7.827 1.00 0.00 C ATOM 1032 O ALA A 70 11.864 1.639 6.734 1.00 0.00 O ATOM 1033 CB ALA A 70 14.589 2.084 8.268 1.00 0.00 C ATOM 0 H ALA A 70 14.002 3.909 9.719 1.00 0.00 H new ATOM 0 HA ALA A 70 13.522 3.526 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.684 1.327 7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.500 2.682 8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.434 1.597 9.231 1.00 0.00 H new ATOM 1039 N ASP A 71 11.426 1.905 8.928 1.00 0.00 N ATOM 1040 CA ASP A 71 10.257 1.027 8.980 1.00 0.00 C ATOM 1041 C ASP A 71 9.150 1.474 8.020 1.00 0.00 C ATOM 1042 O ASP A 71 8.311 0.666 7.621 1.00 0.00 O ATOM 1043 CB ASP A 71 9.724 0.982 10.417 1.00 0.00 C ATOM 1044 CG ASP A 71 8.493 0.068 10.545 1.00 0.00 C ATOM 1045 OD1 ASP A 71 8.640 -1.170 10.442 1.00 0.00 O ATOM 1046 OD2 ASP A 71 7.379 0.578 10.806 1.00 0.00 O ATOM 0 H ASP A 71 11.637 2.348 9.822 1.00 0.00 H new ATOM 0 HA ASP A 71 10.570 0.032 8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.510 0.628 11.084 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.463 1.990 10.739 1.00 0.00 H new ATOM 1051 N ASP A 72 9.148 2.753 7.629 1.00 0.00 N ATOM 1052 CA ASP A 72 8.136 3.324 6.765 1.00 0.00 C ATOM 1053 C ASP A 72 8.480 3.085 5.296 1.00 0.00 C ATOM 1054 O ASP A 72 7.605 3.217 4.450 1.00 0.00 O ATOM 1055 CB ASP A 72 7.984 4.818 7.070 1.00 0.00 C ATOM 1056 CG ASP A 72 6.786 5.456 6.353 1.00 0.00 C ATOM 1057 OD1 ASP A 72 5.655 4.928 6.447 1.00 0.00 O ATOM 1058 OD2 ASP A 72 6.942 6.553 5.771 1.00 0.00 O ATOM 0 H ASP A 72 9.864 3.421 7.914 1.00 0.00 H new ATOM 0 HA ASP A 72 7.182 2.833 6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.872 4.954 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.896 5.338 6.776 1.00 0.00 H new ATOM 1063 N TYR A 73 9.721 2.697 4.978 1.00 0.00 N ATOM 1064 CA TYR A 73 10.236 2.592 3.632 1.00 0.00 C ATOM 1065 C TYR A 73 10.425 1.130 3.252 1.00 0.00 C ATOM 1066 O TYR A 73 10.904 0.327 4.048 1.00 0.00 O ATOM 1067 CB TYR A 73 11.525 3.411 3.510 1.00 0.00 C ATOM 1068 CG TYR A 73 11.257 4.894 3.672 1.00 0.00 C ATOM 1069 CD1 TYR A 73 10.795 5.639 2.573 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.391 5.511 4.931 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.440 6.986 2.735 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.073 6.870 5.100 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.569 7.606 3.999 1.00 0.00 C ATOM 1074 OH TYR A 73 10.218 8.909 4.151 1.00 0.00 O ATOM 0 H TYR A 73 10.409 2.441 5.686 1.00 0.00 H new ATOM 0 HA TYR A 73 9.519 3.007 2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.238 3.084 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.984 3.227 2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.713 5.173 1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 73 11.741 4.935 5.775 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.068 7.551 1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.211 7.348 6.059 1.00 0.00 H new ATOM 0 HH TYR A 73 10.511 9.226 5.031 1.00 0.00 H new ATOM 1084 N ASP A 74 10.037 0.778 2.028 1.00 0.00 N ATOM 1085 CA ASP A 74 10.139 -0.578 1.512 1.00 0.00 C ATOM 1086 C ASP A 74 11.448 -0.756 0.753 1.00 0.00 C ATOM 1087 O ASP A 74 12.042 -1.828 0.822 1.00 0.00 O ATOM 1088 CB ASP A 74 8.949 -0.900 0.601 1.00 0.00 C ATOM 1089 CG ASP A 74 7.641 -1.009 1.390 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.393 -2.053 2.035 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.861 -0.031 1.358 1.00 0.00 O ATOM 0 H ASP A 74 9.638 1.438 1.361 1.00 0.00 H new ATOM 0 HA ASP A 74 10.124 -1.269 2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.852 -0.124 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.136 -1.837 0.076 1.00 0.00 H new ATOM 1096 N VAL A 75 11.939 0.284 0.073 1.00 0.00 N ATOM 1097 CA VAL A 75 13.134 0.183 -0.759 1.00 0.00 C ATOM 1098 C VAL A 75 14.048 1.366 -0.477 1.00 0.00 C ATOM 1099 O VAL A 75 13.576 2.497 -0.369 1.00 0.00 O ATOM 1100 CB VAL A 75 12.731 -0.010 -2.240 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.453 0.683 -2.719 1.00 0.00 C ATOM 1102 CG2 VAL A 75 13.879 0.256 -3.228 1.00 0.00 C ATOM 0 H VAL A 75 11.519 1.214 0.086 1.00 0.00 H new ATOM 0 HA VAL A 75 13.720 -0.702 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 75 12.487 -1.072 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.293 0.462 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.604 0.321 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.551 1.760 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.525 0.102 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 75 14.225 1.283 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.702 -0.428 -3.022 1.00 0.00 H new ATOM 1112 N VAL A 76 15.352 1.106 -0.353 1.00 0.00 N ATOM 1113 CA VAL A 76 16.331 2.123 0.020 1.00 0.00 C ATOM 1114 C VAL A 76 17.469 2.099 -1.000 1.00 0.00 C ATOM 1115 O VAL A 76 18.215 1.129 -1.149 1.00 0.00 O ATOM 1116 CB VAL A 76 16.797 1.916 1.475 1.00 0.00 C ATOM 1117 CG1 VAL A 76 17.841 2.941 1.933 1.00 0.00 C ATOM 1118 CG2 VAL A 76 15.618 1.898 2.467 1.00 0.00 C ATOM 0 H VAL A 76 15.756 0.183 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 76 15.888 3.119 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 76 17.275 0.937 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 76 18.124 2.736 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.722 2.873 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.420 3.944 1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.996 1.750 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.084 2.847 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.939 1.085 2.210 1.00 0.00 H new ATOM 1128 N ILE A 77 17.597 3.206 -1.713 1.00 0.00 N ATOM 1129 CA ILE A 77 18.584 3.420 -2.739 1.00 0.00 C ATOM 1130 C ILE A 77 19.585 4.397 -2.168 1.00 0.00 C ATOM 1131 O ILE A 77 19.371 5.607 -2.171 1.00 0.00 O ATOM 1132 CB ILE A 77 17.897 3.933 -4.018 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.905 2.905 -4.602 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.932 4.344 -5.070 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.488 1.506 -4.839 1.00 0.00 C ATOM 0 H ILE A 77 16.985 4.011 -1.580 1.00 0.00 H new ATOM 0 HA ILE A 77 19.101 2.504 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 77 17.320 4.814 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 77 16.054 2.818 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.522 3.288 -5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.420 4.702 -5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.562 5.138 -4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.551 3.484 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.716 0.855 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.319 1.572 -5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.844 1.095 -3.894 1.00 0.00 H new ATOM 1147 N SER A 78 20.653 3.878 -1.590 1.00 0.00 N ATOM 1148 CA SER A 78 21.746 4.768 -1.273 1.00 0.00 C ATOM 1149 C SER A 78 22.399 5.164 -2.606 1.00 0.00 C ATOM 1150 O SER A 78 22.221 4.515 -3.642 1.00 0.00 O ATOM 1151 CB SER A 78 22.703 4.120 -0.287 1.00 0.00 C ATOM 1152 OG SER A 78 22.031 4.017 0.950 1.00 0.00 O ATOM 0 H SER A 78 20.783 2.897 -1.342 1.00 0.00 H new ATOM 0 HA SER A 78 21.402 5.671 -0.769 1.00 0.00 H new ATOM 0 HB2 SER A 78 23.009 3.135 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.609 4.717 -0.183 1.00 0.00 H new ATOM 0 HG SER A 78 22.318 4.745 1.540 1.00 0.00 H new ATOM 1158 N LEU A 79 23.089 6.294 -2.604 1.00 0.00 N ATOM 1159 CA LEU A 79 23.823 6.844 -3.732 1.00 0.00 C ATOM 1160 C LEU A 79 24.990 7.622 -3.124 1.00 0.00 C ATOM 1161 O LEU A 79 25.216 8.790 -3.420 1.00 0.00 O ATOM 1162 CB LEU A 79 22.931 7.637 -4.731 1.00 0.00 C ATOM 1163 CG LEU A 79 21.427 7.814 -4.422 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.247 9.006 -3.495 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.616 8.057 -5.699 1.00 0.00 C ATOM 0 H LEU A 79 23.155 6.882 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 79 24.208 6.060 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.363 8.632 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 79 23.011 7.148 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 79 21.067 6.898 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.188 9.137 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.794 8.832 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.630 9.904 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.563 8.177 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.975 8.960 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.732 7.207 -6.371 1.00 0.00 H new ATOM 1177 N CYS A 80 25.680 6.996 -2.168 1.00 0.00 N ATOM 1178 CA CYS A 80 26.853 7.562 -1.522 1.00 0.00 C ATOM 1179 C CYS A 80 28.032 7.532 -2.497 1.00 0.00 C ATOM 1180 O CYS A 80 28.758 8.522 -2.599 1.00 0.00 O ATOM 1181 CB CYS A 80 27.140 6.778 -0.243 1.00 0.00 C ATOM 1182 SG CYS A 80 25.812 7.080 0.963 1.00 0.00 S ATOM 0 H CYS A 80 25.432 6.070 -1.820 1.00 0.00 H new ATOM 0 HA CYS A 80 26.682 8.603 -1.247 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.210 5.713 -0.464 1.00 0.00 H new ATOM 0 HB3 CYS A 80 28.101 7.080 0.174 1.00 0.00 H new ATOM 0 HG CYS A 80 26.054 6.411 2.051 1.00 0.00 H new ATOM 1188 N GLY A 81 28.206 6.439 -3.246 1.00 0.00 N ATOM 1189 CA GLY A 81 29.134 6.364 -4.370 1.00 0.00 C ATOM 1190 C GLY A 81 30.004 5.118 -4.344 1.00 0.00 C ATOM 1191 O GLY A 81 29.926 4.286 -5.248 1.00 0.00 O ATOM 0 H GLY A 81 27.697 5.570 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.569 6.386 -5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.774 7.247 -4.365 1.00 0.00 H new ATOM 1195 N CYS A 82 30.832 4.972 -3.308 1.00 0.00 N ATOM 1196 CA CYS A 82 31.882 3.952 -3.245 1.00 0.00 C ATOM 1197 C CYS A 82 31.367 2.563 -2.834 1.00 0.00 C ATOM 1198 O CYS A 82 32.075 1.808 -2.164 1.00 0.00 O ATOM 1199 CB CYS A 82 33.018 4.443 -2.329 1.00 0.00 C ATOM 1200 SG CYS A 82 33.589 6.101 -2.821 1.00 0.00 S ATOM 0 H CYS A 82 30.792 5.565 -2.479 1.00 0.00 H new ATOM 0 HA CYS A 82 32.269 3.815 -4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 82 32.672 4.466 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 82 33.851 3.741 -2.370 1.00 0.00 H new ATOM 0 HG CYS A 82 34.544 6.484 -2.027 1.00 0.00 H new ATOM 1206 N GLY A 83 30.123 2.238 -3.189 1.00 0.00 N ATOM 1207 CA GLY A 83 29.429 1.049 -2.712 1.00 0.00 C ATOM 1208 C GLY A 83 29.258 1.088 -1.191 1.00 0.00 C ATOM 1209 O GLY A 83 29.307 0.042 -0.539 1.00 0.00 O ATOM 0 H GLY A 83 29.564 2.805 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 83 28.452 0.977 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 83 29.989 0.158 -2.996 1.00 0.00 H new ATOM 1213 N VAL A 84 29.139 2.291 -0.617 1.00 0.00 N ATOM 1214 CA VAL A 84 28.985 2.504 0.809 1.00 0.00 C ATOM 1215 C VAL A 84 27.630 1.939 1.235 1.00 0.00 C ATOM 1216 O VAL A 84 26.707 1.779 0.432 1.00 0.00 O ATOM 1217 CB VAL A 84 29.198 3.986 1.183 1.00 0.00 C ATOM 1218 CG1 VAL A 84 29.369 4.207 2.695 1.00 0.00 C ATOM 1219 CG2 VAL A 84 30.419 4.600 0.475 1.00 0.00 C ATOM 0 H VAL A 84 29.149 3.159 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 84 29.756 1.971 1.365 1.00 0.00 H new ATOM 0 HB VAL A 84 28.287 4.482 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 84 29.515 5.269 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 84 28.477 3.860 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 84 30.236 3.649 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 84 30.525 5.643 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 84 31.317 4.050 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 84 30.281 4.542 -0.605 1.00 0.00 H new ATOM 1229 N ASN A 85 27.528 1.614 2.517 1.00 0.00 N ATOM 1230 CA ASN A 85 26.417 0.873 3.085 1.00 0.00 C ATOM 1231 C ASN A 85 25.970 1.514 4.390 1.00 0.00 C ATOM 1232 O ASN A 85 26.747 2.224 5.031 1.00 0.00 O ATOM 1233 CB ASN A 85 26.865 -0.582 3.293 1.00 0.00 C ATOM 1234 CG ASN A 85 25.684 -1.486 3.586 1.00 0.00 C ATOM 1235 OD1 ASN A 85 25.502 -1.960 4.701 1.00 0.00 O ATOM 1236 ND2 ASN A 85 24.848 -1.707 2.587 1.00 0.00 N ATOM 0 H ASN A 85 28.236 1.867 3.206 1.00 0.00 H new ATOM 0 HA ASN A 85 25.561 0.890 2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 85 27.384 -0.936 2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 85 27.577 -0.631 4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.022 -2.287 2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 85 25.029 -1.297 1.671 1.00 0.00 H new ATOM 1243 N LEU A 86 24.712 1.281 4.764 1.00 0.00 N ATOM 1244 CA LEU A 86 24.059 1.938 5.886 1.00 0.00 C ATOM 1245 C LEU A 86 24.018 0.943 7.048 1.00 0.00 C ATOM 1246 O LEU A 86 23.329 -0.068 6.930 1.00 0.00 O ATOM 1247 CB LEU A 86 22.641 2.397 5.474 1.00 0.00 C ATOM 1248 CG LEU A 86 22.554 3.340 4.251 1.00 0.00 C ATOM 1249 CD1 LEU A 86 21.130 3.905 4.171 1.00 0.00 C ATOM 1250 CD2 LEU A 86 23.564 4.489 4.300 1.00 0.00 C ATOM 0 H LEU A 86 24.109 0.615 4.282 1.00 0.00 H new ATOM 0 HA LEU A 86 24.607 2.829 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.042 1.511 5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.183 2.899 6.326 1.00 0.00 H new ATOM 0 HG LEU A 86 22.798 2.754 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.051 4.573 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.419 3.086 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.906 4.458 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 86 23.449 5.112 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 86 23.388 5.091 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 86 24.575 4.083 4.330 1.00 0.00 H new ATOM 1262 N PRO A 87 24.734 1.180 8.163 1.00 0.00 N ATOM 1263 CA PRO A 87 24.569 0.393 9.378 1.00 0.00 C ATOM 1264 C PRO A 87 23.109 0.248 9.863 1.00 0.00 C ATOM 1265 O PRO A 87 22.768 -0.856 10.301 1.00 0.00 O ATOM 1266 CB PRO A 87 25.451 1.060 10.441 1.00 0.00 C ATOM 1267 CG PRO A 87 26.510 1.793 9.620 1.00 0.00 C ATOM 1268 CD PRO A 87 25.753 2.202 8.359 1.00 0.00 C ATOM 0 HA PRO A 87 24.868 -0.635 9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.878 1.748 11.063 1.00 0.00 H new ATOM 0 HB3 PRO A 87 25.899 0.325 11.109 1.00 0.00 H new ATOM 0 HG2 PRO A 87 26.904 2.659 10.152 1.00 0.00 H new ATOM 0 HG3 PRO A 87 27.358 1.148 9.389 1.00 0.00 H new ATOM 0 HD2 PRO A 87 25.302 3.187 8.475 1.00 0.00 H new ATOM 0 HD3 PRO A 87 26.423 2.257 7.501 1.00 0.00 H new ATOM 1276 N PRO A 88 22.245 1.293 9.844 1.00 0.00 N ATOM 1277 CA PRO A 88 20.901 1.183 10.414 1.00 0.00 C ATOM 1278 C PRO A 88 19.926 0.370 9.548 1.00 0.00 C ATOM 1279 O PRO A 88 20.236 -0.032 8.427 1.00 0.00 O ATOM 1280 CB PRO A 88 20.436 2.630 10.633 1.00 0.00 C ATOM 1281 CG PRO A 88 21.182 3.403 9.550 1.00 0.00 C ATOM 1282 CD PRO A 88 22.517 2.693 9.501 1.00 0.00 C ATOM 0 HA PRO A 88 20.923 0.620 11.347 1.00 0.00 H new ATOM 0 HB2 PRO A 88 19.356 2.727 10.525 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.690 2.988 11.631 1.00 0.00 H new ATOM 0 HG2 PRO A 88 20.664 3.360 8.592 1.00 0.00 H new ATOM 0 HG3 PRO A 88 21.292 4.457 9.806 1.00 0.00 H new ATOM 0 HD2 PRO A 88 22.964 2.772 8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 88 23.221 3.137 10.205 1.00 0.00 H new ATOM 1290 N GLU A 89 18.706 0.182 10.066 1.00 0.00 N ATOM 1291 CA GLU A 89 17.631 -0.664 9.527 1.00 0.00 C ATOM 1292 C GLU A 89 17.220 -0.302 8.095 1.00 0.00 C ATOM 1293 O GLU A 89 16.500 -1.047 7.433 1.00 0.00 O ATOM 1294 CB GLU A 89 16.383 -0.553 10.419 1.00 0.00 C ATOM 1295 CG GLU A 89 16.583 -0.879 11.901 1.00 0.00 C ATOM 1296 CD GLU A 89 16.995 -2.342 12.151 1.00 0.00 C ATOM 1297 OE1 GLU A 89 16.106 -3.211 12.297 1.00 0.00 O ATOM 1298 OE2 GLU A 89 18.209 -2.627 12.259 1.00 0.00 O ATOM 0 H GLU A 89 18.424 0.647 10.929 1.00 0.00 H new ATOM 0 HA GLU A 89 18.031 -1.678 9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.995 0.462 10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.617 -1.219 10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.346 -0.218 12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.658 -0.672 12.440 1.00 0.00 H new ATOM 1305 N TRP A 90 17.664 0.843 7.588 1.00 0.00 N ATOM 1306 CA TRP A 90 17.507 1.227 6.199 1.00 0.00 C ATOM 1307 C TRP A 90 18.085 0.176 5.248 1.00 0.00 C ATOM 1308 O TRP A 90 17.615 0.070 4.118 1.00 0.00 O ATOM 1309 CB TRP A 90 18.171 2.588 6.000 1.00 0.00 C ATOM 1310 CG TRP A 90 17.576 3.695 6.809 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.950 4.066 8.049 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.472 4.577 6.464 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.222 5.151 8.469 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.265 5.498 7.537 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.623 4.676 5.346 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.271 6.485 7.487 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 14.615 5.650 5.295 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.440 6.553 6.357 1.00 0.00 C ATOM 0 H TRP A 90 18.153 1.542 8.147 1.00 0.00 H new ATOM 0 HA TRP A 90 16.446 1.297 5.961 1.00 0.00 H new ATOM 0 HB2 TRP A 90 19.229 2.501 6.249 1.00 0.00 H new ATOM 0 HB3 TRP A 90 18.113 2.855 4.945 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.717 3.577 8.632 1.00 0.00 H new ATOM 0 HE1 TRP A 90 17.369 5.637 9.354 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.749 3.994 4.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.146 7.181 8.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 13.968 5.706 4.432 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.664 7.302 6.304 1.00 0.00 H new ATOM 1329 N VAL A 91 19.063 -0.632 5.671 1.00 0.00 N ATOM 1330 CA VAL A 91 19.636 -1.634 4.793 1.00 0.00 C ATOM 1331 C VAL A 91 18.789 -2.915 4.820 1.00 0.00 C ATOM 1332 O VAL A 91 18.878 -3.724 3.897 1.00 0.00 O ATOM 1333 CB VAL A 91 21.120 -1.854 5.161 1.00 0.00 C ATOM 1334 CG1 VAL A 91 21.335 -2.615 6.479 1.00 0.00 C ATOM 1335 CG2 VAL A 91 21.898 -2.564 4.047 1.00 0.00 C ATOM 0 H VAL A 91 19.465 -0.606 6.608 1.00 0.00 H new ATOM 0 HA VAL A 91 19.619 -1.291 3.759 1.00 0.00 H new ATOM 0 HB VAL A 91 21.508 -0.844 5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.403 -2.727 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 91 20.881 -2.058 7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 91 20.873 -3.600 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 91 22.936 -2.695 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 91 21.450 -3.539 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 91 21.862 -1.963 3.138 1.00 0.00 H new ATOM 1345 N THR A 92 17.939 -3.102 5.840 1.00 0.00 N ATOM 1346 CA THR A 92 17.247 -4.360 6.093 1.00 0.00 C ATOM 1347 C THR A 92 15.794 -4.347 5.596 1.00 0.00 C ATOM 1348 O THR A 92 14.969 -5.162 6.017 1.00 0.00 O ATOM 1349 CB THR A 92 17.412 -4.753 7.577 1.00 0.00 C ATOM 1350 OG1 THR A 92 16.955 -3.738 8.447 1.00 0.00 O ATOM 1351 CG2 THR A 92 18.880 -4.989 7.947 1.00 0.00 C ATOM 0 H THR A 92 17.715 -2.372 6.516 1.00 0.00 H new ATOM 0 HA THR A 92 17.713 -5.148 5.501 1.00 0.00 H new ATOM 0 HB THR A 92 16.825 -5.664 7.693 1.00 0.00 H new ATOM 0 HG1 THR A 92 16.705 -2.948 7.925 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.950 -5.263 9.000 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.285 -5.795 7.334 1.00 0.00 H new ATOM 0 HG23 THR A 92 19.451 -4.077 7.771 1.00 0.00 H new ATOM 1359 N GLN A 93 15.478 -3.410 4.700 1.00 0.00 N ATOM 1360 CA GLN A 93 14.191 -3.341 4.013 1.00 0.00 C ATOM 1361 C GLN A 93 14.205 -4.274 2.789 1.00 0.00 C ATOM 1362 O GLN A 93 15.133 -5.071 2.620 1.00 0.00 O ATOM 1363 CB GLN A 93 13.843 -1.877 3.680 1.00 0.00 C ATOM 1364 CG GLN A 93 13.874 -0.942 4.903 1.00 0.00 C ATOM 1365 CD GLN A 93 13.097 -1.492 6.110 1.00 0.00 C ATOM 1366 OE1 GLN A 93 11.944 -1.909 6.017 1.00 0.00 O ATOM 1367 NE2 GLN A 93 13.731 -1.569 7.268 1.00 0.00 N ATOM 0 H GLN A 93 16.121 -2.666 4.428 1.00 0.00 H new ATOM 0 HA GLN A 93 13.392 -3.697 4.663 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.544 -1.507 2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.850 -1.841 3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 93 14.910 -0.771 5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.458 0.026 4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.688 -1.224 7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.263 -1.973 8.080 1.00 0.00 H new ATOM 1376 N GLU A 94 13.161 -4.225 1.958 1.00 0.00 N ATOM 1377 CA GLU A 94 12.939 -5.193 0.887 1.00 0.00 C ATOM 1378 C GLU A 94 14.047 -5.157 -0.169 1.00 0.00 C ATOM 1379 O GLU A 94 14.399 -6.202 -0.719 1.00 0.00 O ATOM 1380 CB GLU A 94 11.572 -4.980 0.211 1.00 0.00 C ATOM 1381 CG GLU A 94 10.386 -5.062 1.183 1.00 0.00 C ATOM 1382 CD GLU A 94 9.044 -5.253 0.451 1.00 0.00 C ATOM 1383 OE1 GLU A 94 8.734 -4.503 -0.502 1.00 0.00 O ATOM 1384 OE2 GLU A 94 8.279 -6.172 0.826 1.00 0.00 O ATOM 0 H GLU A 94 12.441 -3.505 2.012 1.00 0.00 H new ATOM 0 HA GLU A 94 12.953 -6.176 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.565 -4.005 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.442 -5.728 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.542 -5.890 1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.345 -4.152 1.781 1.00 0.00 H new ATOM 1391 N ILE A 95 14.601 -3.973 -0.447 1.00 0.00 N ATOM 1392 CA ILE A 95 15.577 -3.743 -1.508 1.00 0.00 C ATOM 1393 C ILE A 95 16.608 -2.758 -0.950 1.00 0.00 C ATOM 1394 O ILE A 95 16.228 -1.781 -0.294 1.00 0.00 O ATOM 1395 CB ILE A 95 14.860 -3.208 -2.765 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.898 -4.296 -3.301 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.865 -2.746 -3.846 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.338 -4.032 -4.694 1.00 0.00 C ATOM 0 H ILE A 95 14.374 -3.127 0.076 1.00 0.00 H new ATOM 0 HA ILE A 95 16.083 -4.659 -1.812 1.00 0.00 H new ATOM 0 HB ILE A 95 14.280 -2.325 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.424 -5.251 -3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.066 -4.399 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.320 -2.376 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 95 16.491 -1.949 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.493 -3.586 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.676 -4.849 -4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.779 -3.096 -4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.158 -3.962 -5.409 1.00 0.00 H new ATOM 1410 N PHE A 96 17.888 -2.978 -1.264 1.00 0.00 N ATOM 1411 CA PHE A 96 18.968 -2.052 -1.006 1.00 0.00 C ATOM 1412 C PHE A 96 19.909 -2.069 -2.208 1.00 0.00 C ATOM 1413 O PHE A 96 20.238 -3.141 -2.722 1.00 0.00 O ATOM 1414 CB PHE A 96 19.748 -2.413 0.271 1.00 0.00 C ATOM 1415 CG PHE A 96 20.946 -1.495 0.457 1.00 0.00 C ATOM 1416 CD1 PHE A 96 22.183 -1.808 -0.148 1.00 0.00 C ATOM 1417 CD2 PHE A 96 20.774 -0.245 1.079 1.00 0.00 C ATOM 1418 CE1 PHE A 96 23.219 -0.856 -0.183 1.00 0.00 C ATOM 1419 CE2 PHE A 96 21.832 0.679 1.095 1.00 0.00 C ATOM 1420 CZ PHE A 96 23.049 0.382 0.458 1.00 0.00 C ATOM 0 H PHE A 96 18.199 -3.836 -1.719 1.00 0.00 H new ATOM 0 HA PHE A 96 18.546 -1.059 -0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.090 -2.338 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.084 -3.448 0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.335 -2.783 -0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.831 0.004 1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 96 24.141 -1.077 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 96 21.709 1.625 1.601 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.852 1.104 0.461 1.00 0.00 H new ATOM 1430 N GLU A 97 20.365 -0.889 -2.616 1.00 0.00 N ATOM 1431 CA GLU A 97 21.440 -0.679 -3.577 1.00 0.00 C ATOM 1432 C GLU A 97 22.189 0.591 -3.168 1.00 0.00 C ATOM 1433 O GLU A 97 21.632 1.439 -2.473 1.00 0.00 O ATOM 1434 CB GLU A 97 20.900 -0.483 -5.004 1.00 0.00 C ATOM 1435 CG GLU A 97 20.518 -1.794 -5.691 1.00 0.00 C ATOM 1436 CD GLU A 97 20.174 -1.586 -7.178 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.367 -0.687 -7.507 1.00 0.00 O ATOM 1438 OE2 GLU A 97 20.707 -2.336 -8.029 1.00 0.00 O ATOM 0 H GLU A 97 19.976 -0.012 -2.269 1.00 0.00 H new ATOM 0 HA GLU A 97 22.087 -1.557 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 97 20.027 0.168 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.654 0.027 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 97 21.342 -2.502 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.663 -2.236 -5.179 1.00 0.00 H new ATOM 1445 N ASP A 98 23.423 0.734 -3.653 1.00 0.00 N ATOM 1446 CA ASP A 98 24.221 1.960 -3.578 1.00 0.00 C ATOM 1447 C ASP A 98 24.606 2.377 -4.998 1.00 0.00 C ATOM 1448 O ASP A 98 25.529 1.809 -5.585 1.00 0.00 O ATOM 1449 CB ASP A 98 25.454 1.877 -2.667 1.00 0.00 C ATOM 1450 CG ASP A 98 26.095 3.276 -2.528 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.385 4.212 -2.101 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.292 3.464 -2.850 1.00 0.00 O ATOM 0 H ASP A 98 23.912 -0.026 -4.125 1.00 0.00 H new ATOM 0 HA ASP A 98 23.596 2.717 -3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.168 1.498 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 98 26.177 1.175 -3.081 1.00 0.00 H new ATOM 1457 N TRP A 99 23.831 3.284 -5.598 1.00 0.00 N ATOM 1458 CA TRP A 99 24.025 3.761 -6.964 1.00 0.00 C ATOM 1459 C TRP A 99 25.307 4.589 -7.036 1.00 0.00 C ATOM 1460 O TRP A 99 25.330 5.757 -6.641 1.00 0.00 O ATOM 1461 CB TRP A 99 22.783 4.529 -7.459 1.00 0.00 C ATOM 1462 CG TRP A 99 21.519 3.730 -7.651 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.325 2.409 -7.413 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.222 4.225 -8.095 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.020 2.059 -7.698 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.270 3.156 -8.062 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.756 5.498 -8.481 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.907 3.358 -8.356 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.401 5.713 -8.774 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.486 4.651 -8.700 1.00 0.00 C ATOM 0 H TRP A 99 23.032 3.716 -5.133 1.00 0.00 H new ATOM 0 HA TRP A 99 24.143 2.913 -7.639 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.574 5.329 -6.749 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.033 5.002 -8.409 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.082 1.729 -7.052 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.657 1.107 -7.646 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.453 6.320 -8.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.205 2.539 -8.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.061 6.698 -9.057 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.442 4.832 -8.911 1.00 0.00 H new ATOM 1481 N GLN A 100 26.376 3.973 -7.547 1.00 0.00 N ATOM 1482 CA GLN A 100 27.612 4.657 -7.889 1.00 0.00 C ATOM 1483 C GLN A 100 27.278 5.691 -8.964 1.00 0.00 C ATOM 1484 O GLN A 100 26.726 5.338 -10.011 1.00 0.00 O ATOM 1485 CB GLN A 100 28.657 3.623 -8.329 1.00 0.00 C ATOM 1486 CG GLN A 100 30.047 4.244 -8.543 1.00 0.00 C ATOM 1487 CD GLN A 100 31.147 3.192 -8.391 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.761 2.752 -9.361 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.404 2.760 -7.166 1.00 0.00 N ATOM 0 H GLN A 100 26.401 2.971 -7.735 1.00 0.00 H new ATOM 0 HA GLN A 100 28.048 5.183 -7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.726 2.838 -7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.328 3.150 -9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.101 4.691 -9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.205 5.047 -7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 100 30.885 3.136 -6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.121 2.051 -7.015 1.00 0.00 H new ATOM 1498 N LEU A 101 27.544 6.965 -8.673 1.00 0.00 N ATOM 1499 CA LEU A 101 27.109 8.113 -9.457 1.00 0.00 C ATOM 1500 C LEU A 101 28.036 9.276 -9.141 1.00 0.00 C ATOM 1501 O LEU A 101 28.454 9.437 -7.992 1.00 0.00 O ATOM 1502 CB LEU A 101 25.706 8.544 -9.006 1.00 0.00 C ATOM 1503 CG LEU A 101 24.521 7.687 -9.470 1.00 0.00 C ATOM 1504 CD1 LEU A 101 23.263 8.193 -8.768 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.341 7.707 -10.988 1.00 0.00 C ATOM 0 H LEU A 101 28.089 7.232 -7.853 1.00 0.00 H new ATOM 0 HA LEU A 101 27.115 7.851 -10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.696 8.571 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.540 9.564 -9.352 1.00 0.00 H new ATOM 0 HG LEU A 101 24.716 6.648 -9.204 1.00 0.00 H new ATOM 0 HD11 LEU A 101 22.406 7.598 -9.083 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.388 8.106 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 101 23.095 9.238 -9.030 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.489 7.085 -11.262 1.00 0.00 H new ATOM 0 HD22 LEU A 101 24.164 8.730 -11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.241 7.321 -11.466 1.00 0.00 H new ATOM 1517 N GLU A 102 28.279 10.120 -10.135 1.00 0.00 N ATOM 1518 CA GLU A 102 29.276 11.176 -10.144 1.00 0.00 C ATOM 1519 C GLU A 102 28.741 12.470 -9.537 1.00 0.00 C ATOM 1520 O GLU A 102 28.665 13.497 -10.208 1.00 0.00 O ATOM 1521 CB GLU A 102 29.849 11.353 -11.565 1.00 0.00 C ATOM 1522 CG GLU A 102 30.581 10.107 -12.093 1.00 0.00 C ATOM 1523 CD GLU A 102 29.684 8.919 -12.513 1.00 0.00 C ATOM 1524 OE1 GLU A 102 28.468 9.095 -12.764 1.00 0.00 O ATOM 1525 OE2 GLU A 102 30.215 7.787 -12.601 1.00 0.00 O ATOM 0 H GLU A 102 27.752 10.081 -11.008 1.00 0.00 H new ATOM 0 HA GLU A 102 30.105 10.883 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.036 11.603 -12.247 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.538 12.197 -11.567 1.00 0.00 H new ATOM 0 HG2 GLU A 102 31.185 10.402 -12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.270 9.761 -11.322 1.00 0.00 H new ATOM 1532 N ASP A 103 28.352 12.357 -8.263 1.00 0.00 N ATOM 1533 CA ASP A 103 27.902 13.394 -7.324 1.00 0.00 C ATOM 1534 C ASP A 103 27.923 14.819 -7.912 1.00 0.00 C ATOM 1535 O ASP A 103 28.942 15.512 -7.814 1.00 0.00 O ATOM 1536 CB ASP A 103 28.748 13.302 -6.051 1.00 0.00 C ATOM 1537 CG ASP A 103 28.183 14.174 -4.919 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.170 13.758 -4.311 1.00 0.00 O ATOM 1539 OD2 ASP A 103 28.787 15.222 -4.603 1.00 0.00 O ATOM 0 H ASP A 103 28.343 11.440 -7.816 1.00 0.00 H new ATOM 0 HA ASP A 103 26.853 13.203 -7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.794 12.264 -5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.770 13.612 -6.272 1.00 0.00 H new ATOM 1544 N PRO A 104 26.846 15.228 -8.610 1.00 0.00 N ATOM 1545 CA PRO A 104 26.807 16.448 -9.406 1.00 0.00 C ATOM 1546 C PRO A 104 27.058 17.779 -8.689 1.00 0.00 C ATOM 1547 O PRO A 104 27.237 18.786 -9.369 1.00 0.00 O ATOM 1548 CB PRO A 104 25.463 16.448 -10.122 1.00 0.00 C ATOM 1549 CG PRO A 104 25.137 14.971 -10.241 1.00 0.00 C ATOM 1550 CD PRO A 104 25.723 14.377 -8.965 1.00 0.00 C ATOM 0 HA PRO A 104 27.663 16.409 -10.079 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.703 16.984 -9.553 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.527 16.927 -11.099 1.00 0.00 H new ATOM 0 HG2 PRO A 104 24.062 14.801 -10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.585 14.531 -11.132 1.00 0.00 H new ATOM 0 HD2 PRO A 104 24.981 14.356 -8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 104 26.047 13.349 -9.126 1.00 0.00 H new ATOM 1558 N ASP A 105 27.083 17.835 -7.358 1.00 0.00 N ATOM 1559 CA ASP A 105 27.325 19.066 -6.605 1.00 0.00 C ATOM 1560 C ASP A 105 28.681 19.695 -6.973 1.00 0.00 C ATOM 1561 O ASP A 105 29.737 19.290 -6.478 1.00 0.00 O ATOM 1562 CB ASP A 105 27.200 18.792 -5.102 1.00 0.00 C ATOM 1563 CG ASP A 105 27.174 20.081 -4.270 1.00 0.00 C ATOM 1564 OD1 ASP A 105 28.154 20.858 -4.265 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.172 20.265 -3.542 1.00 0.00 O ATOM 0 H ASP A 105 26.934 17.018 -6.765 1.00 0.00 H new ATOM 0 HA ASP A 105 26.565 19.799 -6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.289 18.224 -4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.035 18.171 -4.778 1.00 0.00 H new ATOM 1570 N GLY A 106 28.641 20.661 -7.893 1.00 0.00 N ATOM 1571 CA GLY A 106 29.755 21.497 -8.317 1.00 0.00 C ATOM 1572 C GLY A 106 30.336 21.087 -9.674 1.00 0.00 C ATOM 1573 O GLY A 106 31.438 21.532 -10.004 1.00 0.00 O ATOM 0 H GLY A 106 27.779 20.890 -8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.423 22.534 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.542 21.452 -7.564 1.00 0.00 H new ATOM 1577 N GLN A 107 29.651 20.233 -10.447 1.00 0.00 N ATOM 1578 CA GLN A 107 30.228 19.620 -11.645 1.00 0.00 C ATOM 1579 C GLN A 107 29.814 20.337 -12.937 1.00 0.00 C ATOM 1580 O GLN A 107 29.037 21.296 -12.930 1.00 0.00 O ATOM 1581 CB GLN A 107 29.843 18.135 -11.722 1.00 0.00 C ATOM 1582 CG GLN A 107 30.009 17.331 -10.430 1.00 0.00 C ATOM 1583 CD GLN A 107 31.431 17.044 -9.959 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.426 17.511 -10.509 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.536 16.232 -8.921 1.00 0.00 N ATOM 0 H GLN A 107 28.689 19.951 -10.259 1.00 0.00 H new ATOM 0 HA GLN A 107 31.310 19.716 -11.558 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.802 18.066 -12.038 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.444 17.664 -12.499 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.491 17.864 -9.633 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.498 16.377 -10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.696 15.856 -8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.457 15.981 -8.561 1.00 0.00 H new ATOM 1594 N SER A 108 30.345 19.841 -14.055 1.00 0.00 N ATOM 1595 CA SER A 108 30.044 20.277 -15.412 1.00 0.00 C ATOM 1596 C SER A 108 28.683 19.723 -15.853 1.00 0.00 C ATOM 1597 O SER A 108 28.269 18.664 -15.373 1.00 0.00 O ATOM 1598 CB SER A 108 31.150 19.721 -16.314 1.00 0.00 C ATOM 1599 OG SER A 108 32.433 20.130 -15.858 1.00 0.00 O ATOM 0 H SER A 108 31.031 19.086 -14.034 1.00 0.00 H new ATOM 0 HA SER A 108 30.000 21.365 -15.471 1.00 0.00 H new ATOM 0 HB2 SER A 108 31.097 18.632 -16.332 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.997 20.065 -17.337 1.00 0.00 H new ATOM 0 HG SER A 108 33.123 19.761 -16.449 1.00 0.00 H new ATOM 1605 N LEU A 109 28.003 20.379 -16.802 1.00 0.00 N ATOM 1606 CA LEU A 109 26.694 19.928 -17.289 1.00 0.00 C ATOM 1607 C LEU A 109 26.760 18.523 -17.879 1.00 0.00 C ATOM 1608 O LEU A 109 25.786 17.782 -17.781 1.00 0.00 O ATOM 1609 CB LEU A 109 26.107 20.880 -18.344 1.00 0.00 C ATOM 1610 CG LEU A 109 25.696 22.260 -17.799 1.00 0.00 C ATOM 1611 CD1 LEU A 109 25.285 23.171 -18.961 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.536 22.174 -16.798 1.00 0.00 C ATOM 0 H LEU A 109 28.342 21.230 -17.250 1.00 0.00 H new ATOM 0 HA LEU A 109 26.042 19.922 -16.416 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.841 21.020 -19.137 1.00 0.00 H new ATOM 0 HB3 LEU A 109 25.235 20.408 -18.797 1.00 0.00 H new ATOM 0 HG LEU A 109 26.560 22.668 -17.274 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.994 24.147 -18.573 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.125 23.288 -19.646 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.443 22.726 -19.492 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.286 23.174 -16.444 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.667 21.733 -17.286 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.831 21.553 -15.952 1.00 0.00 H new ATOM 1624 N GLU A 110 27.894 18.136 -18.463 1.00 0.00 N ATOM 1625 CA GLU A 110 28.105 16.791 -18.978 1.00 0.00 C ATOM 1626 C GLU A 110 28.022 15.762 -17.844 1.00 0.00 C ATOM 1627 O GLU A 110 27.423 14.701 -18.020 1.00 0.00 O ATOM 1628 CB GLU A 110 29.464 16.688 -19.695 1.00 0.00 C ATOM 1629 CG GLU A 110 29.630 17.655 -20.883 1.00 0.00 C ATOM 1630 CD GLU A 110 30.353 18.964 -20.505 1.00 0.00 C ATOM 1631 OE1 GLU A 110 29.832 19.739 -19.672 1.00 0.00 O ATOM 1632 OE2 GLU A 110 31.447 19.230 -21.055 1.00 0.00 O ATOM 0 H GLU A 110 28.695 18.754 -18.591 1.00 0.00 H new ATOM 0 HA GLU A 110 27.318 16.577 -19.701 1.00 0.00 H new ATOM 0 HB2 GLU A 110 30.258 16.879 -18.973 1.00 0.00 H new ATOM 0 HB3 GLU A 110 29.597 15.667 -20.052 1.00 0.00 H new ATOM 0 HG2 GLU A 110 30.188 17.155 -21.675 1.00 0.00 H new ATOM 0 HG3 GLU A 110 28.647 17.895 -21.288 1.00 0.00 H new ATOM 1639 N VAL A 111 28.577 16.073 -16.667 1.00 0.00 N ATOM 1640 CA VAL A 111 28.521 15.195 -15.502 1.00 0.00 C ATOM 1641 C VAL A 111 27.080 15.136 -14.995 1.00 0.00 C ATOM 1642 O VAL A 111 26.577 14.046 -14.725 1.00 0.00 O ATOM 1643 CB VAL A 111 29.498 15.673 -14.412 1.00 0.00 C ATOM 1644 CG1 VAL A 111 29.412 14.804 -13.150 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.948 15.663 -14.923 1.00 0.00 C ATOM 0 H VAL A 111 29.079 16.945 -16.499 1.00 0.00 H new ATOM 0 HA VAL A 111 28.832 14.188 -15.780 1.00 0.00 H new ATOM 0 HB VAL A 111 29.206 16.693 -14.160 1.00 0.00 H new ATOM 0 HG11 VAL A 111 30.117 15.174 -12.405 1.00 0.00 H new ATOM 0 HG12 VAL A 111 28.401 14.848 -12.746 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.658 13.772 -13.401 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.615 16.005 -14.132 1.00 0.00 H new ATOM 0 HG22 VAL A 111 31.223 14.650 -15.217 1.00 0.00 H new ATOM 0 HG23 VAL A 111 31.035 16.327 -15.783 1.00 0.00 H new ATOM 1655 N PHE A 112 26.397 16.284 -14.922 1.00 0.00 N ATOM 1656 CA PHE A 112 24.988 16.334 -14.553 1.00 0.00 C ATOM 1657 C PHE A 112 24.161 15.438 -15.473 1.00 0.00 C ATOM 1658 O PHE A 112 23.440 14.579 -14.978 1.00 0.00 O ATOM 1659 CB PHE A 112 24.470 17.774 -14.591 1.00 0.00 C ATOM 1660 CG PHE A 112 24.626 18.529 -13.299 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.615 18.459 -12.319 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.786 19.284 -13.068 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.795 19.104 -11.086 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.965 19.924 -11.838 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.988 19.801 -10.841 1.00 0.00 C ATOM 0 H PHE A 112 26.808 17.197 -15.117 1.00 0.00 H new ATOM 0 HA PHE A 112 24.887 15.963 -13.533 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.995 18.315 -15.378 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.415 17.760 -14.863 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.706 17.911 -12.517 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.538 19.370 -13.838 1.00 0.00 H new ATOM 0 HE1 PHE A 112 23.022 19.064 -10.332 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.853 20.511 -11.657 1.00 0.00 H new ATOM 0 HZ PHE A 112 25.155 20.248 -9.872 1.00 0.00 H new ATOM 1675 N ARG A 113 24.285 15.587 -16.794 1.00 0.00 N ATOM 1676 CA ARG A 113 23.576 14.755 -17.770 1.00 0.00 C ATOM 1677 C ARG A 113 23.934 13.280 -17.622 1.00 0.00 C ATOM 1678 O ARG A 113 23.034 12.442 -17.668 1.00 0.00 O ATOM 1679 CB ARG A 113 23.854 15.271 -19.195 1.00 0.00 C ATOM 1680 CG ARG A 113 23.060 16.563 -19.433 1.00 0.00 C ATOM 1681 CD ARG A 113 23.556 17.422 -20.590 1.00 0.00 C ATOM 1682 NE ARG A 113 22.536 18.380 -21.053 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.752 19.349 -21.952 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.955 19.515 -22.501 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.760 20.155 -22.302 1.00 0.00 N ATOM 0 H ARG A 113 24.885 16.294 -17.220 1.00 0.00 H new ATOM 0 HA ARG A 113 22.506 14.832 -17.577 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.920 15.457 -19.325 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.571 14.516 -19.929 1.00 0.00 H new ATOM 0 HG2 ARG A 113 22.017 16.302 -19.615 1.00 0.00 H new ATOM 0 HG3 ARG A 113 23.085 17.160 -18.521 1.00 0.00 H new ATOM 0 HD2 ARG A 113 24.448 17.966 -20.279 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.849 16.777 -21.419 1.00 0.00 H new ATOM 0 HE ARG A 113 21.598 18.299 -20.660 1.00 0.00 H new ATOM 0 HH11 ARG A 113 24.725 18.900 -22.238 1.00 0.00 H new ATOM 0 HH12 ARG A 113 24.106 20.257 -23.184 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.836 20.036 -21.887 1.00 0.00 H new ATOM 0 HH22 ARG A 113 21.921 20.894 -22.986 1.00 0.00 H new ATOM 1699 N THR A 114 25.207 12.947 -17.400 1.00 0.00 N ATOM 1700 CA THR A 114 25.651 11.580 -17.213 1.00 0.00 C ATOM 1701 C THR A 114 24.967 10.970 -15.984 1.00 0.00 C ATOM 1702 O THR A 114 24.461 9.849 -16.045 1.00 0.00 O ATOM 1703 CB THR A 114 27.185 11.614 -17.105 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.751 12.065 -18.320 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.774 10.252 -16.771 1.00 0.00 C ATOM 0 H THR A 114 25.961 13.632 -17.346 1.00 0.00 H new ATOM 0 HA THR A 114 25.375 10.940 -18.051 1.00 0.00 H new ATOM 0 HB THR A 114 27.425 12.299 -16.292 1.00 0.00 H new ATOM 0 HG1 THR A 114 27.507 13.003 -18.466 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.859 10.331 -16.706 1.00 0.00 H new ATOM 0 HG22 THR A 114 27.377 9.909 -15.816 1.00 0.00 H new ATOM 0 HG23 THR A 114 27.508 9.539 -17.552 1.00 0.00 H new ATOM 1713 N VAL A 115 24.922 11.687 -14.862 1.00 0.00 N ATOM 1714 CA VAL A 115 24.252 11.204 -13.666 1.00 0.00 C ATOM 1715 C VAL A 115 22.748 11.166 -13.884 1.00 0.00 C ATOM 1716 O VAL A 115 22.145 10.154 -13.543 1.00 0.00 O ATOM 1717 CB VAL A 115 24.675 12.039 -12.450 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.802 11.826 -11.203 1.00 0.00 C ATOM 1719 CG2 VAL A 115 26.131 11.713 -12.103 1.00 0.00 C ATOM 0 H VAL A 115 25.346 12.609 -14.761 1.00 0.00 H new ATOM 0 HA VAL A 115 24.556 10.179 -13.457 1.00 0.00 H new ATOM 0 HB VAL A 115 24.550 13.083 -12.736 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.169 12.453 -10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.770 12.094 -11.431 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.847 10.779 -10.902 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.440 12.302 -11.240 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.221 10.652 -11.869 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.770 11.952 -12.953 1.00 0.00 H new ATOM 1729 N ARG A 116 22.137 12.192 -14.486 1.00 0.00 N ATOM 1730 CA ARG A 116 20.697 12.221 -14.705 1.00 0.00 C ATOM 1731 C ARG A 116 20.280 10.989 -15.494 1.00 0.00 C ATOM 1732 O ARG A 116 19.301 10.348 -15.128 1.00 0.00 O ATOM 1733 CB ARG A 116 20.258 13.504 -15.441 1.00 0.00 C ATOM 1734 CG ARG A 116 18.724 13.617 -15.355 1.00 0.00 C ATOM 1735 CD ARG A 116 17.990 14.410 -16.443 1.00 0.00 C ATOM 1736 NE ARG A 116 18.442 14.059 -17.806 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.937 14.913 -18.714 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.883 16.221 -18.500 1.00 0.00 N ATOM 1739 NH2 ARG A 116 19.490 14.458 -19.833 1.00 0.00 N ATOM 0 H ARG A 116 22.627 13.017 -14.831 1.00 0.00 H new ATOM 0 HA ARG A 116 20.203 12.219 -13.733 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.728 14.378 -14.991 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.577 13.471 -16.483 1.00 0.00 H new ATOM 0 HG2 ARG A 116 18.316 12.606 -15.349 1.00 0.00 H new ATOM 0 HG3 ARG A 116 18.477 14.066 -14.393 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.919 14.226 -16.361 1.00 0.00 H new ATOM 0 HD3 ARG A 116 18.144 15.476 -16.277 1.00 0.00 H new ATOM 0 HE ARG A 116 18.371 13.079 -18.081 1.00 0.00 H new ATOM 0 HH11 ARG A 116 18.464 16.581 -17.642 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.261 16.867 -19.193 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.540 13.454 -20.006 1.00 0.00 H new ATOM 0 HH22 ARG A 116 19.865 15.113 -20.520 1.00 0.00 H new ATOM 1753 N GLY A 117 21.024 10.646 -16.546 1.00 0.00 N ATOM 1754 CA GLY A 117 20.699 9.496 -17.366 1.00 0.00 C ATOM 1755 C GLY A 117 20.738 8.221 -16.538 1.00 0.00 C ATOM 1756 O GLY A 117 19.745 7.496 -16.536 1.00 0.00 O ATOM 0 H GLY A 117 21.856 11.154 -16.845 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.708 9.622 -17.803 1.00 0.00 H new ATOM 0 HA3 GLY A 117 21.405 9.421 -18.193 1.00 0.00 H new ATOM 1760 N GLN A 118 21.820 7.986 -15.784 1.00 0.00 N ATOM 1761 CA GLN A 118 21.957 6.813 -14.927 1.00 0.00 C ATOM 1762 C GLN A 118 20.804 6.757 -13.925 1.00 0.00 C ATOM 1763 O GLN A 118 20.053 5.788 -13.888 1.00 0.00 O ATOM 1764 CB GLN A 118 23.302 6.852 -14.183 1.00 0.00 C ATOM 1765 CG GLN A 118 24.532 6.652 -15.074 1.00 0.00 C ATOM 1766 CD GLN A 118 25.819 6.872 -14.277 1.00 0.00 C ATOM 1767 OE1 GLN A 118 26.375 5.949 -13.685 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.284 8.109 -14.232 1.00 0.00 N ATOM 0 H GLN A 118 22.626 8.611 -15.755 1.00 0.00 H new ATOM 0 HA GLN A 118 21.927 5.919 -15.550 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.392 7.811 -13.673 1.00 0.00 H new ATOM 0 HB3 GLN A 118 23.298 6.080 -13.413 1.00 0.00 H new ATOM 0 HG2 GLN A 118 24.525 5.645 -15.492 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.495 7.346 -15.914 1.00 0.00 H new ATOM 0 HE21 GLN A 118 25.801 8.854 -14.734 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.126 8.318 -13.696 1.00 0.00 H new ATOM 1777 N VAL A 119 20.651 7.818 -13.137 1.00 0.00 N ATOM 1778 CA VAL A 119 19.603 7.999 -12.139 1.00 0.00 C ATOM 1779 C VAL A 119 18.234 7.687 -12.735 1.00 0.00 C ATOM 1780 O VAL A 119 17.508 6.885 -12.155 1.00 0.00 O ATOM 1781 CB VAL A 119 19.663 9.435 -11.561 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.450 9.763 -10.688 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.898 9.629 -10.671 1.00 0.00 C ATOM 0 H VAL A 119 21.287 8.614 -13.180 1.00 0.00 H new ATOM 0 HA VAL A 119 19.767 7.300 -11.319 1.00 0.00 H new ATOM 0 HB VAL A 119 19.693 10.091 -12.431 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.540 10.780 -10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.540 9.677 -11.282 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.404 9.065 -9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.910 10.647 -10.282 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.863 8.923 -9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.800 9.454 -11.257 1.00 0.00 H new ATOM 1793 N LYS A 120 17.861 8.297 -13.864 1.00 0.00 N ATOM 1794 CA LYS A 120 16.502 8.179 -14.377 1.00 0.00 C ATOM 1795 C LYS A 120 16.221 6.736 -14.763 1.00 0.00 C ATOM 1796 O LYS A 120 15.218 6.166 -14.340 1.00 0.00 O ATOM 1797 CB LYS A 120 16.318 9.152 -15.553 1.00 0.00 C ATOM 1798 CG LYS A 120 14.967 8.963 -16.252 1.00 0.00 C ATOM 1799 CD LYS A 120 14.774 9.997 -17.369 1.00 0.00 C ATOM 1800 CE LYS A 120 13.467 9.747 -18.132 1.00 0.00 C ATOM 1801 NZ LYS A 120 13.498 8.524 -18.974 1.00 0.00 N ATOM 0 H LYS A 120 18.480 8.873 -14.434 1.00 0.00 H new ATOM 0 HA LYS A 120 15.778 8.450 -13.608 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.398 10.177 -15.191 1.00 0.00 H new ATOM 0 HB3 LYS A 120 17.122 9.005 -16.274 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.907 7.958 -16.669 1.00 0.00 H new ATOM 0 HG3 LYS A 120 14.161 9.055 -15.524 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.764 11.000 -16.943 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.616 9.953 -18.060 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.648 9.666 -17.417 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.254 10.609 -18.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.605 8.442 -19.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.291 8.584 -19.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.621 7.688 -18.368 1.00 0.00 H new ATOM 1815 N GLU A 121 17.135 6.141 -15.521 1.00 0.00 N ATOM 1816 CA GLU A 121 17.094 4.737 -15.888 1.00 0.00 C ATOM 1817 C GLU A 121 16.968 3.863 -14.642 1.00 0.00 C ATOM 1818 O GLU A 121 16.174 2.928 -14.631 1.00 0.00 O ATOM 1819 CB GLU A 121 18.356 4.419 -16.717 1.00 0.00 C ATOM 1820 CG GLU A 121 19.144 3.157 -16.351 1.00 0.00 C ATOM 1821 CD GLU A 121 20.174 2.794 -17.435 1.00 0.00 C ATOM 1822 OE1 GLU A 121 19.811 2.108 -18.418 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.363 3.164 -17.307 1.00 0.00 O ATOM 0 H GLU A 121 17.941 6.635 -15.904 1.00 0.00 H new ATOM 0 HA GLU A 121 16.217 4.520 -16.498 1.00 0.00 H new ATOM 0 HB2 GLU A 121 18.060 4.339 -17.763 1.00 0.00 H new ATOM 0 HB3 GLU A 121 19.032 5.271 -16.641 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.655 3.310 -15.400 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.454 2.325 -16.212 1.00 0.00 H new ATOM 1830 N ARG A 122 17.733 4.152 -13.591 1.00 0.00 N ATOM 1831 CA ARG A 122 17.750 3.319 -12.397 1.00 0.00 C ATOM 1832 C ARG A 122 16.455 3.487 -11.600 1.00 0.00 C ATOM 1833 O ARG A 122 15.938 2.475 -11.141 1.00 0.00 O ATOM 1834 CB ARG A 122 19.018 3.588 -11.581 1.00 0.00 C ATOM 1835 CG ARG A 122 20.289 3.067 -12.270 1.00 0.00 C ATOM 1836 CD ARG A 122 21.540 3.681 -11.641 1.00 0.00 C ATOM 1837 NE ARG A 122 22.757 3.294 -12.383 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.997 3.737 -12.139 1.00 0.00 C ATOM 1839 NH1 ARG A 122 24.255 4.439 -11.042 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.971 3.504 -13.009 1.00 0.00 N ATOM 0 H ARG A 122 18.351 4.962 -13.545 1.00 0.00 H new ATOM 0 HA ARG A 122 17.787 2.268 -12.683 1.00 0.00 H new ATOM 0 HB2 ARG A 122 19.115 4.660 -11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.922 3.118 -10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.332 1.981 -12.190 1.00 0.00 H new ATOM 0 HG3 ARG A 122 20.256 3.307 -13.333 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.448 4.767 -11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.625 3.357 -10.604 1.00 0.00 H new ATOM 0 HE ARG A 122 22.643 2.630 -13.149 1.00 0.00 H new ATOM 0 HH11 ARG A 122 23.507 4.644 -10.380 1.00 0.00 H new ATOM 0 HH12 ARG A 122 25.201 4.774 -10.862 1.00 0.00 H new ATOM 0 HH21 ARG A 122 24.776 2.986 -13.866 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.915 3.842 -12.821 1.00 0.00 H new ATOM 1854 N VAL A 123 15.877 4.687 -11.467 1.00 0.00 N ATOM 1855 CA VAL A 123 14.540 4.879 -10.921 1.00 0.00 C ATOM 1856 C VAL A 123 13.552 4.025 -11.726 1.00 0.00 C ATOM 1857 O VAL A 123 12.787 3.274 -11.123 1.00 0.00 O ATOM 1858 CB VAL A 123 14.174 6.378 -10.923 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.716 6.601 -10.514 1.00 0.00 C ATOM 1860 CG2 VAL A 123 15.039 7.188 -9.947 1.00 0.00 C ATOM 0 H VAL A 123 16.334 5.557 -11.740 1.00 0.00 H new ATOM 0 HA VAL A 123 14.498 4.553 -9.882 1.00 0.00 H new ATOM 0 HB VAL A 123 14.346 6.715 -11.945 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.494 7.668 -10.527 1.00 0.00 H new ATOM 0 HG12 VAL A 123 12.059 6.085 -11.214 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.556 6.209 -9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.744 8.237 -9.984 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.900 6.807 -8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 123 16.088 7.096 -10.228 1.00 0.00 H new ATOM 1870 N GLU A 124 13.581 4.078 -13.065 1.00 0.00 N ATOM 1871 CA GLU A 124 12.680 3.271 -13.885 1.00 0.00 C ATOM 1872 C GLU A 124 12.898 1.777 -13.623 1.00 0.00 C ATOM 1873 O GLU A 124 11.942 1.007 -13.549 1.00 0.00 O ATOM 1874 CB GLU A 124 12.848 3.560 -15.391 1.00 0.00 C ATOM 1875 CG GLU A 124 12.360 4.949 -15.819 1.00 0.00 C ATOM 1876 CD GLU A 124 12.475 5.172 -17.337 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.755 4.503 -18.115 1.00 0.00 O ATOM 1878 OE2 GLU A 124 13.260 6.048 -17.765 1.00 0.00 O ATOM 0 H GLU A 124 14.218 4.671 -13.598 1.00 0.00 H new ATOM 0 HA GLU A 124 11.665 3.546 -13.599 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.901 3.459 -15.654 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.304 2.805 -15.958 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.321 5.075 -15.514 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.940 5.711 -15.298 1.00 0.00 H new ATOM 1885 N ASN A 125 14.155 1.370 -13.445 1.00 0.00 N ATOM 1886 CA ASN A 125 14.546 -0.005 -13.185 1.00 0.00 C ATOM 1887 C ASN A 125 13.990 -0.470 -11.842 1.00 0.00 C ATOM 1888 O ASN A 125 13.422 -1.554 -11.747 1.00 0.00 O ATOM 1889 CB ASN A 125 16.078 -0.136 -13.216 1.00 0.00 C ATOM 1890 CG ASN A 125 16.508 -1.548 -13.575 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.472 -2.462 -12.756 1.00 0.00 O ATOM 1892 ND2 ASN A 125 16.930 -1.745 -14.814 1.00 0.00 N ATOM 0 H ASN A 125 14.948 2.011 -13.480 1.00 0.00 H new ATOM 0 HA ASN A 125 14.130 -0.643 -13.965 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.490 0.566 -13.941 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.487 0.134 -12.242 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.235 -2.673 -15.107 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.950 -0.969 -15.475 1.00 0.00 H new ATOM 1899 N LEU A 126 14.117 0.371 -10.811 1.00 0.00 N ATOM 1900 CA LEU A 126 13.618 0.100 -9.470 1.00 0.00 C ATOM 1901 C LEU A 126 12.098 -0.039 -9.512 1.00 0.00 C ATOM 1902 O LEU A 126 11.577 -1.026 -9.007 1.00 0.00 O ATOM 1903 CB LEU A 126 14.209 1.076 -8.418 1.00 0.00 C ATOM 1904 CG LEU A 126 13.250 2.133 -7.851 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.350 1.577 -6.740 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.001 3.321 -7.254 1.00 0.00 C ATOM 0 H LEU A 126 14.580 1.276 -10.893 1.00 0.00 H new ATOM 0 HA LEU A 126 13.980 -0.863 -9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.598 0.488 -7.587 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.057 1.591 -8.869 1.00 0.00 H new ATOM 0 HG LEU A 126 12.645 2.444 -8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.692 2.366 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.749 0.757 -7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.968 1.212 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.286 4.045 -6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.645 2.975 -6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.610 3.792 -8.026 1.00 0.00 H new ATOM 1918 N ILE A 127 11.397 0.878 -10.179 1.00 0.00 N ATOM 1919 CA ILE A 127 9.955 0.828 -10.387 1.00 0.00 C ATOM 1920 C ILE A 127 9.555 -0.450 -11.135 1.00 0.00 C ATOM 1921 O ILE A 127 8.514 -1.025 -10.821 1.00 0.00 O ATOM 1922 CB ILE A 127 9.538 2.104 -11.152 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.619 3.356 -10.249 1.00 0.00 C ATOM 1924 CG2 ILE A 127 8.128 1.966 -11.738 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.615 4.666 -11.051 1.00 0.00 C ATOM 0 H ILE A 127 11.832 1.699 -10.601 1.00 0.00 H new ATOM 0 HA ILE A 127 9.433 0.797 -9.431 1.00 0.00 H new ATOM 0 HB ILE A 127 10.243 2.229 -11.974 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.776 3.355 -9.558 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.526 3.306 -9.646 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.864 2.880 -12.270 1.00 0.00 H new ATOM 0 HG22 ILE A 127 8.102 1.124 -12.429 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.414 1.796 -10.932 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.673 5.512 -10.366 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.473 4.684 -11.724 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.696 4.733 -11.633 1.00 0.00 H new ATOM 1937 N ALA A 128 10.331 -0.922 -12.111 1.00 0.00 N ATOM 1938 CA ALA A 128 9.927 -2.057 -12.944 1.00 0.00 C ATOM 1939 C ALA A 128 9.735 -3.329 -12.104 1.00 0.00 C ATOM 1940 O ALA A 128 8.906 -4.181 -12.425 1.00 0.00 O ATOM 1941 CB ALA A 128 10.956 -2.291 -14.056 1.00 0.00 C ATOM 0 H ALA A 128 11.245 -0.535 -12.345 1.00 0.00 H new ATOM 0 HA ALA A 128 8.966 -1.817 -13.400 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.644 -3.137 -14.668 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.028 -1.399 -14.679 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.929 -2.503 -13.613 1.00 0.00 H new ATOM 1947 N LYS A 129 10.492 -3.438 -11.011 1.00 0.00 N ATOM 1948 CA LYS A 129 10.481 -4.554 -10.073 1.00 0.00 C ATOM 1949 C LYS A 129 9.211 -4.600 -9.211 1.00 0.00 C ATOM 1950 O LYS A 129 8.903 -5.653 -8.653 1.00 0.00 O ATOM 1951 CB LYS A 129 11.705 -4.410 -9.163 1.00 0.00 C ATOM 1952 CG LYS A 129 13.024 -4.504 -9.945 1.00 0.00 C ATOM 1953 CD LYS A 129 14.214 -4.098 -9.068 1.00 0.00 C ATOM 1954 CE LYS A 129 15.396 -3.574 -9.899 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.929 -4.554 -10.877 1.00 0.00 N ATOM 0 H LYS A 129 11.160 -2.714 -10.746 1.00 0.00 H new ATOM 0 HA LYS A 129 10.504 -5.481 -10.645 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.659 -3.452 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.681 -5.187 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.165 -5.523 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.977 -3.859 -10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.898 -3.329 -8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.538 -4.956 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.082 -2.677 -10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.198 -3.278 -9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.212 -4.058 -11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.755 -5.037 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.194 -5.255 -11.102 1.00 0.00 H new ATOM 1969 N ILE A 130 8.483 -3.484 -9.096 1.00 0.00 N ATOM 1970 CA ILE A 130 7.399 -3.264 -8.153 1.00 0.00 C ATOM 1971 C ILE A 130 6.074 -2.809 -8.774 1.00 0.00 C ATOM 1972 O ILE A 130 5.021 -2.960 -8.152 1.00 0.00 O ATOM 1973 CB ILE A 130 7.899 -2.251 -7.103 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.523 -0.966 -7.681 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.874 -2.984 -6.162 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.257 -0.085 -6.668 1.00 0.00 C ATOM 0 H ILE A 130 8.648 -2.673 -9.692 1.00 0.00 H new ATOM 0 HA ILE A 130 7.153 -4.227 -7.705 1.00 0.00 H new ATOM 0 HB ILE A 130 7.027 -1.886 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.222 -1.244 -8.470 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.734 -0.376 -8.147 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.244 -2.289 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.356 -3.809 -5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.713 -3.373 -6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.659 0.793 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.562 0.231 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.073 -0.650 -6.218 1.00 0.00 H new ATOM 1988 N SER A 131 6.138 -2.268 -9.986 1.00 0.00 N ATOM 1989 CA SER A 131 5.007 -1.932 -10.848 1.00 0.00 C ATOM 1990 C SER A 131 3.950 -3.041 -10.825 1.00 0.00 C ATOM 1991 O SER A 131 2.762 -2.727 -10.608 1.00 0.00 O ATOM 1992 CB SER A 131 5.494 -1.690 -12.278 1.00 0.00 C ATOM 1993 OG SER A 131 6.341 -0.562 -12.324 1.00 0.00 O ATOM 1994 OXT SER A 131 4.301 -4.222 -11.044 1.00 0.00 O ATOM 0 H SER A 131 7.032 -2.038 -10.420 1.00 0.00 H new ATOM 0 HA SER A 131 4.545 -1.020 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.027 -2.569 -12.641 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.641 -1.539 -12.939 1.00 0.00 H new ATOM 0 HG SER A 131 7.223 -0.800 -11.969 1.00 0.00 H new TER 2000 SER A 131