USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 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= 0.756 K(o=1.5,f=-2.5) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 146:sc= 0.721 (180deg=0) USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0.516 USER MOD Set 2.2: A 80 CYS SG : rot 87:sc= 0.568 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.274 K(o=1.6,f=-3.6!) USER MOD Set 3.2: A 15 SER OG : rot 80:sc= -0.109 USER MOD Set 3.3: A 34 SER OG : rot -57:sc= 1.47 USER MOD Set 4.1: A 33 THR OG1 : rot 154:sc= 0.745 USER MOD Set 4.2: A 73 TYR OH : rot -171:sc= 1.58 USER MOD Set 5.1: A 16 GLN : amide:sc= 1.7 K(o=6.6,f=-1.5!) USER MOD Set 5.2: A 23 LYS NZ :NH3+ 174:sc= 2.32 (180deg=1.1) USER MOD Set 5.3: A 60 GLN : amide:sc= 1.32 K(o=6.6,f=-2.4!) USER MOD Set 5.4: A 62 SER OG : rot -175:sc= 1.25 USER MOD Set 6.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 13 CYS SG : rot -110:sc= -0.314 USER MOD Set 7.1: A 5 MET CE :methyl -165:sc= -0.526 (180deg=-0.895) USER MOD Set 7.2: A 35 CYS SG : rot 30:sc= 0.449 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00263) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0312 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.2) USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 1.19 (180deg=0.961) USER MOD Single : A 8 CYS SG : rot -118:sc= 0.216 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= -0.181 (180deg=-0.181) USER MOD Single : A 24 THR OG1 : rot 85:sc= 1.09 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0783 USER MOD Single : A 40 SER OG : rot 11:sc= 1.03 USER MOD Single : A 43 HIS : no HD1:sc= -1.97 X(o=-2,f=-1.8) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00481 USER MOD Single : A 49 MET CE :methyl -145:sc= -1.17 (180deg=-2.98!) USER MOD Single : A 50 MET CE :methyl -118:sc= -3.48 (180deg=-13.4!) USER MOD Single : A 58 SER OG : rot -84:sc= 1.29 USER MOD Single : A 61 THR OG1 : rot -38:sc= 1.32 USER MOD Single : A 67 ASN : amide:sc= 1.01 K(o=1,f=-0.5) USER MOD Single : A 69 ASN : amide:sc= 0.995 K(o=0.99,f=-0.028) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.894 K(o=0.89,f=-7.2!) USER MOD Single : A 92 THR OG1 : rot -3:sc= 0.489 USER MOD Single : A 93 GLN : amide:sc= 0.864 K(o=0.86,f=-0.2) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.873 K(o=0.87,f=-1) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 118 GLN : amide:sc= 0.168 K(o=0.17,f=-3.1!) USER MOD Single : A 120 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.15) USER MOD Single : A 131 SER OG : rot 84:sc= 0.0539 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.704 0.197 -2.540 1.00 0.00 N ATOM 2 CA MET A 1 1.777 1.210 -2.694 1.00 0.00 C ATOM 3 C MET A 1 3.064 0.732 -2.018 1.00 0.00 C ATOM 4 O MET A 1 3.025 0.055 -0.989 1.00 0.00 O ATOM 5 CB MET A 1 1.330 2.592 -2.164 1.00 0.00 C ATOM 6 CG MET A 1 2.429 3.670 -2.195 1.00 0.00 C ATOM 7 SD MET A 1 1.823 5.374 -2.057 1.00 0.00 S ATOM 8 CE MET A 1 1.183 5.644 -3.738 1.00 0.00 C ATOM 0 H1 MET A 1 -0.173 0.664 -2.233 1.00 0.00 H new ATOM 0 H2 MET A 1 0.542 -0.279 -3.451 1.00 0.00 H new ATOM 0 H3 MET A 1 0.989 -0.506 -1.828 1.00 0.00 H new ATOM 0 HA MET A 1 1.982 1.331 -3.758 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.482 2.938 -2.755 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.978 2.478 -1.139 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.128 3.480 -1.381 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.989 3.572 -3.125 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.807 6.663 -3.825 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.984 5.490 -4.461 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.374 4.941 -3.937 1.00 0.00 H new ATOM 18 N LYS A 2 4.216 1.113 -2.581 1.00 0.00 N ATOM 19 CA LYS A 2 5.545 0.839 -2.029 1.00 0.00 C ATOM 20 C LYS A 2 6.218 2.182 -1.777 1.00 0.00 C ATOM 21 O LYS A 2 6.140 3.075 -2.617 1.00 0.00 O ATOM 22 CB LYS A 2 6.331 -0.026 -3.035 1.00 0.00 C ATOM 23 CG LYS A 2 5.765 -1.447 -3.226 1.00 0.00 C ATOM 24 CD LYS A 2 5.774 -2.242 -1.918 1.00 0.00 C ATOM 25 CE LYS A 2 5.826 -3.757 -2.144 1.00 0.00 C ATOM 26 NZ LYS A 2 6.118 -4.482 -0.882 1.00 0.00 N ATOM 0 H LYS A 2 4.249 1.635 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 2 5.497 0.287 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.344 0.480 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.366 -0.101 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.745 -1.384 -3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.353 -1.975 -3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.633 -1.939 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.882 -1.996 -1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.874 -4.099 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.591 -3.990 -2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.180 -5.502 -1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.022 -4.148 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.357 -4.305 -0.196 1.00 0.00 H new ATOM 40 N LYS A 3 6.848 2.363 -0.619 1.00 0.00 N ATOM 41 CA LYS A 3 7.536 3.614 -0.312 1.00 0.00 C ATOM 42 C LYS A 3 8.993 3.474 -0.679 1.00 0.00 C ATOM 43 O LYS A 3 9.602 2.462 -0.336 1.00 0.00 O ATOM 44 CB LYS A 3 7.343 3.989 1.163 1.00 0.00 C ATOM 45 CG LYS A 3 6.163 4.966 1.232 1.00 0.00 C ATOM 46 CD LYS A 3 5.810 5.332 2.671 1.00 0.00 C ATOM 47 CE LYS A 3 4.832 6.508 2.700 1.00 0.00 C ATOM 48 NZ LYS A 3 4.464 6.867 4.088 1.00 0.00 N ATOM 0 H LYS A 3 6.896 1.662 0.120 1.00 0.00 H new ATOM 0 HA LYS A 3 7.110 4.428 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.143 3.101 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.246 4.448 1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.409 5.871 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.294 4.521 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.368 4.471 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.716 5.591 3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.281 7.370 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.934 6.251 2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.911 7.747 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.895 6.103 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.327 7.003 4.652 1.00 0.00 H new ATOM 62 N VAL A 4 9.561 4.484 -1.324 1.00 0.00 N ATOM 63 CA VAL A 4 10.928 4.453 -1.793 1.00 0.00 C ATOM 64 C VAL A 4 11.703 5.602 -1.175 1.00 0.00 C ATOM 65 O VAL A 4 11.187 6.704 -0.978 1.00 0.00 O ATOM 66 CB VAL A 4 10.930 4.458 -3.330 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.315 5.696 -3.985 1.00 0.00 C ATOM 68 CG2 VAL A 4 12.344 4.277 -3.901 1.00 0.00 C ATOM 0 H VAL A 4 9.075 5.355 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 4 11.434 3.540 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 4 10.292 3.609 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.367 5.598 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.273 5.790 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.866 6.584 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.301 4.286 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.982 5.090 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.754 3.326 -3.562 1.00 0.00 H new ATOM 78 N MET A 5 12.963 5.317 -0.895 1.00 0.00 N ATOM 79 CA MET A 5 13.892 6.244 -0.292 1.00 0.00 C ATOM 80 C MET A 5 15.112 6.365 -1.199 1.00 0.00 C ATOM 81 O MET A 5 15.558 5.349 -1.729 1.00 0.00 O ATOM 82 CB MET A 5 14.215 5.728 1.115 1.00 0.00 C ATOM 83 CG MET A 5 15.426 6.418 1.727 1.00 0.00 C ATOM 84 SD MET A 5 15.359 8.232 1.845 1.00 0.00 S ATOM 85 CE MET A 5 13.900 8.518 2.881 1.00 0.00 C ATOM 0 H MET A 5 13.376 4.405 -1.089 1.00 0.00 H new ATOM 0 HA MET A 5 13.482 7.248 -0.186 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.350 5.879 1.761 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.397 4.654 1.072 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.576 6.017 2.729 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.304 6.147 1.141 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.600 9.563 2.807 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.083 7.881 2.542 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.138 8.281 3.918 1.00 0.00 H new ATOM 95 N PHE A 6 15.682 7.568 -1.330 1.00 0.00 N ATOM 96 CA PHE A 6 16.952 7.799 -2.015 1.00 0.00 C ATOM 97 C PHE A 6 17.908 8.492 -1.033 1.00 0.00 C ATOM 98 O PHE A 6 17.662 9.646 -0.686 1.00 0.00 O ATOM 99 CB PHE A 6 16.762 8.619 -3.293 1.00 0.00 C ATOM 100 CG PHE A 6 15.846 7.963 -4.307 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.366 7.048 -5.247 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.469 8.253 -4.296 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.520 6.437 -6.191 1.00 0.00 C ATOM 104 CE2 PHE A 6 13.628 7.611 -5.224 1.00 0.00 C ATOM 105 CZ PHE A 6 14.150 6.725 -6.176 1.00 0.00 C ATOM 0 H PHE A 6 15.264 8.420 -0.956 1.00 0.00 H new ATOM 0 HA PHE A 6 17.378 6.846 -2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.358 9.597 -3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.735 8.790 -3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.421 6.815 -5.242 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.063 8.958 -3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 6 15.924 5.751 -6.921 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.566 7.804 -5.202 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.494 6.263 -6.899 1.00 0.00 H new ATOM 115 N VAL A 7 18.976 7.832 -0.574 1.00 0.00 N ATOM 116 CA VAL A 7 19.882 8.340 0.462 1.00 0.00 C ATOM 117 C VAL A 7 21.235 8.636 -0.179 1.00 0.00 C ATOM 118 O VAL A 7 21.895 7.709 -0.641 1.00 0.00 O ATOM 119 CB VAL A 7 20.084 7.311 1.602 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.828 7.956 2.782 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.777 6.700 2.108 1.00 0.00 C ATOM 0 H VAL A 7 19.241 6.910 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 7 19.442 9.240 0.892 1.00 0.00 H new ATOM 0 HB VAL A 7 20.676 6.502 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.962 7.219 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.803 8.310 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.248 8.797 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.993 5.989 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.131 7.490 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.275 6.186 1.289 1.00 0.00 H new ATOM 131 N CYS A 8 21.684 9.892 -0.184 1.00 0.00 N ATOM 132 CA CYS A 8 23.006 10.240 -0.705 1.00 0.00 C ATOM 133 C CYS A 8 23.955 10.607 0.428 1.00 0.00 C ATOM 134 O CYS A 8 23.542 10.908 1.543 1.00 0.00 O ATOM 135 CB CYS A 8 22.843 11.339 -1.774 1.00 0.00 C ATOM 136 SG CYS A 8 24.403 11.910 -2.507 1.00 0.00 S ATOM 0 H CYS A 8 21.150 10.687 0.168 1.00 0.00 H new ATOM 0 HA CYS A 8 23.469 9.382 -1.193 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.198 10.963 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.333 12.192 -1.326 1.00 0.00 H new ATOM 0 HG CYS A 8 24.567 13.173 -2.248 1.00 0.00 H new ATOM 142 N LYS A 9 25.252 10.647 0.130 1.00 0.00 N ATOM 143 CA LYS A 9 26.275 11.186 1.027 1.00 0.00 C ATOM 144 C LYS A 9 26.009 12.663 1.380 1.00 0.00 C ATOM 145 O LYS A 9 26.589 13.176 2.335 1.00 0.00 O ATOM 146 CB LYS A 9 27.657 11.000 0.365 1.00 0.00 C ATOM 147 CG LYS A 9 28.650 10.275 1.281 1.00 0.00 C ATOM 148 CD LYS A 9 29.969 10.035 0.534 1.00 0.00 C ATOM 149 CE LYS A 9 30.997 9.363 1.455 1.00 0.00 C ATOM 150 NZ LYS A 9 32.334 9.251 0.815 1.00 0.00 N ATOM 0 H LYS A 9 25.628 10.302 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 9 26.247 10.641 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.541 10.435 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.062 11.975 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.832 10.869 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.229 9.324 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.790 9.407 -0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.364 10.983 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 9 31.085 9.936 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 9 30.642 8.369 1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.996 8.792 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 32.257 8.683 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 32.685 10.200 0.577 1.00 0.00 H new ATOM 164 N ARG A 10 25.146 13.344 0.617 1.00 0.00 N ATOM 165 CA ARG A 10 24.719 14.718 0.757 1.00 0.00 C ATOM 166 C ARG A 10 23.397 14.770 0.007 1.00 0.00 C ATOM 167 O ARG A 10 23.363 14.483 -1.188 1.00 0.00 O ATOM 168 CB ARG A 10 25.774 15.687 0.186 1.00 0.00 C ATOM 169 CG ARG A 10 26.354 15.380 -1.217 1.00 0.00 C ATOM 170 CD ARG A 10 27.482 16.380 -1.497 1.00 0.00 C ATOM 171 NE ARG A 10 28.251 15.993 -2.687 1.00 0.00 N ATOM 172 CZ ARG A 10 29.566 15.768 -2.777 1.00 0.00 C ATOM 173 NH1 ARG A 10 30.374 15.886 -1.724 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.052 15.409 -3.957 1.00 0.00 N ATOM 0 H ARG A 10 24.696 12.897 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 10 24.600 15.029 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.332 16.683 0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.605 15.729 0.890 1.00 0.00 H new ATOM 0 HG2 ARG A 10 26.733 14.359 -1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.576 15.462 -1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 10 27.062 17.376 -1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 10 28.145 16.435 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 10 27.717 15.882 -3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 10 29.993 16.155 -0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 10 31.373 15.707 -1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 10 29.428 15.313 -4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.050 15.229 -4.064 1.00 0.00 H new ATOM 188 N ASN A 11 22.301 15.036 0.714 1.00 0.00 N ATOM 189 CA ASN A 11 20.928 15.138 0.174 1.00 0.00 C ATOM 190 C ASN A 11 20.747 16.328 -0.807 1.00 0.00 C ATOM 191 O ASN A 11 19.738 17.030 -0.758 1.00 0.00 O ATOM 192 CB ASN A 11 19.901 15.215 1.324 1.00 0.00 C ATOM 193 CG ASN A 11 18.449 15.148 0.826 1.00 0.00 C ATOM 194 OD1 ASN A 11 17.623 15.966 1.210 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.101 14.203 -0.037 1.00 0.00 N ATOM 0 H ASN A 11 22.336 15.194 1.721 1.00 0.00 H new ATOM 0 HA ASN A 11 20.750 14.232 -0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.080 14.397 2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.049 16.143 1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.143 14.156 -0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.792 13.523 -0.355 1.00 0.00 H new ATOM 202 N SER A 12 21.710 16.612 -1.682 1.00 0.00 N ATOM 203 CA SER A 12 21.757 17.820 -2.499 1.00 0.00 C ATOM 204 C SER A 12 21.818 17.540 -4.001 1.00 0.00 C ATOM 205 O SER A 12 21.445 18.427 -4.774 1.00 0.00 O ATOM 206 CB SER A 12 22.974 18.640 -2.064 1.00 0.00 C ATOM 207 OG SER A 12 24.117 17.821 -1.875 1.00 0.00 O ATOM 0 H SER A 12 22.501 15.989 -1.846 1.00 0.00 H new ATOM 0 HA SER A 12 20.829 18.369 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.190 19.398 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.746 19.166 -1.137 1.00 0.00 H new ATOM 0 HG SER A 12 24.876 18.377 -1.599 1.00 0.00 H new ATOM 213 N CYS A 13 22.234 16.332 -4.413 1.00 0.00 N ATOM 214 CA CYS A 13 22.540 16.028 -5.810 1.00 0.00 C ATOM 215 C CYS A 13 21.888 14.714 -6.253 1.00 0.00 C ATOM 216 O CYS A 13 20.758 14.745 -6.744 1.00 0.00 O ATOM 217 CB CYS A 13 24.066 16.026 -6.021 1.00 0.00 C ATOM 218 SG CYS A 13 24.796 17.628 -5.596 1.00 0.00 S ATOM 0 H CYS A 13 22.366 15.541 -3.782 1.00 0.00 H new ATOM 0 HA CYS A 13 22.114 16.807 -6.443 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.518 15.245 -5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.290 15.787 -7.060 1.00 0.00 H new ATOM 0 HG CYS A 13 25.203 18.220 -6.679 1.00 0.00 H new ATOM 224 N ARG A 14 22.565 13.563 -6.084 1.00 0.00 N ATOM 225 CA ARG A 14 22.116 12.288 -6.674 1.00 0.00 C ATOM 226 C ARG A 14 20.687 11.962 -6.227 1.00 0.00 C ATOM 227 O ARG A 14 19.829 11.627 -7.043 1.00 0.00 O ATOM 228 CB ARG A 14 23.073 11.129 -6.315 1.00 0.00 C ATOM 229 CG ARG A 14 24.400 11.252 -7.077 1.00 0.00 C ATOM 230 CD ARG A 14 25.476 10.282 -6.576 1.00 0.00 C ATOM 231 NE ARG A 14 26.026 10.710 -5.284 1.00 0.00 N ATOM 232 CZ ARG A 14 27.013 10.121 -4.602 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.743 9.142 -5.131 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.317 10.570 -3.391 1.00 0.00 N ATOM 0 H ARG A 14 23.426 13.490 -5.543 1.00 0.00 H new ATOM 0 HA ARG A 14 22.126 12.403 -7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.265 11.131 -5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.600 10.176 -6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.221 11.070 -8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.770 12.273 -6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 14 25.050 9.283 -6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.279 10.216 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 14 25.612 11.542 -4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 14 27.555 8.822 -6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 14 28.490 8.711 -4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.800 11.354 -2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.068 10.131 -2.858 1.00 0.00 H new ATOM 248 N SER A 15 20.433 12.097 -4.924 1.00 0.00 N ATOM 249 CA SER A 15 19.180 11.723 -4.283 1.00 0.00 C ATOM 250 C SER A 15 18.034 12.644 -4.707 1.00 0.00 C ATOM 251 O SER A 15 16.905 12.190 -4.885 1.00 0.00 O ATOM 252 CB SER A 15 19.421 11.780 -2.768 1.00 0.00 C ATOM 253 OG SER A 15 20.061 12.996 -2.396 1.00 0.00 O ATOM 0 H SER A 15 21.116 12.481 -4.271 1.00 0.00 H new ATOM 0 HA SER A 15 18.879 10.720 -4.585 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.471 11.690 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 15 20.036 10.934 -2.462 1.00 0.00 H new ATOM 0 HG SER A 15 19.397 13.715 -2.351 1.00 0.00 H new ATOM 259 N GLN A 16 18.327 13.937 -4.871 1.00 0.00 N ATOM 260 CA GLN A 16 17.331 14.962 -5.160 1.00 0.00 C ATOM 261 C GLN A 16 16.724 14.723 -6.539 1.00 0.00 C ATOM 262 O GLN A 16 15.500 14.704 -6.687 1.00 0.00 O ATOM 263 CB GLN A 16 18.013 16.340 -5.085 1.00 0.00 C ATOM 264 CG GLN A 16 18.214 16.806 -3.637 1.00 0.00 C ATOM 265 CD GLN A 16 16.918 17.210 -2.925 1.00 0.00 C ATOM 266 OE1 GLN A 16 15.851 17.351 -3.523 1.00 0.00 O ATOM 267 NE2 GLN A 16 17.003 17.434 -1.629 1.00 0.00 N ATOM 0 H GLN A 16 19.277 14.302 -4.805 1.00 0.00 H new ATOM 0 HA GLN A 16 16.522 14.923 -4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.979 16.294 -5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.409 17.073 -5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.692 16.006 -3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.899 17.654 -3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.894 17.313 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.178 17.729 -1.107 1.00 0.00 H new ATOM 276 N MET A 17 17.582 14.489 -7.536 1.00 0.00 N ATOM 277 CA MET A 17 17.133 14.178 -8.884 1.00 0.00 C ATOM 278 C MET A 17 16.363 12.862 -8.904 1.00 0.00 C ATOM 279 O MET A 17 15.274 12.807 -9.475 1.00 0.00 O ATOM 280 CB MET A 17 18.329 14.112 -9.832 1.00 0.00 C ATOM 281 CG MET A 17 18.839 15.513 -10.191 1.00 0.00 C ATOM 282 SD MET A 17 19.955 15.572 -11.618 1.00 0.00 S ATOM 283 CE MET A 17 21.442 14.848 -10.890 1.00 0.00 C ATOM 0 H MET A 17 18.596 14.511 -7.427 1.00 0.00 H new ATOM 0 HA MET A 17 16.462 14.969 -9.219 1.00 0.00 H new ATOM 0 HB2 MET A 17 19.132 13.539 -9.367 1.00 0.00 H new ATOM 0 HB3 MET A 17 18.045 13.583 -10.742 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.982 16.156 -10.391 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.355 15.929 -9.326 1.00 0.00 H new ATOM 0 HE1 MET A 17 22.233 14.810 -11.639 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.769 15.458 -10.048 1.00 0.00 H new ATOM 0 HE3 MET A 17 21.223 13.838 -10.543 1.00 0.00 H new ATOM 293 N ALA A 18 16.896 11.824 -8.246 1.00 0.00 N ATOM 294 CA ALA A 18 16.246 10.523 -8.194 1.00 0.00 C ATOM 295 C ALA A 18 14.818 10.650 -7.665 1.00 0.00 C ATOM 296 O ALA A 18 13.897 10.057 -8.228 1.00 0.00 O ATOM 297 CB ALA A 18 17.059 9.568 -7.319 1.00 0.00 C ATOM 0 H ALA A 18 17.781 11.869 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 18 16.196 10.119 -9.205 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.566 8.597 -7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.059 9.453 -7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.133 9.973 -6.310 1.00 0.00 H new ATOM 303 N GLU A 19 14.630 11.465 -6.624 1.00 0.00 N ATOM 304 CA GLU A 19 13.313 11.665 -6.032 1.00 0.00 C ATOM 305 C GLU A 19 12.371 12.350 -7.022 1.00 0.00 C ATOM 306 O GLU A 19 11.225 11.916 -7.181 1.00 0.00 O ATOM 307 CB GLU A 19 13.396 12.423 -4.691 1.00 0.00 C ATOM 308 CG GLU A 19 12.057 13.091 -4.320 1.00 0.00 C ATOM 309 CD GLU A 19 11.922 13.569 -2.869 1.00 0.00 C ATOM 310 OE1 GLU A 19 12.941 13.852 -2.205 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.763 13.678 -2.408 1.00 0.00 O ATOM 0 H GLU A 19 15.377 11.996 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 19 12.896 10.684 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.687 11.731 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.175 13.183 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.906 13.946 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.253 12.385 -4.525 1.00 0.00 H new ATOM 318 N GLY A 20 12.834 13.419 -7.671 1.00 0.00 N ATOM 319 CA GLY A 20 11.990 14.190 -8.566 1.00 0.00 C ATOM 320 C GLY A 20 11.545 13.336 -9.756 1.00 0.00 C ATOM 321 O GLY A 20 10.386 13.418 -10.172 1.00 0.00 O ATOM 0 H GLY A 20 13.790 13.766 -7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.116 14.555 -8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.533 15.065 -8.922 1.00 0.00 H new ATOM 325 N PHE A 21 12.429 12.473 -10.278 1.00 0.00 N ATOM 326 CA PHE A 21 12.048 11.545 -11.335 1.00 0.00 C ATOM 327 C PHE A 21 11.018 10.572 -10.758 1.00 0.00 C ATOM 328 O PHE A 21 9.951 10.408 -11.333 1.00 0.00 O ATOM 329 CB PHE A 21 13.254 10.785 -11.924 1.00 0.00 C ATOM 330 CG PHE A 21 14.412 11.623 -12.448 1.00 0.00 C ATOM 331 CD1 PHE A 21 14.195 12.781 -13.223 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.731 11.244 -12.137 1.00 0.00 C ATOM 333 CE1 PHE A 21 15.271 13.628 -13.545 1.00 0.00 C ATOM 334 CE2 PHE A 21 16.812 12.060 -12.509 1.00 0.00 C ATOM 335 CZ PHE A 21 16.577 13.278 -13.168 1.00 0.00 C ATOM 0 H PHE A 21 13.403 12.404 -9.984 1.00 0.00 H new ATOM 0 HA PHE A 21 11.622 12.111 -12.164 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.641 10.116 -11.155 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.894 10.158 -12.740 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.200 13.018 -13.570 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.913 10.320 -11.609 1.00 0.00 H new ATOM 0 HE1 PHE A 21 15.092 14.548 -14.082 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.823 11.751 -12.289 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.399 13.944 -13.384 1.00 0.00 H new ATOM 345 N ALA A 22 11.291 9.966 -9.602 1.00 0.00 N ATOM 346 CA ALA A 22 10.481 8.902 -9.023 1.00 0.00 C ATOM 347 C ALA A 22 9.035 9.306 -8.807 1.00 0.00 C ATOM 348 O ALA A 22 8.151 8.525 -9.156 1.00 0.00 O ATOM 349 CB ALA A 22 11.111 8.424 -7.717 1.00 0.00 C ATOM 0 H ALA A 22 12.101 10.209 -9.032 1.00 0.00 H new ATOM 0 HA ALA A 22 10.463 8.083 -9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.501 7.629 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.114 8.046 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.168 9.256 -7.015 1.00 0.00 H new ATOM 355 N LYS A 23 8.756 10.508 -8.294 1.00 0.00 N ATOM 356 CA LYS A 23 7.366 10.930 -8.205 1.00 0.00 C ATOM 357 C LYS A 23 6.773 11.146 -9.584 1.00 0.00 C ATOM 358 O LYS A 23 5.636 10.765 -9.806 1.00 0.00 O ATOM 359 CB LYS A 23 7.137 12.134 -7.287 1.00 0.00 C ATOM 360 CG LYS A 23 7.940 13.400 -7.618 1.00 0.00 C ATOM 361 CD LYS A 23 7.908 14.372 -6.429 1.00 0.00 C ATOM 362 CE LYS A 23 8.739 13.806 -5.275 1.00 0.00 C ATOM 363 NZ LYS A 23 8.912 14.766 -4.160 1.00 0.00 N ATOM 0 H LYS A 23 9.445 11.177 -7.949 1.00 0.00 H new ATOM 0 HA LYS A 23 6.833 10.108 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.077 12.385 -7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.373 11.836 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.971 13.135 -7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.525 13.882 -8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.301 15.343 -6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.880 14.531 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.259 12.903 -4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.720 13.513 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.394 14.295 -3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.483 15.573 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.980 15.105 -3.846 1.00 0.00 H new ATOM 377 N THR A 24 7.502 11.679 -10.550 1.00 0.00 N ATOM 378 CA THR A 24 6.891 11.924 -11.834 1.00 0.00 C ATOM 379 C THR A 24 6.557 10.596 -12.533 1.00 0.00 C ATOM 380 O THR A 24 5.485 10.430 -13.118 1.00 0.00 O ATOM 381 CB THR A 24 7.877 12.773 -12.648 1.00 0.00 C ATOM 382 OG1 THR A 24 8.264 13.927 -11.921 1.00 0.00 O ATOM 383 CG2 THR A 24 7.226 13.218 -13.947 1.00 0.00 C ATOM 0 H THR A 24 8.485 11.941 -10.471 1.00 0.00 H new ATOM 0 HA THR A 24 5.947 12.458 -11.728 1.00 0.00 H new ATOM 0 HB THR A 24 8.756 12.163 -12.856 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.006 13.702 -11.322 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.931 13.820 -14.520 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.940 12.342 -14.529 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.339 13.811 -13.725 1.00 0.00 H new ATOM 391 N LEU A 25 7.486 9.646 -12.450 1.00 0.00 N ATOM 392 CA LEU A 25 7.438 8.355 -13.108 1.00 0.00 C ATOM 393 C LEU A 25 6.464 7.410 -12.416 1.00 0.00 C ATOM 394 O LEU A 25 5.766 6.652 -13.091 1.00 0.00 O ATOM 395 CB LEU A 25 8.843 7.738 -13.064 1.00 0.00 C ATOM 396 CG LEU A 25 9.910 8.511 -13.860 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.270 7.923 -13.493 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.669 8.415 -15.368 1.00 0.00 C ATOM 0 H LEU A 25 8.332 9.768 -11.893 1.00 0.00 H new ATOM 0 HA LEU A 25 7.100 8.499 -14.134 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.163 7.670 -12.024 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.790 6.719 -13.448 1.00 0.00 H new ATOM 0 HG LEU A 25 9.865 9.570 -13.606 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.053 8.448 -14.040 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.438 8.035 -12.422 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.292 6.865 -13.755 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.442 8.973 -15.896 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.701 7.370 -15.676 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.692 8.834 -15.608 1.00 0.00 H new ATOM 410 N GLY A 26 6.423 7.459 -11.083 1.00 0.00 N ATOM 411 CA GLY A 26 5.722 6.468 -10.282 1.00 0.00 C ATOM 412 C GLY A 26 4.775 6.966 -9.196 1.00 0.00 C ATOM 413 O GLY A 26 4.184 6.106 -8.538 1.00 0.00 O ATOM 0 H GLY A 26 6.877 8.189 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.149 5.835 -10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.470 5.832 -9.807 1.00 0.00 H new ATOM 417 N ALA A 27 4.583 8.275 -8.983 1.00 0.00 N ATOM 418 CA ALA A 27 3.521 8.760 -8.100 1.00 0.00 C ATOM 419 C ALA A 27 2.178 8.208 -8.599 1.00 0.00 C ATOM 420 O ALA A 27 1.688 8.609 -9.658 1.00 0.00 O ATOM 421 CB ALA A 27 3.517 10.297 -7.983 1.00 0.00 C ATOM 0 H ALA A 27 5.147 9.011 -9.409 1.00 0.00 H new ATOM 0 HA ALA A 27 3.701 8.396 -7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.712 10.609 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.472 10.634 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.364 10.737 -8.969 1.00 0.00 H new ATOM 427 N GLY A 28 1.629 7.242 -7.858 1.00 0.00 N ATOM 428 CA GLY A 28 0.477 6.436 -8.254 1.00 0.00 C ATOM 429 C GLY A 28 0.653 4.970 -7.841 1.00 0.00 C ATOM 430 O GLY A 28 -0.331 4.315 -7.494 1.00 0.00 O ATOM 0 H GLY A 28 1.988 6.993 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.426 6.839 -7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.341 6.498 -9.334 1.00 0.00 H new ATOM 434 N LYS A 29 1.900 4.472 -7.796 1.00 0.00 N ATOM 435 CA LYS A 29 2.252 3.160 -7.233 1.00 0.00 C ATOM 436 C LYS A 29 3.294 3.287 -6.131 1.00 0.00 C ATOM 437 O LYS A 29 3.351 2.430 -5.247 1.00 0.00 O ATOM 438 CB LYS A 29 2.728 2.175 -8.317 1.00 0.00 C ATOM 439 CG LYS A 29 4.099 2.482 -8.956 1.00 0.00 C ATOM 440 CD LYS A 29 4.029 3.303 -10.240 1.00 0.00 C ATOM 441 CE LYS A 29 3.583 2.419 -11.414 1.00 0.00 C ATOM 442 NZ LYS A 29 3.539 3.154 -12.704 1.00 0.00 N ATOM 0 H LYS A 29 2.707 4.981 -8.157 1.00 0.00 H new ATOM 0 HA LYS A 29 1.340 2.754 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.768 1.177 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.979 2.147 -9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.712 3.017 -8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.605 1.541 -9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.331 4.130 -10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.005 3.739 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.265 1.574 -11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.595 2.010 -11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.232 2.510 -13.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.868 3.945 -12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.486 3.522 -12.926 1.00 0.00 H new ATOM 456 N ILE A 30 4.083 4.361 -6.158 1.00 0.00 N ATOM 457 CA ILE A 30 5.070 4.650 -5.135 1.00 0.00 C ATOM 458 C ILE A 30 4.871 6.040 -4.555 1.00 0.00 C ATOM 459 O ILE A 30 4.295 6.925 -5.191 1.00 0.00 O ATOM 460 CB ILE A 30 6.511 4.478 -5.668 1.00 0.00 C ATOM 461 CG1 ILE A 30 6.816 5.309 -6.933 1.00 0.00 C ATOM 462 CG2 ILE A 30 6.823 3.000 -5.927 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.309 5.576 -7.152 1.00 0.00 C ATOM 0 H ILE A 30 4.049 5.058 -6.902 1.00 0.00 H new ATOM 0 HA ILE A 30 4.925 3.925 -4.334 1.00 0.00 H new ATOM 0 HB ILE A 30 7.160 4.863 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.418 4.788 -7.804 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.292 6.262 -6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.842 2.903 -6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.723 2.439 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.126 2.605 -6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.444 6.165 -8.059 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.709 6.125 -6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.837 4.628 -7.253 1.00 0.00 H new ATOM 475 N ALA A 31 5.399 6.212 -3.347 1.00 0.00 N ATOM 476 CA ALA A 31 5.549 7.478 -2.660 1.00 0.00 C ATOM 477 C ALA A 31 7.029 7.558 -2.306 1.00 0.00 C ATOM 478 O ALA A 31 7.595 6.586 -1.800 1.00 0.00 O ATOM 479 CB ALA A 31 4.670 7.505 -1.407 1.00 0.00 C ATOM 0 H ALA A 31 5.750 5.428 -2.798 1.00 0.00 H new ATOM 0 HA ALA A 31 5.239 8.327 -3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.791 8.461 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.626 7.375 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.966 6.698 -0.737 1.00 0.00 H new ATOM 485 N VAL A 32 7.663 8.685 -2.607 1.00 0.00 N ATOM 486 CA VAL A 32 9.097 8.837 -2.518 1.00 0.00 C ATOM 487 C VAL A 32 9.493 9.897 -1.490 1.00 0.00 C ATOM 488 O VAL A 32 8.747 10.849 -1.241 1.00 0.00 O ATOM 489 CB VAL A 32 9.588 9.192 -3.931 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.833 10.335 -4.621 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.083 9.507 -3.924 1.00 0.00 C ATOM 0 H VAL A 32 7.182 9.527 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 32 9.563 7.915 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 32 9.381 8.298 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.257 10.506 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.780 10.069 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.925 11.243 -4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.407 9.755 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.273 10.353 -3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.636 8.638 -3.569 1.00 0.00 H new ATOM 501 N THR A 33 10.689 9.747 -0.920 1.00 0.00 N ATOM 502 CA THR A 33 11.346 10.760 -0.124 1.00 0.00 C ATOM 503 C THR A 33 12.848 10.565 -0.345 1.00 0.00 C ATOM 504 O THR A 33 13.313 9.429 -0.353 1.00 0.00 O ATOM 505 CB THR A 33 10.992 10.605 1.368 1.00 0.00 C ATOM 506 OG1 THR A 33 9.623 10.305 1.588 1.00 0.00 O ATOM 507 CG2 THR A 33 11.330 11.860 2.171 1.00 0.00 C ATOM 0 H THR A 33 11.235 8.890 -1.007 1.00 0.00 H new ATOM 0 HA THR A 33 11.026 11.760 -0.418 1.00 0.00 H new ATOM 0 HB THR A 33 11.599 9.766 1.707 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.525 9.826 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.064 11.706 3.217 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.398 12.064 2.095 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.770 12.707 1.775 1.00 0.00 H new ATOM 515 N SER A 34 13.623 11.616 -0.583 1.00 0.00 N ATOM 516 CA SER A 34 15.070 11.531 -0.559 1.00 0.00 C ATOM 517 C SER A 34 15.545 11.996 0.812 1.00 0.00 C ATOM 518 O SER A 34 14.833 12.712 1.524 1.00 0.00 O ATOM 519 CB SER A 34 15.699 12.351 -1.684 1.00 0.00 C ATOM 520 OG SER A 34 15.418 13.731 -1.602 1.00 0.00 O ATOM 0 H SER A 34 13.264 12.546 -0.797 1.00 0.00 H new ATOM 0 HA SER A 34 15.384 10.501 -0.727 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.779 12.207 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.342 11.972 -2.642 1.00 0.00 H new ATOM 0 HG SER A 34 14.448 13.868 -1.598 1.00 0.00 H new ATOM 526 N CYS A 35 16.757 11.601 1.175 1.00 0.00 N ATOM 527 CA CYS A 35 17.430 11.976 2.394 1.00 0.00 C ATOM 528 C CYS A 35 18.922 11.884 2.085 1.00 0.00 C ATOM 529 O CYS A 35 19.338 11.703 0.934 1.00 0.00 O ATOM 530 CB CYS A 35 17.016 11.015 3.524 1.00 0.00 C ATOM 531 SG CYS A 35 15.470 11.546 4.304 1.00 0.00 S ATOM 0 H CYS A 35 17.319 10.980 0.593 1.00 0.00 H new ATOM 0 HA CYS A 35 17.173 12.981 2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 35 16.897 10.008 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 35 17.807 10.968 4.273 1.00 0.00 H new ATOM 0 HG CYS A 35 14.739 12.177 3.434 1.00 0.00 H new ATOM 537 N GLY A 36 19.755 11.991 3.105 1.00 0.00 N ATOM 538 CA GLY A 36 21.159 11.702 2.963 1.00 0.00 C ATOM 539 C GLY A 36 21.758 11.397 4.312 1.00 0.00 C ATOM 540 O GLY A 36 21.146 11.710 5.338 1.00 0.00 O ATOM 0 H GLY A 36 19.475 12.278 4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.299 10.854 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.671 12.552 2.512 1.00 0.00 H new ATOM 544 N LEU A 37 22.960 10.814 4.293 1.00 0.00 N ATOM 545 CA LEU A 37 23.775 10.630 5.495 1.00 0.00 C ATOM 546 C LEU A 37 23.935 11.960 6.239 1.00 0.00 C ATOM 547 O LEU A 37 24.027 11.975 7.466 1.00 0.00 O ATOM 548 CB LEU A 37 25.149 10.030 5.145 1.00 0.00 C ATOM 549 CG LEU A 37 25.122 8.523 4.817 1.00 0.00 C ATOM 550 CD1 LEU A 37 26.498 8.080 4.308 1.00 0.00 C ATOM 551 CD2 LEU A 37 24.751 7.673 6.042 1.00 0.00 C ATOM 0 H LEU A 37 23.395 10.456 3.443 1.00 0.00 H new ATOM 0 HA LEU A 37 23.262 9.926 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.560 10.568 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.828 10.195 5.982 1.00 0.00 H new ATOM 0 HG LEU A 37 24.361 8.371 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.475 7.015 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 37 26.751 8.641 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 37 27.248 8.269 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 37 24.744 6.619 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 37 25.483 7.836 6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.762 7.961 6.399 1.00 0.00 H new ATOM 563 N GLU A 38 23.919 13.071 5.500 1.00 0.00 N ATOM 564 CA GLU A 38 23.831 14.426 6.006 1.00 0.00 C ATOM 565 C GLU A 38 22.956 15.195 5.012 1.00 0.00 C ATOM 566 O GLU A 38 22.947 14.897 3.807 1.00 0.00 O ATOM 567 CB GLU A 38 25.225 15.078 6.076 1.00 0.00 C ATOM 568 CG GLU A 38 26.194 14.464 7.102 1.00 0.00 C ATOM 569 CD GLU A 38 25.733 14.568 8.573 1.00 0.00 C ATOM 570 OE1 GLU A 38 24.890 15.428 8.916 1.00 0.00 O ATOM 571 OE2 GLU A 38 26.270 13.821 9.423 1.00 0.00 O ATOM 0 H GLU A 38 23.970 13.039 4.482 1.00 0.00 H new ATOM 0 HA GLU A 38 23.414 14.436 7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.684 15.020 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.101 16.136 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.343 13.413 6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.163 14.954 7.004 1.00 0.00 H new ATOM 578 N SER A 39 22.212 16.180 5.507 1.00 0.00 N ATOM 579 CA SER A 39 21.504 17.140 4.675 1.00 0.00 C ATOM 580 C SER A 39 22.512 18.110 4.037 1.00 0.00 C ATOM 581 O SER A 39 23.603 18.341 4.570 1.00 0.00 O ATOM 582 CB SER A 39 20.467 17.884 5.535 1.00 0.00 C ATOM 583 OG SER A 39 20.923 18.090 6.867 1.00 0.00 O ATOM 0 H SER A 39 22.084 16.333 6.507 1.00 0.00 H new ATOM 0 HA SER A 39 20.977 16.629 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.241 18.847 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.538 17.315 5.555 1.00 0.00 H new ATOM 0 HG SER A 39 20.236 18.567 7.378 1.00 0.00 H new ATOM 589 N SER A 40 22.154 18.695 2.894 1.00 0.00 N ATOM 590 CA SER A 40 22.859 19.795 2.239 1.00 0.00 C ATOM 591 C SER A 40 21.852 20.451 1.294 1.00 0.00 C ATOM 592 O SER A 40 20.980 19.756 0.767 1.00 0.00 O ATOM 593 CB SER A 40 24.061 19.264 1.449 1.00 0.00 C ATOM 594 OG SER A 40 25.063 18.768 2.318 1.00 0.00 O ATOM 0 H SER A 40 21.326 18.401 2.376 1.00 0.00 H new ATOM 0 HA SER A 40 23.240 20.509 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.736 18.472 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.474 20.060 0.830 1.00 0.00 H new ATOM 0 HG SER A 40 24.704 18.703 3.228 1.00 0.00 H new ATOM 600 N ARG A 41 21.938 21.770 1.086 1.00 0.00 N ATOM 601 CA ARG A 41 20.992 22.503 0.242 1.00 0.00 C ATOM 602 C ARG A 41 21.004 21.927 -1.171 1.00 0.00 C ATOM 603 O ARG A 41 22.046 21.470 -1.641 1.00 0.00 O ATOM 604 CB ARG A 41 21.284 24.016 0.260 1.00 0.00 C ATOM 605 CG ARG A 41 22.632 24.417 -0.368 1.00 0.00 C ATOM 606 CD ARG A 41 22.844 25.933 -0.275 1.00 0.00 C ATOM 607 NE ARG A 41 24.123 26.338 -0.886 1.00 0.00 N ATOM 608 CZ ARG A 41 24.555 27.599 -1.027 1.00 0.00 C ATOM 609 NH1 ARG A 41 23.818 28.622 -0.598 1.00 0.00 N ATOM 610 NH2 ARG A 41 25.731 27.832 -1.601 1.00 0.00 N ATOM 0 H ARG A 41 22.664 22.356 1.498 1.00 0.00 H new ATOM 0 HA ARG A 41 19.987 22.379 0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.484 24.533 -0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.261 24.365 1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.445 23.899 0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.660 24.104 -1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.022 26.448 -0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.825 26.241 0.771 1.00 0.00 H new ATOM 0 HE ARG A 41 24.731 25.595 -1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 41 22.915 28.450 -0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 41 24.157 29.577 -0.711 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.300 27.053 -1.932 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.064 28.790 -1.711 1.00 0.00 H new ATOM 624 N VAL A 42 19.858 21.963 -1.846 1.00 0.00 N ATOM 625 CA VAL A 42 19.740 21.425 -3.198 1.00 0.00 C ATOM 626 C VAL A 42 20.714 22.185 -4.101 1.00 0.00 C ATOM 627 O VAL A 42 20.745 23.419 -4.092 1.00 0.00 O ATOM 628 CB VAL A 42 18.291 21.503 -3.718 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.176 20.743 -5.050 1.00 0.00 C ATOM 630 CG2 VAL A 42 17.300 20.905 -2.708 1.00 0.00 C ATOM 0 H VAL A 42 18.995 22.361 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 42 19.998 20.366 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 42 18.043 22.555 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.150 20.800 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.847 21.190 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.449 19.699 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.288 20.976 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.548 19.858 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.360 21.456 -1.769 1.00 0.00 H new ATOM 640 N HIS A 43 21.524 21.446 -4.857 1.00 0.00 N ATOM 641 CA HIS A 43 22.490 22.020 -5.778 1.00 0.00 C ATOM 642 C HIS A 43 21.732 22.654 -6.958 1.00 0.00 C ATOM 643 O HIS A 43 20.777 22.044 -7.436 1.00 0.00 O ATOM 644 CB HIS A 43 23.435 20.891 -6.190 1.00 0.00 C ATOM 645 CG HIS A 43 24.730 21.387 -6.764 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.045 21.463 -8.096 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.802 21.873 -6.064 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.287 21.964 -8.200 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.790 22.240 -6.986 1.00 0.00 N ATOM 0 H HIS A 43 21.525 20.426 -4.844 1.00 0.00 H new ATOM 0 HA HIS A 43 23.086 22.817 -5.334 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.645 20.266 -5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.937 20.259 -6.925 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.873 21.958 -4.990 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.809 22.123 -9.132 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.706 22.637 -6.778 1.00 0.00 H new ATOM 657 N PRO A 44 22.124 23.829 -7.482 1.00 0.00 N ATOM 658 CA PRO A 44 21.299 24.573 -8.434 1.00 0.00 C ATOM 659 C PRO A 44 21.212 23.910 -9.804 1.00 0.00 C ATOM 660 O PRO A 44 20.140 23.860 -10.404 1.00 0.00 O ATOM 661 CB PRO A 44 21.925 25.969 -8.495 1.00 0.00 C ATOM 662 CG PRO A 44 23.402 25.725 -8.178 1.00 0.00 C ATOM 663 CD PRO A 44 23.391 24.507 -7.250 1.00 0.00 C ATOM 0 HA PRO A 44 20.260 24.609 -8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 44 21.797 26.421 -9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 44 21.467 26.644 -7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.977 25.531 -9.083 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.854 26.591 -7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.231 23.846 -7.465 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.484 24.811 -6.208 1.00 0.00 H new ATOM 671 N THR A 45 22.304 23.337 -10.294 1.00 0.00 N ATOM 672 CA THR A 45 22.330 22.695 -11.600 1.00 0.00 C ATOM 673 C THR A 45 21.471 21.417 -11.622 1.00 0.00 C ATOM 674 O THR A 45 21.055 20.965 -12.691 1.00 0.00 O ATOM 675 CB THR A 45 23.807 22.442 -11.939 1.00 0.00 C ATOM 676 OG1 THR A 45 24.574 23.604 -11.658 1.00 0.00 O ATOM 677 CG2 THR A 45 24.065 22.008 -13.380 1.00 0.00 C ATOM 0 H THR A 45 23.194 23.305 -9.798 1.00 0.00 H new ATOM 0 HA THR A 45 21.885 23.333 -12.364 1.00 0.00 H new ATOM 0 HB THR A 45 24.109 21.605 -11.310 1.00 0.00 H new ATOM 0 HG1 THR A 45 25.515 23.435 -11.875 1.00 0.00 H new ATOM 0 HG21 THR A 45 25.134 21.853 -13.527 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.532 21.079 -13.581 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.714 22.783 -14.062 1.00 0.00 H new ATOM 685 N ALA A 46 21.124 20.869 -10.448 1.00 0.00 N ATOM 686 CA ALA A 46 20.166 19.779 -10.346 1.00 0.00 C ATOM 687 C ALA A 46 18.824 20.200 -10.930 1.00 0.00 C ATOM 688 O ALA A 46 18.175 19.416 -11.623 1.00 0.00 O ATOM 689 CB ALA A 46 19.958 19.424 -8.876 1.00 0.00 C ATOM 0 H ALA A 46 21.503 21.173 -9.551 1.00 0.00 H new ATOM 0 HA ALA A 46 20.554 18.922 -10.896 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.240 18.607 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.908 19.116 -8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.577 20.295 -8.342 1.00 0.00 H new ATOM 695 N ILE A 47 18.407 21.444 -10.662 1.00 0.00 N ATOM 696 CA ILE A 47 17.143 21.933 -11.133 1.00 0.00 C ATOM 697 C ILE A 47 17.179 21.935 -12.660 1.00 0.00 C ATOM 698 O ILE A 47 16.223 21.483 -13.280 1.00 0.00 O ATOM 699 CB ILE A 47 16.845 23.312 -10.510 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.607 23.186 -8.990 1.00 0.00 C ATOM 701 CG2 ILE A 47 15.603 23.919 -11.157 1.00 0.00 C ATOM 702 CD1 ILE A 47 17.856 23.467 -8.162 1.00 0.00 C ATOM 0 H ILE A 47 18.943 22.119 -10.117 1.00 0.00 H new ATOM 0 HA ILE A 47 16.319 21.290 -10.823 1.00 0.00 H new ATOM 0 HB ILE A 47 17.707 23.955 -10.685 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.819 23.878 -8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.249 22.181 -8.767 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.400 24.893 -10.711 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.772 24.038 -12.227 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.750 23.260 -10.995 1.00 0.00 H new ATOM 0 HD11 ILE A 47 17.622 23.362 -7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 47 18.639 22.758 -8.432 1.00 0.00 H new ATOM 0 HD13 ILE A 47 18.202 24.482 -8.358 1.00 0.00 H new ATOM 714 N ALA A 48 18.293 22.362 -13.262 1.00 0.00 N ATOM 715 CA ALA A 48 18.424 22.456 -14.702 1.00 0.00 C ATOM 716 C ALA A 48 18.269 21.100 -15.390 1.00 0.00 C ATOM 717 O ALA A 48 17.656 21.026 -16.449 1.00 0.00 O ATOM 718 CB ALA A 48 19.759 23.103 -15.073 1.00 0.00 C ATOM 0 H ALA A 48 19.128 22.651 -12.753 1.00 0.00 H new ATOM 0 HA ALA A 48 17.611 23.087 -15.061 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.843 23.167 -16.158 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.809 24.104 -14.645 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.577 22.499 -14.680 1.00 0.00 H new ATOM 724 N MET A 49 18.779 20.026 -14.784 1.00 0.00 N ATOM 725 CA MET A 49 18.597 18.668 -15.301 1.00 0.00 C ATOM 726 C MET A 49 17.124 18.281 -15.326 1.00 0.00 C ATOM 727 O MET A 49 16.587 17.748 -16.301 1.00 0.00 O ATOM 728 CB MET A 49 19.359 17.665 -14.425 1.00 0.00 C ATOM 729 CG MET A 49 20.838 17.631 -14.769 1.00 0.00 C ATOM 730 SD MET A 49 21.157 17.209 -16.508 1.00 0.00 S ATOM 731 CE MET A 49 22.107 18.660 -17.068 1.00 0.00 C ATOM 0 H MET A 49 19.327 20.072 -13.925 1.00 0.00 H new ATOM 0 HA MET A 49 18.985 18.646 -16.319 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.235 17.931 -13.375 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.932 16.670 -14.554 1.00 0.00 H new ATOM 0 HG2 MET A 49 21.278 18.604 -14.551 1.00 0.00 H new ATOM 0 HG3 MET A 49 21.337 16.905 -14.128 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.856 18.881 -18.106 1.00 0.00 H new ATOM 0 HE2 MET A 49 21.860 19.519 -16.444 1.00 0.00 H new ATOM 0 HE3 MET A 49 23.174 18.449 -16.989 1.00 0.00 H new ATOM 741 N MET A 50 16.450 18.549 -14.221 1.00 0.00 N ATOM 742 CA MET A 50 15.058 18.194 -14.087 1.00 0.00 C ATOM 743 C MET A 50 14.217 19.076 -14.995 1.00 0.00 C ATOM 744 O MET A 50 13.272 18.572 -15.590 1.00 0.00 O ATOM 745 CB MET A 50 14.688 18.227 -12.608 1.00 0.00 C ATOM 746 CG MET A 50 15.501 17.108 -11.932 1.00 0.00 C ATOM 747 SD MET A 50 14.634 16.221 -10.622 1.00 0.00 S ATOM 748 CE MET A 50 13.322 15.473 -11.588 1.00 0.00 C ATOM 0 H MET A 50 16.850 19.012 -13.405 1.00 0.00 H new ATOM 0 HA MET A 50 14.856 17.177 -14.422 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.924 19.197 -12.170 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.619 18.067 -12.471 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.808 16.391 -12.694 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.411 17.541 -11.516 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.358 15.842 -11.239 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.451 15.732 -12.639 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.359 14.390 -11.475 1.00 0.00 H new ATOM 758 N GLU A 51 14.623 20.321 -15.231 1.00 0.00 N ATOM 759 CA GLU A 51 14.027 21.181 -16.238 1.00 0.00 C ATOM 760 C GLU A 51 14.183 20.588 -17.641 1.00 0.00 C ATOM 761 O GLU A 51 13.307 20.803 -18.480 1.00 0.00 O ATOM 762 CB GLU A 51 14.650 22.580 -16.163 1.00 0.00 C ATOM 763 CG GLU A 51 14.025 23.443 -15.057 1.00 0.00 C ATOM 764 CD GLU A 51 14.534 24.894 -15.118 1.00 0.00 C ATOM 765 OE1 GLU A 51 15.725 25.150 -14.832 1.00 0.00 O ATOM 766 OE2 GLU A 51 13.738 25.803 -15.453 1.00 0.00 O ATOM 0 H GLU A 51 15.386 20.763 -14.718 1.00 0.00 H new ATOM 0 HA GLU A 51 12.959 21.259 -16.036 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.722 22.488 -15.986 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.527 23.081 -17.123 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.940 23.433 -15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.261 23.014 -14.083 1.00 0.00 H new ATOM 773 N GLU A 52 15.237 19.804 -17.903 1.00 0.00 N ATOM 774 CA GLU A 52 15.373 19.088 -19.168 1.00 0.00 C ATOM 775 C GLU A 52 14.279 18.028 -19.303 1.00 0.00 C ATOM 776 O GLU A 52 13.763 17.812 -20.403 1.00 0.00 O ATOM 777 CB GLU A 52 16.754 18.438 -19.383 1.00 0.00 C ATOM 778 CG GLU A 52 17.932 19.396 -19.159 1.00 0.00 C ATOM 779 CD GLU A 52 19.134 19.094 -20.066 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.930 18.173 -19.769 1.00 0.00 O ATOM 781 OE2 GLU A 52 19.309 19.795 -21.088 1.00 0.00 O ATOM 0 H GLU A 52 16.007 19.652 -17.251 1.00 0.00 H new ATOM 0 HA GLU A 52 15.267 19.846 -19.944 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.855 17.589 -18.707 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.806 18.045 -20.398 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.599 20.419 -19.335 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.247 19.338 -18.117 1.00 0.00 H new ATOM 788 N VAL A 53 13.900 17.387 -18.193 1.00 0.00 N ATOM 789 CA VAL A 53 12.806 16.407 -18.197 1.00 0.00 C ATOM 790 C VAL A 53 11.434 17.113 -18.189 1.00 0.00 C ATOM 791 O VAL A 53 10.455 16.558 -18.692 1.00 0.00 O ATOM 792 CB VAL A 53 12.968 15.422 -17.019 1.00 0.00 C ATOM 793 CG1 VAL A 53 11.980 14.247 -17.090 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.381 14.822 -16.996 1.00 0.00 C ATOM 0 H VAL A 53 14.333 17.528 -17.280 1.00 0.00 H new ATOM 0 HA VAL A 53 12.853 15.825 -19.118 1.00 0.00 H new ATOM 0 HB VAL A 53 12.773 16.007 -16.121 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.139 13.586 -16.238 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.959 14.628 -17.069 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.141 13.692 -18.014 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.470 14.132 -16.157 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.564 14.286 -17.928 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.114 15.621 -16.887 1.00 0.00 H new ATOM 804 N GLY A 54 11.357 18.340 -17.664 1.00 0.00 N ATOM 805 CA GLY A 54 10.118 19.094 -17.489 1.00 0.00 C ATOM 806 C GLY A 54 9.637 19.070 -16.033 1.00 0.00 C ATOM 807 O GLY A 54 8.431 19.136 -15.787 1.00 0.00 O ATOM 0 H GLY A 54 12.180 18.848 -17.341 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.273 20.126 -17.803 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.345 18.677 -18.134 1.00 0.00 H new ATOM 811 N ILE A 55 10.561 18.936 -15.077 1.00 0.00 N ATOM 812 CA ILE A 55 10.309 18.899 -13.635 1.00 0.00 C ATOM 813 C ILE A 55 11.197 19.993 -12.987 1.00 0.00 C ATOM 814 O ILE A 55 11.886 20.737 -13.687 1.00 0.00 O ATOM 815 CB ILE A 55 10.556 17.454 -13.110 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.903 16.332 -13.965 1.00 0.00 C ATOM 817 CG2 ILE A 55 10.070 17.257 -11.656 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.730 15.047 -13.894 1.00 0.00 C ATOM 0 H ILE A 55 11.552 18.846 -15.299 1.00 0.00 H new ATOM 0 HA ILE A 55 9.276 19.125 -13.372 1.00 0.00 H new ATOM 0 HB ILE A 55 11.640 17.358 -13.175 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.891 16.139 -13.609 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.819 16.660 -15.001 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.267 16.232 -11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.600 17.946 -10.999 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.999 17.454 -11.600 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.255 14.275 -14.499 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.734 15.239 -14.273 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.791 14.710 -12.859 1.00 0.00 H new ATOM 830 N ASP A 56 11.184 20.127 -11.661 1.00 0.00 N ATOM 831 CA ASP A 56 11.931 21.116 -10.874 1.00 0.00 C ATOM 832 C ASP A 56 12.308 20.480 -9.533 1.00 0.00 C ATOM 833 O ASP A 56 11.645 19.533 -9.101 1.00 0.00 O ATOM 834 CB ASP A 56 11.041 22.345 -10.625 1.00 0.00 C ATOM 835 CG ASP A 56 11.546 23.242 -9.480 1.00 0.00 C ATOM 836 OD1 ASP A 56 12.719 23.682 -9.513 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.783 23.460 -8.515 1.00 0.00 O ATOM 0 H ASP A 56 10.621 19.515 -11.071 1.00 0.00 H new ATOM 0 HA ASP A 56 12.829 21.425 -11.409 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.983 22.934 -11.540 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.029 22.011 -10.396 1.00 0.00 H new ATOM 842 N ILE A 57 13.336 21.015 -8.864 1.00 0.00 N ATOM 843 CA ILE A 57 13.720 20.602 -7.517 1.00 0.00 C ATOM 844 C ILE A 57 13.914 21.771 -6.539 1.00 0.00 C ATOM 845 O ILE A 57 13.970 21.531 -5.333 1.00 0.00 O ATOM 846 CB ILE A 57 14.961 19.689 -7.511 1.00 0.00 C ATOM 847 CG1 ILE A 57 15.332 19.007 -8.835 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.738 18.617 -6.433 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.581 18.141 -8.657 1.00 0.00 C ATOM 0 H ILE A 57 13.927 21.752 -9.249 1.00 0.00 H new ATOM 0 HA ILE A 57 12.867 20.027 -7.157 1.00 0.00 H new ATOM 0 HB ILE A 57 15.808 20.346 -7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.501 18.392 -9.180 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.510 19.761 -9.602 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.599 17.950 -6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.613 19.097 -5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.843 18.042 -6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.831 17.664 -9.605 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.414 18.766 -8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.389 17.375 -7.905 1.00 0.00 H new ATOM 861 N SER A 58 13.991 23.019 -7.011 1.00 0.00 N ATOM 862 CA SER A 58 14.201 24.194 -6.158 1.00 0.00 C ATOM 863 C SER A 58 13.221 24.273 -4.972 1.00 0.00 C ATOM 864 O SER A 58 13.581 24.796 -3.914 1.00 0.00 O ATOM 865 CB SER A 58 14.159 25.488 -6.990 1.00 0.00 C ATOM 866 OG SER A 58 12.984 25.615 -7.770 1.00 0.00 O ATOM 0 H SER A 58 13.909 23.244 -8.002 1.00 0.00 H new ATOM 0 HA SER A 58 15.195 24.082 -5.724 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.237 26.345 -6.321 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.028 25.517 -7.647 1.00 0.00 H new ATOM 0 HG SER A 58 13.096 25.127 -8.612 1.00 0.00 H new ATOM 872 N GLY A 59 12.006 23.732 -5.121 1.00 0.00 N ATOM 873 CA GLY A 59 10.974 23.763 -4.095 1.00 0.00 C ATOM 874 C GLY A 59 11.044 22.603 -3.097 1.00 0.00 C ATOM 875 O GLY A 59 10.374 22.683 -2.065 1.00 0.00 O ATOM 0 H GLY A 59 11.714 23.254 -5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.050 24.703 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.997 23.753 -4.578 1.00 0.00 H new ATOM 879 N GLN A 60 11.806 21.528 -3.360 1.00 0.00 N ATOM 880 CA GLN A 60 11.788 20.352 -2.489 1.00 0.00 C ATOM 881 C GLN A 60 12.527 20.567 -1.182 1.00 0.00 C ATOM 882 O GLN A 60 12.150 19.962 -0.175 1.00 0.00 O ATOM 883 CB GLN A 60 12.410 19.100 -3.138 1.00 0.00 C ATOM 884 CG GLN A 60 11.801 18.631 -4.464 1.00 0.00 C ATOM 885 CD GLN A 60 11.983 17.124 -4.666 1.00 0.00 C ATOM 886 OE1 GLN A 60 11.014 16.416 -4.923 1.00 0.00 O ATOM 887 NE2 GLN A 60 13.189 16.587 -4.538 1.00 0.00 N ATOM 0 H GLN A 60 12.434 21.453 -4.160 1.00 0.00 H new ATOM 0 HA GLN A 60 10.725 20.195 -2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.470 19.294 -3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.342 18.279 -2.424 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.739 18.876 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.268 19.168 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.991 17.180 -4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.314 15.581 -4.653 1.00 0.00 H new ATOM 896 N THR A 61 13.552 21.420 -1.189 1.00 0.00 N ATOM 897 CA THR A 61 14.483 21.564 -0.082 1.00 0.00 C ATOM 898 C THR A 61 15.181 20.224 0.184 1.00 0.00 C ATOM 899 O THR A 61 15.165 19.312 -0.649 1.00 0.00 O ATOM 900 CB THR A 61 13.806 22.201 1.157 1.00 0.00 C ATOM 901 OG1 THR A 61 13.059 21.290 1.937 1.00 0.00 O ATOM 902 CG2 THR A 61 12.851 23.319 0.767 1.00 0.00 C ATOM 0 H THR A 61 13.757 22.036 -1.976 1.00 0.00 H new ATOM 0 HA THR A 61 15.268 22.272 -0.349 1.00 0.00 H new ATOM 0 HB THR A 61 14.644 22.575 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.600 20.655 1.348 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.397 23.739 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.400 24.099 0.239 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.071 22.921 0.118 1.00 0.00 H new ATOM 910 N SER A 62 15.786 20.123 1.357 1.00 0.00 N ATOM 911 CA SER A 62 16.613 18.987 1.747 1.00 0.00 C ATOM 912 C SER A 62 16.335 18.580 3.196 1.00 0.00 C ATOM 913 O SER A 62 15.866 19.394 3.996 1.00 0.00 O ATOM 914 CB SER A 62 18.086 19.345 1.549 1.00 0.00 C ATOM 915 OG SER A 62 18.360 19.813 0.246 1.00 0.00 O ATOM 0 H SER A 62 15.716 20.840 2.079 1.00 0.00 H new ATOM 0 HA SER A 62 16.367 18.132 1.118 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.371 20.109 2.273 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.700 18.468 1.753 1.00 0.00 H new ATOM 0 HG SER A 62 19.325 19.947 0.143 1.00 0.00 H new ATOM 921 N ASP A 63 16.619 17.319 3.535 1.00 0.00 N ATOM 922 CA ASP A 63 16.228 16.697 4.800 1.00 0.00 C ATOM 923 C ASP A 63 17.223 15.572 5.137 1.00 0.00 C ATOM 924 O ASP A 63 17.603 14.824 4.230 1.00 0.00 O ATOM 925 CB ASP A 63 14.805 16.123 4.651 1.00 0.00 C ATOM 926 CG ASP A 63 13.925 16.486 5.852 1.00 0.00 C ATOM 927 OD1 ASP A 63 14.103 15.890 6.932 1.00 0.00 O ATOM 928 OD2 ASP A 63 13.040 17.361 5.714 1.00 0.00 O ATOM 0 H ASP A 63 17.139 16.690 2.923 1.00 0.00 H new ATOM 0 HA ASP A 63 16.238 17.432 5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.351 16.506 3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.857 15.039 4.551 1.00 0.00 H new ATOM 933 N PRO A 64 17.703 15.437 6.387 1.00 0.00 N ATOM 934 CA PRO A 64 18.617 14.362 6.764 1.00 0.00 C ATOM 935 C PRO A 64 17.861 13.047 7.006 1.00 0.00 C ATOM 936 O PRO A 64 16.705 13.044 7.437 1.00 0.00 O ATOM 937 CB PRO A 64 19.295 14.856 8.045 1.00 0.00 C ATOM 938 CG PRO A 64 18.218 15.716 8.704 1.00 0.00 C ATOM 939 CD PRO A 64 17.486 16.337 7.513 1.00 0.00 C ATOM 0 HA PRO A 64 19.339 14.145 5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.596 14.027 8.686 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.194 15.433 7.828 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.547 15.118 9.321 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.652 16.478 9.351 1.00 0.00 H new ATOM 0 HD2 PRO A 64 16.422 16.447 7.724 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.872 17.333 7.295 1.00 0.00 H new ATOM 947 N ILE A 65 18.560 11.921 6.817 1.00 0.00 N ATOM 948 CA ILE A 65 18.040 10.578 7.104 1.00 0.00 C ATOM 949 C ILE A 65 17.512 10.475 8.541 1.00 0.00 C ATOM 950 O ILE A 65 16.514 9.801 8.801 1.00 0.00 O ATOM 951 CB ILE A 65 19.121 9.527 6.780 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.506 8.117 6.867 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.385 9.638 7.661 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.344 7.083 6.123 1.00 0.00 C ATOM 0 H ILE A 65 19.514 11.917 6.456 1.00 0.00 H new ATOM 0 HA ILE A 65 17.182 10.378 6.463 1.00 0.00 H new ATOM 0 HB ILE A 65 19.463 9.723 5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.414 7.825 7.913 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.498 8.134 6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.098 8.866 7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.839 10.620 7.525 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.111 9.507 8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.874 6.103 6.210 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.414 7.360 5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.344 7.046 6.555 1.00 0.00 H new ATOM 966 N GLU A 66 18.163 11.195 9.459 1.00 0.00 N ATOM 967 CA GLU A 66 17.900 11.198 10.891 1.00 0.00 C ATOM 968 C GLU A 66 16.450 11.586 11.222 1.00 0.00 C ATOM 969 O GLU A 66 15.952 11.242 12.297 1.00 0.00 O ATOM 970 CB GLU A 66 18.873 12.178 11.578 1.00 0.00 C ATOM 971 CG GLU A 66 20.354 12.005 11.185 1.00 0.00 C ATOM 972 CD GLU A 66 21.279 12.771 12.148 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.432 14.005 12.005 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.873 12.144 13.055 1.00 0.00 O ATOM 0 H GLU A 66 18.926 11.822 9.205 1.00 0.00 H new ATOM 0 HA GLU A 66 18.051 10.184 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.566 13.197 11.342 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.783 12.060 12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.614 10.946 11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.507 12.364 10.167 1.00 0.00 H new ATOM 981 N ASN A 67 15.773 12.310 10.322 1.00 0.00 N ATOM 982 CA ASN A 67 14.432 12.838 10.550 1.00 0.00 C ATOM 983 C ASN A 67 13.324 11.830 10.196 1.00 0.00 C ATOM 984 O ASN A 67 12.156 12.091 10.490 1.00 0.00 O ATOM 985 CB ASN A 67 14.276 14.137 9.750 1.00 0.00 C ATOM 986 CG ASN A 67 13.008 14.916 10.099 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.553 14.950 11.240 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.441 15.602 9.126 1.00 0.00 N ATOM 0 H ASN A 67 16.151 12.546 9.404 1.00 0.00 H new ATOM 0 HA ASN A 67 14.318 13.037 11.616 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.144 14.772 9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.267 13.901 8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.615 16.169 9.316 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.828 15.565 8.183 1.00 0.00 H new ATOM 995 N PHE A 68 13.649 10.678 9.595 1.00 0.00 N ATOM 996 CA PHE A 68 12.681 9.660 9.207 1.00 0.00 C ATOM 997 C PHE A 68 13.008 8.323 9.881 1.00 0.00 C ATOM 998 O PHE A 68 13.937 8.216 10.686 1.00 0.00 O ATOM 999 CB PHE A 68 12.662 9.545 7.676 1.00 0.00 C ATOM 1000 CG PHE A 68 12.114 10.764 6.966 1.00 0.00 C ATOM 1001 CD1 PHE A 68 12.955 11.849 6.659 1.00 0.00 C ATOM 1002 CD2 PHE A 68 10.753 10.810 6.610 1.00 0.00 C ATOM 1003 CE1 PHE A 68 12.427 12.987 6.026 1.00 0.00 C ATOM 1004 CE2 PHE A 68 10.224 11.956 5.990 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.060 13.050 5.704 1.00 0.00 C ATOM 0 H PHE A 68 14.611 10.429 9.363 1.00 0.00 H new ATOM 0 HA PHE A 68 11.684 9.947 9.542 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.677 9.360 7.325 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.065 8.677 7.396 1.00 0.00 H new ATOM 0 HD1 PHE A 68 14.005 11.807 6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.114 9.964 6.813 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.075 13.817 5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.176 11.996 5.733 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.653 13.936 5.239 1.00 0.00 H new ATOM 1015 N ASN A 69 12.229 7.297 9.538 1.00 0.00 N ATOM 1016 CA ASN A 69 12.321 5.937 10.050 1.00 0.00 C ATOM 1017 C ASN A 69 12.237 4.972 8.873 1.00 0.00 C ATOM 1018 O ASN A 69 11.324 5.056 8.050 1.00 0.00 O ATOM 1019 CB ASN A 69 11.214 5.636 11.086 1.00 0.00 C ATOM 1020 CG ASN A 69 9.837 6.247 10.807 1.00 0.00 C ATOM 1021 OD1 ASN A 69 9.188 6.760 11.714 1.00 0.00 O ATOM 1022 ND2 ASN A 69 9.361 6.240 9.572 1.00 0.00 N ATOM 0 H ASN A 69 11.476 7.402 8.858 1.00 0.00 H new ATOM 0 HA ASN A 69 13.273 5.816 10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.100 4.555 11.160 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.553 5.988 12.060 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.454 6.661 9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.902 5.813 8.820 1.00 0.00 H new ATOM 1029 N ALA A 70 13.175 4.031 8.826 1.00 0.00 N ATOM 1030 CA ALA A 70 13.307 3.045 7.764 1.00 0.00 C ATOM 1031 C ALA A 70 12.065 2.175 7.610 1.00 0.00 C ATOM 1032 O ALA A 70 11.768 1.742 6.501 1.00 0.00 O ATOM 1033 CB ALA A 70 14.510 2.146 8.074 1.00 0.00 C ATOM 0 H ALA A 70 13.886 3.932 9.551 1.00 0.00 H new ATOM 0 HA ALA A 70 13.443 3.585 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.621 1.402 7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.413 2.753 8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.352 1.643 9.028 1.00 0.00 H new ATOM 1039 N ASP A 71 11.338 1.935 8.705 1.00 0.00 N ATOM 1040 CA ASP A 71 10.183 1.040 8.741 1.00 0.00 C ATOM 1041 C ASP A 71 9.063 1.487 7.796 1.00 0.00 C ATOM 1042 O ASP A 71 8.232 0.675 7.390 1.00 0.00 O ATOM 1043 CB ASP A 71 9.657 0.952 10.179 1.00 0.00 C ATOM 1044 CG ASP A 71 8.449 0.007 10.293 1.00 0.00 C ATOM 1045 OD1 ASP A 71 8.624 -1.226 10.161 1.00 0.00 O ATOM 1046 OD2 ASP A 71 7.325 0.484 10.572 1.00 0.00 O ATOM 0 H ASP A 71 11.541 2.366 9.607 1.00 0.00 H new ATOM 0 HA ASP A 71 10.512 0.059 8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.454 0.603 10.836 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.373 1.947 10.523 1.00 0.00 H new ATOM 1051 N ASP A 72 9.041 2.772 7.424 1.00 0.00 N ATOM 1052 CA ASP A 72 8.014 3.340 6.575 1.00 0.00 C ATOM 1053 C ASP A 72 8.349 3.136 5.099 1.00 0.00 C ATOM 1054 O ASP A 72 7.466 3.288 4.262 1.00 0.00 O ATOM 1055 CB ASP A 72 7.832 4.824 6.911 1.00 0.00 C ATOM 1056 CG ASP A 72 6.614 5.453 6.218 1.00 0.00 C ATOM 1057 OD1 ASP A 72 5.499 4.891 6.300 1.00 0.00 O ATOM 1058 OD2 ASP A 72 6.738 6.571 5.670 1.00 0.00 O ATOM 0 H ASP A 72 9.749 3.446 7.713 1.00 0.00 H new ATOM 0 HA ASP A 72 7.072 2.825 6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.727 4.936 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.730 5.369 6.620 1.00 0.00 H new ATOM 1063 N TYR A 73 9.589 2.757 4.761 1.00 0.00 N ATOM 1064 CA TYR A 73 10.084 2.673 3.405 1.00 0.00 C ATOM 1065 C TYR A 73 10.268 1.210 3.010 1.00 0.00 C ATOM 1066 O TYR A 73 10.947 0.455 3.704 1.00 0.00 O ATOM 1067 CB TYR A 73 11.364 3.509 3.279 1.00 0.00 C ATOM 1068 CG TYR A 73 11.107 4.993 3.486 1.00 0.00 C ATOM 1069 CD1 TYR A 73 10.631 5.770 2.414 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.289 5.589 4.752 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.324 7.126 2.604 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.007 6.955 4.952 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.502 7.723 3.874 1.00 0.00 C ATOM 1074 OH TYR A 73 10.195 9.034 4.054 1.00 0.00 O ATOM 0 H TYR A 73 10.288 2.495 5.456 1.00 0.00 H new ATOM 0 HA TYR A 73 9.363 3.091 2.703 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.094 3.164 4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.802 3.352 2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.501 5.321 1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 73 11.648 4.992 5.577 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.951 7.715 1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.174 7.411 5.916 1.00 0.00 H new ATOM 0 HH TYR A 73 10.501 9.323 4.939 1.00 0.00 H new ATOM 1084 N ASP A 74 9.647 0.796 1.901 1.00 0.00 N ATOM 1085 CA ASP A 74 9.813 -0.551 1.367 1.00 0.00 C ATOM 1086 C ASP A 74 11.202 -0.708 0.753 1.00 0.00 C ATOM 1087 O ASP A 74 11.866 -1.723 0.967 1.00 0.00 O ATOM 1088 CB ASP A 74 8.758 -0.844 0.296 1.00 0.00 C ATOM 1089 CG ASP A 74 8.955 -2.250 -0.294 1.00 0.00 C ATOM 1090 OD1 ASP A 74 8.348 -3.206 0.240 1.00 0.00 O ATOM 1091 OD2 ASP A 74 9.618 -2.378 -1.346 1.00 0.00 O ATOM 0 H ASP A 74 9.019 1.385 1.354 1.00 0.00 H new ATOM 0 HA ASP A 74 9.693 -1.256 2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.761 -0.763 0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.822 -0.099 -0.497 1.00 0.00 H new ATOM 1096 N VAL A 75 11.661 0.319 0.031 1.00 0.00 N ATOM 1097 CA VAL A 75 12.862 0.238 -0.786 1.00 0.00 C ATOM 1098 C VAL A 75 13.781 1.411 -0.474 1.00 0.00 C ATOM 1099 O VAL A 75 13.325 2.551 -0.391 1.00 0.00 O ATOM 1100 CB VAL A 75 12.467 0.081 -2.275 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.251 0.860 -2.782 1.00 0.00 C ATOM 1102 CG2 VAL A 75 13.653 0.292 -3.229 1.00 0.00 C ATOM 0 H VAL A 75 11.204 1.230 0.001 1.00 0.00 H new ATOM 0 HA VAL A 75 13.447 -0.650 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 75 12.143 -0.960 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.099 0.649 -3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.366 0.558 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.420 1.928 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.318 0.170 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 75 14.054 1.297 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.430 -0.441 -3.011 1.00 0.00 H new ATOM 1112 N VAL A 76 15.075 1.130 -0.309 1.00 0.00 N ATOM 1113 CA VAL A 76 16.075 2.134 0.046 1.00 0.00 C ATOM 1114 C VAL A 76 17.200 2.090 -0.988 1.00 0.00 C ATOM 1115 O VAL A 76 17.986 1.145 -1.088 1.00 0.00 O ATOM 1116 CB VAL A 76 16.563 1.933 1.494 1.00 0.00 C ATOM 1117 CG1 VAL A 76 17.641 2.943 1.912 1.00 0.00 C ATOM 1118 CG2 VAL A 76 15.407 1.965 2.512 1.00 0.00 C ATOM 0 H VAL A 76 15.459 0.192 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 76 15.640 3.133 0.022 1.00 0.00 H new ATOM 0 HB VAL A 76 17.011 0.939 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 76 17.942 2.748 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.506 2.845 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.241 3.954 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.803 1.819 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.901 2.929 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.698 1.170 2.282 1.00 0.00 H new ATOM 1128 N ILE A 77 17.275 3.150 -1.775 1.00 0.00 N ATOM 1129 CA ILE A 77 18.284 3.343 -2.783 1.00 0.00 C ATOM 1130 C ILE A 77 19.318 4.279 -2.199 1.00 0.00 C ATOM 1131 O ILE A 77 19.112 5.487 -2.110 1.00 0.00 O ATOM 1132 CB ILE A 77 17.635 3.889 -4.067 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.616 2.899 -4.668 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.702 4.263 -5.101 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.145 1.471 -4.866 1.00 0.00 C ATOM 0 H ILE A 77 16.609 3.921 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 77 18.772 2.410 -3.063 1.00 0.00 H new ATOM 0 HB ILE A 77 17.087 4.790 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.741 2.861 -4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.281 3.284 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.219 4.646 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.358 5.029 -4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.289 3.380 -5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.359 0.848 -5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.000 1.490 -5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.452 1.060 -3.904 1.00 0.00 H new ATOM 1147 N SER A 78 20.410 3.718 -1.717 1.00 0.00 N ATOM 1148 CA SER A 78 21.543 4.549 -1.395 1.00 0.00 C ATOM 1149 C SER A 78 22.131 4.985 -2.739 1.00 0.00 C ATOM 1150 O SER A 78 21.939 4.358 -3.788 1.00 0.00 O ATOM 1151 CB SER A 78 22.575 3.769 -0.607 1.00 0.00 C ATOM 1152 OG SER A 78 23.504 4.634 0.019 1.00 0.00 O ATOM 0 H SER A 78 20.532 2.720 -1.545 1.00 0.00 H new ATOM 0 HA SER A 78 21.248 5.400 -0.781 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.076 3.160 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.102 3.085 -1.272 1.00 0.00 H new ATOM 0 HG SER A 78 24.157 4.104 0.522 1.00 0.00 H new ATOM 1158 N LEU A 79 22.845 6.092 -2.705 1.00 0.00 N ATOM 1159 CA LEU A 79 23.606 6.651 -3.801 1.00 0.00 C ATOM 1160 C LEU A 79 24.685 7.468 -3.101 1.00 0.00 C ATOM 1161 O LEU A 79 24.789 8.681 -3.260 1.00 0.00 O ATOM 1162 CB LEU A 79 22.736 7.406 -4.847 1.00 0.00 C ATOM 1163 CG LEU A 79 21.228 7.588 -4.558 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.049 8.808 -3.674 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.431 7.794 -5.851 1.00 0.00 C ATOM 0 H LEU A 79 22.913 6.659 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 79 24.054 5.897 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.169 8.397 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.830 6.881 -5.798 1.00 0.00 H new ATOM 0 HG LEU A 79 20.858 6.688 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.990 8.950 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.591 8.663 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.438 9.688 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.375 7.919 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.794 8.684 -6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.556 6.926 -6.498 1.00 0.00 H new ATOM 1177 N CYS A 80 25.424 6.801 -2.211 1.00 0.00 N ATOM 1178 CA CYS A 80 26.583 7.373 -1.551 1.00 0.00 C ATOM 1179 C CYS A 80 27.811 7.183 -2.442 1.00 0.00 C ATOM 1180 O CYS A 80 28.636 8.097 -2.527 1.00 0.00 O ATOM 1181 CB CYS A 80 26.774 6.731 -0.173 1.00 0.00 C ATOM 1182 SG CYS A 80 25.358 7.135 0.894 1.00 0.00 S ATOM 0 H CYS A 80 25.226 5.840 -1.931 1.00 0.00 H new ATOM 0 HA CYS A 80 26.436 8.441 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 80 26.868 5.650 -0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 80 27.698 7.090 0.281 1.00 0.00 H new ATOM 0 HG CYS A 80 24.415 6.259 0.714 1.00 0.00 H new ATOM 1188 N GLY A 81 27.898 6.070 -3.177 1.00 0.00 N ATOM 1189 CA GLY A 81 29.025 5.786 -4.053 1.00 0.00 C ATOM 1190 C GLY A 81 30.162 5.144 -3.268 1.00 0.00 C ATOM 1191 O GLY A 81 30.081 5.002 -2.047 1.00 0.00 O ATOM 0 H GLY A 81 27.183 5.342 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.710 5.121 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.372 6.708 -4.519 1.00 0.00 H new ATOM 1195 N CYS A 82 31.213 4.723 -3.979 1.00 0.00 N ATOM 1196 CA CYS A 82 32.329 3.910 -3.500 1.00 0.00 C ATOM 1197 C CYS A 82 31.915 2.786 -2.529 1.00 0.00 C ATOM 1198 O CYS A 82 32.662 2.425 -1.617 1.00 0.00 O ATOM 1199 CB CYS A 82 33.376 4.873 -2.941 1.00 0.00 C ATOM 1200 SG CYS A 82 34.080 5.898 -4.270 1.00 0.00 S ATOM 0 H CYS A 82 31.310 4.957 -4.967 1.00 0.00 H new ATOM 0 HA CYS A 82 32.759 3.344 -4.326 1.00 0.00 H new ATOM 0 HB2 CYS A 82 32.922 5.512 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 82 34.170 4.310 -2.450 1.00 0.00 H new ATOM 0 HG CYS A 82 34.965 6.709 -3.770 1.00 0.00 H new ATOM 1206 N GLY A 83 30.713 2.239 -2.732 1.00 0.00 N ATOM 1207 CA GLY A 83 30.099 1.206 -1.913 1.00 0.00 C ATOM 1208 C GLY A 83 29.907 1.588 -0.445 1.00 0.00 C ATOM 1209 O GLY A 83 29.804 0.702 0.406 1.00 0.00 O ATOM 0 H GLY A 83 30.118 2.522 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 83 29.128 0.952 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 83 30.714 0.307 -1.964 1.00 0.00 H new ATOM 1213 N VAL A 84 29.870 2.884 -0.132 1.00 0.00 N ATOM 1214 CA VAL A 84 29.480 3.391 1.168 1.00 0.00 C ATOM 1215 C VAL A 84 28.022 2.971 1.375 1.00 0.00 C ATOM 1216 O VAL A 84 27.215 2.959 0.440 1.00 0.00 O ATOM 1217 CB VAL A 84 29.730 4.905 1.253 1.00 0.00 C ATOM 1218 CG1 VAL A 84 29.213 5.533 2.556 1.00 0.00 C ATOM 1219 CG2 VAL A 84 31.231 5.219 1.123 1.00 0.00 C ATOM 0 H VAL A 84 30.117 3.619 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 84 30.078 2.976 1.980 1.00 0.00 H new ATOM 0 HB VAL A 84 29.173 5.341 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 84 29.421 6.603 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 84 28.138 5.373 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 84 29.713 5.069 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 84 31.384 6.296 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 84 31.777 4.727 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 84 31.597 4.856 0.162 1.00 0.00 H new ATOM 1229 N ASN A 85 27.704 2.594 2.608 1.00 0.00 N ATOM 1230 CA ASN A 85 26.443 1.960 2.974 1.00 0.00 C ATOM 1231 C ASN A 85 25.900 2.594 4.258 1.00 0.00 C ATOM 1232 O ASN A 85 26.506 3.517 4.807 1.00 0.00 O ATOM 1233 CB ASN A 85 26.666 0.438 3.098 1.00 0.00 C ATOM 1234 CG ASN A 85 25.434 -0.351 2.665 1.00 0.00 C ATOM 1235 OD1 ASN A 85 24.329 -0.097 3.124 1.00 0.00 O ATOM 1236 ND2 ASN A 85 25.584 -1.300 1.758 1.00 0.00 N ATOM 0 H ASN A 85 28.332 2.724 3.401 1.00 0.00 H new ATOM 0 HA ASN A 85 25.688 2.118 2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 85 27.519 0.144 2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 85 26.913 0.189 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.774 -1.829 1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 85 26.510 -1.504 1.382 1.00 0.00 H new ATOM 1243 N LEU A 86 24.753 2.114 4.731 1.00 0.00 N ATOM 1244 CA LEU A 86 23.971 2.692 5.811 1.00 0.00 C ATOM 1245 C LEU A 86 24.021 1.692 6.971 1.00 0.00 C ATOM 1246 O LEU A 86 23.417 0.626 6.862 1.00 0.00 O ATOM 1247 CB LEU A 86 22.521 2.942 5.333 1.00 0.00 C ATOM 1248 CG LEU A 86 22.372 3.730 4.014 1.00 0.00 C ATOM 1249 CD1 LEU A 86 20.887 3.890 3.674 1.00 0.00 C ATOM 1250 CD2 LEU A 86 23.037 5.110 4.057 1.00 0.00 C ATOM 0 H LEU A 86 24.326 1.270 4.350 1.00 0.00 H new ATOM 0 HA LEU A 86 24.368 3.655 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.027 1.978 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 86 21.988 3.480 6.117 1.00 0.00 H new ATOM 0 HG LEU A 86 22.884 3.153 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.785 4.447 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.432 2.906 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.386 4.431 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.896 5.612 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.586 5.707 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 86 24.103 4.994 4.252 1.00 0.00 H new ATOM 1262 N PRO A 87 24.741 1.978 8.071 1.00 0.00 N ATOM 1263 CA PRO A 87 24.662 1.179 9.289 1.00 0.00 C ATOM 1264 C PRO A 87 23.229 0.908 9.804 1.00 0.00 C ATOM 1265 O PRO A 87 22.991 -0.224 10.238 1.00 0.00 O ATOM 1266 CB PRO A 87 25.516 1.911 10.331 1.00 0.00 C ATOM 1267 CG PRO A 87 26.497 2.722 9.487 1.00 0.00 C ATOM 1268 CD PRO A 87 25.686 3.071 8.241 1.00 0.00 C ATOM 0 HA PRO A 87 25.034 0.176 9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.908 2.554 10.967 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.034 1.212 10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 87 26.834 3.616 10.011 1.00 0.00 H new ATOM 0 HG3 PRO A 87 27.387 2.144 9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 87 25.168 4.022 8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 87 26.331 3.171 7.368 1.00 0.00 H new ATOM 1276 N PRO A 88 22.281 1.876 9.815 1.00 0.00 N ATOM 1277 CA PRO A 88 20.959 1.656 10.406 1.00 0.00 C ATOM 1278 C PRO A 88 20.028 0.787 9.543 1.00 0.00 C ATOM 1279 O PRO A 88 20.369 0.374 8.436 1.00 0.00 O ATOM 1280 CB PRO A 88 20.398 3.063 10.667 1.00 0.00 C ATOM 1281 CG PRO A 88 21.066 3.916 9.594 1.00 0.00 C ATOM 1282 CD PRO A 88 22.443 3.295 9.491 1.00 0.00 C ATOM 0 HA PRO A 88 21.037 1.076 11.326 1.00 0.00 H new ATOM 0 HB2 PRO A 88 19.312 3.085 10.579 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.644 3.414 11.669 1.00 0.00 H new ATOM 0 HG2 PRO A 88 20.529 3.871 8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 88 21.115 4.966 9.883 1.00 0.00 H new ATOM 0 HD2 PRO A 88 22.852 3.420 8.488 1.00 0.00 H new ATOM 0 HD3 PRO A 88 23.138 3.774 10.181 1.00 0.00 H new ATOM 1290 N GLU A 89 18.810 0.555 10.051 1.00 0.00 N ATOM 1291 CA GLU A 89 17.775 -0.353 9.530 1.00 0.00 C ATOM 1292 C GLU A 89 17.373 -0.066 8.080 1.00 0.00 C ATOM 1293 O GLU A 89 16.690 -0.862 7.439 1.00 0.00 O ATOM 1294 CB GLU A 89 16.502 -0.243 10.387 1.00 0.00 C ATOM 1295 CG GLU A 89 16.675 -0.469 11.891 1.00 0.00 C ATOM 1296 CD GLU A 89 17.151 -1.892 12.237 1.00 0.00 C ATOM 1297 OE1 GLU A 89 16.302 -2.801 12.389 1.00 0.00 O ATOM 1298 OE2 GLU A 89 18.372 -2.106 12.409 1.00 0.00 O ATOM 0 H GLU A 89 18.498 1.030 10.898 1.00 0.00 H new ATOM 0 HA GLU A 89 18.215 -1.349 9.571 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.073 0.748 10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.775 -0.965 10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.393 0.253 12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.726 -0.278 12.393 1.00 0.00 H new ATOM 1305 N TRP A 90 17.770 1.081 7.546 1.00 0.00 N ATOM 1306 CA TRP A 90 17.594 1.437 6.155 1.00 0.00 C ATOM 1307 C TRP A 90 18.235 0.414 5.215 1.00 0.00 C ATOM 1308 O TRP A 90 17.764 0.267 4.090 1.00 0.00 O ATOM 1309 CB TRP A 90 18.174 2.834 5.956 1.00 0.00 C ATOM 1310 CG TRP A 90 17.499 3.896 6.764 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.798 4.251 8.030 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.376 4.740 6.386 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.016 5.305 8.431 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.104 5.646 7.455 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.561 4.819 5.242 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.099 6.617 7.368 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 14.529 5.766 5.159 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.306 6.670 6.210 1.00 0.00 C ATOM 0 H TRP A 90 18.237 1.807 8.089 1.00 0.00 H new ATOM 0 HA TRP A 90 16.533 1.436 5.905 1.00 0.00 H new ATOM 0 HB2 TRP A 90 19.233 2.816 6.212 1.00 0.00 H new ATOM 0 HB3 TRP A 90 18.106 3.097 4.900 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.548 3.773 8.643 1.00 0.00 H new ATOM 0 HE1 TRP A 90 17.099 5.774 9.333 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.732 4.142 4.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.936 7.313 8.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 13.902 5.800 4.280 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.522 7.408 6.128 1.00 0.00 H new ATOM 1329 N VAL A 91 19.261 -0.330 5.647 1.00 0.00 N ATOM 1330 CA VAL A 91 19.871 -1.330 4.786 1.00 0.00 C ATOM 1331 C VAL A 91 19.071 -2.640 4.846 1.00 0.00 C ATOM 1332 O VAL A 91 19.213 -3.482 3.959 1.00 0.00 O ATOM 1333 CB VAL A 91 21.374 -1.476 5.119 1.00 0.00 C ATOM 1334 CG1 VAL A 91 21.659 -2.147 6.471 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.141 -2.234 4.026 1.00 0.00 C ATOM 0 H VAL A 91 19.676 -0.255 6.576 1.00 0.00 H new ATOM 0 HA VAL A 91 19.832 -1.011 3.744 1.00 0.00 H new ATOM 0 HB VAL A 91 21.727 -0.446 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.736 -2.210 6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.211 -1.558 7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.232 -3.150 6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.192 -2.311 4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 91 21.721 -3.234 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.055 -1.696 3.082 1.00 0.00 H new ATOM 1345 N THR A 92 18.201 -2.816 5.850 1.00 0.00 N ATOM 1346 CA THR A 92 17.538 -4.081 6.139 1.00 0.00 C ATOM 1347 C THR A 92 16.056 -4.066 5.738 1.00 0.00 C ATOM 1348 O THR A 92 15.265 -4.897 6.193 1.00 0.00 O ATOM 1349 CB THR A 92 17.801 -4.485 7.606 1.00 0.00 C ATOM 1350 OG1 THR A 92 17.363 -3.495 8.514 1.00 0.00 O ATOM 1351 CG2 THR A 92 19.292 -4.683 7.892 1.00 0.00 C ATOM 0 H THR A 92 17.938 -2.067 6.491 1.00 0.00 H new ATOM 0 HA THR A 92 17.970 -4.864 5.516 1.00 0.00 H new ATOM 0 HB THR A 92 17.250 -5.416 7.741 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.023 -2.722 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.428 -4.966 8.936 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.685 -5.470 7.248 1.00 0.00 H new ATOM 0 HG23 THR A 92 19.827 -3.754 7.696 1.00 0.00 H new ATOM 1359 N GLN A 93 15.677 -3.114 4.883 1.00 0.00 N ATOM 1360 CA GLN A 93 14.360 -3.069 4.257 1.00 0.00 C ATOM 1361 C GLN A 93 14.306 -4.065 3.088 1.00 0.00 C ATOM 1362 O GLN A 93 15.281 -4.769 2.809 1.00 0.00 O ATOM 1363 CB GLN A 93 14.005 -1.624 3.855 1.00 0.00 C ATOM 1364 CG GLN A 93 14.024 -0.650 5.048 1.00 0.00 C ATOM 1365 CD GLN A 93 13.239 -1.169 6.264 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.062 -1.513 6.185 1.00 0.00 O ATOM 1367 NE2 GLN A 93 13.889 -1.299 7.411 1.00 0.00 N ATOM 0 H GLN A 93 16.286 -2.344 4.604 1.00 0.00 H new ATOM 0 HA GLN A 93 13.595 -3.379 4.968 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.710 -1.279 3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.016 -1.612 3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.057 -0.465 5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.606 0.307 4.735 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.866 -1.014 7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.412 -1.684 8.226 1.00 0.00 H new ATOM 1376 N GLU A 94 13.153 -4.155 2.421 1.00 0.00 N ATOM 1377 CA GLU A 94 12.875 -5.198 1.439 1.00 0.00 C ATOM 1378 C GLU A 94 13.799 -5.133 0.226 1.00 0.00 C ATOM 1379 O GLU A 94 14.138 -6.179 -0.331 1.00 0.00 O ATOM 1380 CB GLU A 94 11.403 -5.150 1.000 1.00 0.00 C ATOM 1381 CG GLU A 94 10.405 -5.361 2.151 1.00 0.00 C ATOM 1382 CD GLU A 94 10.595 -6.711 2.868 1.00 0.00 C ATOM 1383 OE1 GLU A 94 10.253 -7.768 2.290 1.00 0.00 O ATOM 1384 OE2 GLU A 94 11.067 -6.731 4.027 1.00 0.00 O ATOM 0 H GLU A 94 12.382 -3.500 2.550 1.00 0.00 H new ATOM 0 HA GLU A 94 13.071 -6.151 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.205 -4.186 0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.235 -5.914 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.515 -4.553 2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.389 -5.303 1.760 1.00 0.00 H new ATOM 1391 N ILE A 95 14.237 -3.934 -0.165 1.00 0.00 N ATOM 1392 CA ILE A 95 15.130 -3.729 -1.298 1.00 0.00 C ATOM 1393 C ILE A 95 16.190 -2.728 -0.839 1.00 0.00 C ATOM 1394 O ILE A 95 15.848 -1.720 -0.212 1.00 0.00 O ATOM 1395 CB ILE A 95 14.317 -3.243 -2.508 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.314 -4.347 -2.923 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.241 -2.843 -3.682 1.00 0.00 C ATOM 1398 CD1 ILE A 95 12.632 -4.116 -4.266 1.00 0.00 C ATOM 0 H ILE A 95 13.975 -3.068 0.306 1.00 0.00 H new ATOM 0 HA ILE A 95 15.625 -4.646 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 95 13.761 -2.348 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 95 13.839 -5.302 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.548 -4.432 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.635 -2.504 -4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.905 -2.039 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.835 -3.704 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.948 -4.939 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.074 -3.180 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.385 -4.064 -5.052 1.00 0.00 H new ATOM 1410 N PHE A 96 17.455 -2.976 -1.190 1.00 0.00 N ATOM 1411 CA PHE A 96 18.551 -2.056 -0.985 1.00 0.00 C ATOM 1412 C PHE A 96 19.486 -2.143 -2.188 1.00 0.00 C ATOM 1413 O PHE A 96 19.782 -3.241 -2.665 1.00 0.00 O ATOM 1414 CB PHE A 96 19.321 -2.361 0.311 1.00 0.00 C ATOM 1415 CG PHE A 96 20.510 -1.428 0.478 1.00 0.00 C ATOM 1416 CD1 PHE A 96 21.744 -1.736 -0.135 1.00 0.00 C ATOM 1417 CD2 PHE A 96 20.332 -0.176 1.094 1.00 0.00 C ATOM 1418 CE1 PHE A 96 22.770 -0.776 -0.183 1.00 0.00 C ATOM 1419 CE2 PHE A 96 21.379 0.760 1.096 1.00 0.00 C ATOM 1420 CZ PHE A 96 22.595 0.463 0.454 1.00 0.00 C ATOM 0 H PHE A 96 17.741 -3.848 -1.635 1.00 0.00 H new ATOM 0 HA PHE A 96 18.149 -1.048 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 96 18.653 -2.259 1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 96 19.666 -3.395 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.900 -2.713 -0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.391 0.065 1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 96 23.689 -0.991 -0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 96 21.250 1.711 1.592 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.395 1.189 0.451 1.00 0.00 H new ATOM 1430 N GLU A 97 19.978 -0.991 -2.637 1.00 0.00 N ATOM 1431 CA GLU A 97 21.054 -0.848 -3.611 1.00 0.00 C ATOM 1432 C GLU A 97 21.845 0.414 -3.260 1.00 0.00 C ATOM 1433 O GLU A 97 21.332 1.290 -2.571 1.00 0.00 O ATOM 1434 CB GLU A 97 20.506 -0.690 -5.040 1.00 0.00 C ATOM 1435 CG GLU A 97 20.081 -2.013 -5.677 1.00 0.00 C ATOM 1436 CD GLU A 97 19.721 -1.847 -7.165 1.00 0.00 C ATOM 1437 OE1 GLU A 97 18.960 -0.917 -7.517 1.00 0.00 O ATOM 1438 OE2 GLU A 97 20.193 -2.660 -7.993 1.00 0.00 O ATOM 0 H GLU A 97 19.620 -0.091 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 97 21.676 -1.742 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.652 -0.014 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.268 -0.223 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 97 20.888 -2.739 -5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.223 -2.415 -5.139 1.00 0.00 H new ATOM 1445 N ASP A 98 23.066 0.521 -3.782 1.00 0.00 N ATOM 1446 CA ASP A 98 23.900 1.726 -3.769 1.00 0.00 C ATOM 1447 C ASP A 98 24.253 2.092 -5.211 1.00 0.00 C ATOM 1448 O ASP A 98 25.094 1.440 -5.834 1.00 0.00 O ATOM 1449 CB ASP A 98 25.158 1.611 -2.897 1.00 0.00 C ATOM 1450 CG ASP A 98 26.069 2.848 -3.089 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.607 3.994 -2.875 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.250 2.671 -3.464 1.00 0.00 O ATOM 0 H ASP A 98 23.523 -0.264 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 98 23.318 2.522 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 98 24.873 1.521 -1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 98 25.706 0.705 -3.157 1.00 0.00 H new ATOM 1457 N TRP A 99 23.550 3.076 -5.775 1.00 0.00 N ATOM 1458 CA TRP A 99 23.751 3.562 -7.137 1.00 0.00 C ATOM 1459 C TRP A 99 25.008 4.436 -7.163 1.00 0.00 C ATOM 1460 O TRP A 99 24.961 5.637 -6.889 1.00 0.00 O ATOM 1461 CB TRP A 99 22.489 4.272 -7.657 1.00 0.00 C ATOM 1462 CG TRP A 99 21.217 3.467 -7.749 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.022 2.155 -7.466 1.00 0.00 C ATOM 1464 CD2 TRP A 99 19.909 3.960 -8.154 1.00 0.00 C ATOM 1465 NE1 TRP A 99 19.702 1.811 -7.688 1.00 0.00 N ATOM 1466 CE2 TRP A 99 18.947 2.904 -8.058 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.450 5.228 -8.559 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.578 3.113 -8.321 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.090 5.450 -8.814 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.167 4.402 -8.690 1.00 0.00 C ATOM 0 H TRP A 99 22.805 3.569 -5.282 1.00 0.00 H new ATOM 0 HA TRP A 99 23.914 2.731 -7.824 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.297 5.129 -7.012 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.710 4.664 -8.650 1.00 0.00 H new ATOM 0 HD1 TRP A 99 21.787 1.477 -7.118 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.332 0.866 -7.590 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.154 6.039 -8.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 16.867 2.304 -8.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.751 6.433 -9.107 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.121 4.591 -8.882 1.00 0.00 H new ATOM 1481 N GLN A 100 26.150 3.805 -7.443 1.00 0.00 N ATOM 1482 CA GLN A 100 27.449 4.450 -7.551 1.00 0.00 C ATOM 1483 C GLN A 100 27.450 5.417 -8.743 1.00 0.00 C ATOM 1484 O GLN A 100 27.596 4.991 -9.890 1.00 0.00 O ATOM 1485 CB GLN A 100 28.534 3.360 -7.660 1.00 0.00 C ATOM 1486 CG GLN A 100 29.963 3.926 -7.628 1.00 0.00 C ATOM 1487 CD GLN A 100 31.022 2.837 -7.822 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.768 2.841 -8.798 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.119 1.880 -6.911 1.00 0.00 N ATOM 0 H GLN A 100 26.192 2.799 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 100 27.665 5.047 -6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.412 2.651 -6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.390 2.804 -8.587 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.071 4.679 -8.409 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.132 4.428 -6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 100 30.497 1.881 -6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 100 31.815 1.142 -7.018 1.00 0.00 H new ATOM 1498 N LEU A 101 27.289 6.715 -8.469 1.00 0.00 N ATOM 1499 CA LEU A 101 27.254 7.782 -9.463 1.00 0.00 C ATOM 1500 C LEU A 101 28.205 8.908 -9.083 1.00 0.00 C ATOM 1501 O LEU A 101 28.479 9.120 -7.898 1.00 0.00 O ATOM 1502 CB LEU A 101 25.827 8.351 -9.559 1.00 0.00 C ATOM 1503 CG LEU A 101 24.904 7.715 -10.614 1.00 0.00 C ATOM 1504 CD1 LEU A 101 25.566 7.478 -11.977 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.248 6.422 -10.134 1.00 0.00 C ATOM 0 H LEU A 101 27.176 7.059 -7.516 1.00 0.00 H new ATOM 0 HA LEU A 101 27.561 7.365 -10.422 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.352 8.248 -8.583 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.899 9.419 -9.767 1.00 0.00 H new ATOM 0 HG LEU A 101 24.131 8.470 -10.757 1.00 0.00 H new ATOM 0 HD11 LEU A 101 24.844 7.028 -12.659 1.00 0.00 H new ATOM 0 HD12 LEU A 101 25.907 8.429 -12.386 1.00 0.00 H new ATOM 0 HD13 LEU A 101 26.418 6.809 -11.856 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.610 6.023 -10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 101 25.019 5.692 -9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 101 23.646 6.626 -9.249 1.00 0.00 H new ATOM 1517 N GLU A 102 28.646 9.657 -10.096 1.00 0.00 N ATOM 1518 CA GLU A 102 29.562 10.778 -9.994 1.00 0.00 C ATOM 1519 C GLU A 102 28.828 12.008 -9.495 1.00 0.00 C ATOM 1520 O GLU A 102 28.416 12.853 -10.284 1.00 0.00 O ATOM 1521 CB GLU A 102 30.298 11.015 -11.328 1.00 0.00 C ATOM 1522 CG GLU A 102 31.239 9.854 -11.677 1.00 0.00 C ATOM 1523 CD GLU A 102 32.045 10.143 -12.956 1.00 0.00 C ATOM 1524 OE1 GLU A 102 31.573 9.816 -14.068 1.00 0.00 O ATOM 1525 OE2 GLU A 102 33.175 10.676 -12.861 1.00 0.00 O ATOM 0 H GLU A 102 28.354 9.482 -11.058 1.00 0.00 H new ATOM 0 HA GLU A 102 30.334 10.545 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.568 11.144 -12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.871 11.941 -11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 102 31.923 9.677 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.658 8.942 -11.811 1.00 0.00 H new ATOM 1532 N ASP A 103 28.644 12.050 -8.173 1.00 0.00 N ATOM 1533 CA ASP A 103 27.903 13.067 -7.436 1.00 0.00 C ATOM 1534 C ASP A 103 28.062 14.473 -8.043 1.00 0.00 C ATOM 1535 O ASP A 103 29.159 15.043 -7.991 1.00 0.00 O ATOM 1536 CB ASP A 103 28.296 13.069 -5.979 1.00 0.00 C ATOM 1537 CG ASP A 103 27.305 13.981 -5.253 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.546 15.209 -5.243 1.00 0.00 O ATOM 1539 OD2 ASP A 103 26.279 13.463 -4.762 1.00 0.00 O ATOM 0 H ASP A 103 29.031 11.334 -7.558 1.00 0.00 H new ATOM 0 HA ASP A 103 26.848 12.804 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.264 12.060 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.317 13.431 -5.855 1.00 0.00 H new ATOM 1544 N PRO A 104 26.996 14.998 -8.669 1.00 0.00 N ATOM 1545 CA PRO A 104 27.005 16.225 -9.453 1.00 0.00 C ATOM 1546 C PRO A 104 27.404 17.523 -8.737 1.00 0.00 C ATOM 1547 O PRO A 104 27.488 18.555 -9.399 1.00 0.00 O ATOM 1548 CB PRO A 104 25.619 16.336 -10.077 1.00 0.00 C ATOM 1549 CG PRO A 104 25.127 14.903 -10.145 1.00 0.00 C ATOM 1550 CD PRO A 104 25.826 14.204 -8.992 1.00 0.00 C ATOM 0 HA PRO A 104 27.809 16.132 -10.183 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.958 16.956 -9.471 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.663 16.790 -11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 104 24.043 14.851 -10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.379 14.442 -11.100 1.00 0.00 H new ATOM 0 HD2 PRO A 104 25.164 14.123 -8.130 1.00 0.00 H new ATOM 0 HD3 PRO A 104 26.112 13.190 -9.271 1.00 0.00 H new ATOM 1558 N ASP A 105 27.679 17.519 -7.433 1.00 0.00 N ATOM 1559 CA ASP A 105 28.157 18.699 -6.702 1.00 0.00 C ATOM 1560 C ASP A 105 29.402 19.327 -7.351 1.00 0.00 C ATOM 1561 O ASP A 105 30.532 18.874 -7.159 1.00 0.00 O ATOM 1562 CB ASP A 105 28.439 18.347 -5.238 1.00 0.00 C ATOM 1563 CG ASP A 105 29.116 19.500 -4.477 1.00 0.00 C ATOM 1564 OD1 ASP A 105 28.564 20.621 -4.446 1.00 0.00 O ATOM 1565 OD2 ASP A 105 30.188 19.284 -3.868 1.00 0.00 O ATOM 0 H ASP A 105 27.576 16.691 -6.846 1.00 0.00 H new ATOM 0 HA ASP A 105 27.362 19.443 -6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 105 27.503 18.089 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 105 29.076 17.464 -5.196 1.00 0.00 H new ATOM 1570 N GLY A 106 29.171 20.380 -8.134 1.00 0.00 N ATOM 1571 CA GLY A 106 30.174 21.256 -8.722 1.00 0.00 C ATOM 1572 C GLY A 106 30.688 20.753 -10.072 1.00 0.00 C ATOM 1573 O GLY A 106 31.774 21.163 -10.486 1.00 0.00 O ATOM 0 H GLY A 106 28.223 20.657 -8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.749 22.252 -8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 106 31.013 21.353 -8.033 1.00 0.00 H new ATOM 1577 N GLN A 107 29.958 19.853 -10.743 1.00 0.00 N ATOM 1578 CA GLN A 107 30.474 19.155 -11.920 1.00 0.00 C ATOM 1579 C GLN A 107 30.066 19.833 -13.233 1.00 0.00 C ATOM 1580 O GLN A 107 29.326 20.820 -13.253 1.00 0.00 O ATOM 1581 CB GLN A 107 30.016 17.689 -11.914 1.00 0.00 C ATOM 1582 CG GLN A 107 30.197 16.953 -10.584 1.00 0.00 C ATOM 1583 CD GLN A 107 31.621 16.635 -10.140 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.617 17.057 -10.722 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.719 15.847 -9.083 1.00 0.00 N ATOM 0 H GLN A 107 29.006 19.593 -10.487 1.00 0.00 H new ATOM 0 HA GLN A 107 31.562 19.196 -11.863 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.962 17.654 -12.190 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.566 17.151 -12.686 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.727 17.551 -9.803 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.646 16.014 -10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.876 15.510 -8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.638 15.576 -8.733 1.00 0.00 H new ATOM 1594 N SER A 108 30.559 19.270 -14.335 1.00 0.00 N ATOM 1595 CA SER A 108 30.248 19.669 -15.698 1.00 0.00 C ATOM 1596 C SER A 108 28.845 19.184 -16.073 1.00 0.00 C ATOM 1597 O SER A 108 28.387 18.165 -15.550 1.00 0.00 O ATOM 1598 CB SER A 108 31.291 19.012 -16.609 1.00 0.00 C ATOM 1599 OG SER A 108 32.605 19.399 -16.234 1.00 0.00 O ATOM 0 H SER A 108 31.214 18.489 -14.296 1.00 0.00 H new ATOM 0 HA SER A 108 30.271 20.754 -15.802 1.00 0.00 H new ATOM 0 HB2 SER A 108 31.197 17.927 -16.554 1.00 0.00 H new ATOM 0 HB3 SER A 108 31.105 19.296 -17.645 1.00 0.00 H new ATOM 0 HG SER A 108 33.255 18.967 -16.827 1.00 0.00 H new ATOM 1605 N LEU A 109 28.182 19.847 -17.029 1.00 0.00 N ATOM 1606 CA LEU A 109 26.840 19.452 -17.473 1.00 0.00 C ATOM 1607 C LEU A 109 26.823 18.031 -18.020 1.00 0.00 C ATOM 1608 O LEU A 109 25.808 17.356 -17.901 1.00 0.00 O ATOM 1609 CB LEU A 109 26.286 20.397 -18.551 1.00 0.00 C ATOM 1610 CG LEU A 109 25.958 21.809 -18.036 1.00 0.00 C ATOM 1611 CD1 LEU A 109 25.594 22.716 -19.216 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.801 21.812 -17.027 1.00 0.00 C ATOM 0 H LEU A 109 28.556 20.664 -17.512 1.00 0.00 H new ATOM 0 HA LEU A 109 26.206 19.509 -16.588 1.00 0.00 H new ATOM 0 HB2 LEU A 109 27.013 20.476 -19.359 1.00 0.00 H new ATOM 0 HB3 LEU A 109 25.384 19.958 -18.976 1.00 0.00 H new ATOM 0 HG LEU A 109 26.847 22.179 -17.525 1.00 0.00 H new ATOM 0 HD11 LEU A 109 25.362 23.716 -18.849 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.435 22.770 -19.907 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.725 22.309 -19.733 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.610 22.833 -16.695 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.905 21.411 -17.500 1.00 0.00 H new ATOM 0 HD23 LEU A 109 25.065 21.195 -16.168 1.00 0.00 H new ATOM 1624 N GLU A 110 27.932 17.563 -18.595 1.00 0.00 N ATOM 1625 CA GLU A 110 28.058 16.189 -19.064 1.00 0.00 C ATOM 1626 C GLU A 110 27.934 15.199 -17.897 1.00 0.00 C ATOM 1627 O GLU A 110 27.284 14.164 -18.041 1.00 0.00 O ATOM 1628 CB GLU A 110 29.392 16.044 -19.810 1.00 0.00 C ATOM 1629 CG GLU A 110 29.554 14.663 -20.462 1.00 0.00 C ATOM 1630 CD GLU A 110 30.843 14.582 -21.298 1.00 0.00 C ATOM 1631 OE1 GLU A 110 31.916 14.249 -20.744 1.00 0.00 O ATOM 1632 OE2 GLU A 110 30.798 14.832 -22.524 1.00 0.00 O ATOM 0 H GLU A 110 28.767 18.129 -18.747 1.00 0.00 H new ATOM 0 HA GLU A 110 27.247 15.954 -19.753 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.461 16.815 -20.577 1.00 0.00 H new ATOM 0 HB3 GLU A 110 30.214 16.212 -19.114 1.00 0.00 H new ATOM 0 HG2 GLU A 110 29.571 13.894 -19.689 1.00 0.00 H new ATOM 0 HG3 GLU A 110 28.693 14.456 -21.098 1.00 0.00 H new ATOM 1639 N VAL A 111 28.502 15.517 -16.728 1.00 0.00 N ATOM 1640 CA VAL A 111 28.384 14.676 -15.539 1.00 0.00 C ATOM 1641 C VAL A 111 26.932 14.712 -15.066 1.00 0.00 C ATOM 1642 O VAL A 111 26.350 13.655 -14.835 1.00 0.00 O ATOM 1643 CB VAL A 111 29.364 15.130 -14.442 1.00 0.00 C ATOM 1644 CG1 VAL A 111 29.234 14.269 -13.178 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.819 15.062 -14.935 1.00 0.00 C ATOM 0 H VAL A 111 29.054 16.362 -16.583 1.00 0.00 H new ATOM 0 HA VAL A 111 28.652 13.647 -15.779 1.00 0.00 H new ATOM 0 HB VAL A 111 29.106 16.161 -14.202 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.941 14.618 -12.425 1.00 0.00 H new ATOM 0 HG12 VAL A 111 28.220 14.347 -12.787 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.449 13.229 -13.423 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.488 15.388 -14.139 1.00 0.00 H new ATOM 0 HG22 VAL A 111 31.061 14.037 -15.215 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.941 15.713 -15.801 1.00 0.00 H new ATOM 1655 N PHE A 112 26.325 15.902 -14.988 1.00 0.00 N ATOM 1656 CA PHE A 112 24.919 16.040 -14.622 1.00 0.00 C ATOM 1657 C PHE A 112 24.030 15.198 -15.542 1.00 0.00 C ATOM 1658 O PHE A 112 23.230 14.410 -15.047 1.00 0.00 O ATOM 1659 CB PHE A 112 24.495 17.510 -14.665 1.00 0.00 C ATOM 1660 CG PHE A 112 24.744 18.266 -13.386 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.755 18.287 -12.382 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.967 18.929 -13.191 1.00 0.00 C ATOM 1663 CE1 PHE A 112 24.010 18.938 -11.165 1.00 0.00 C ATOM 1664 CE2 PHE A 112 26.222 19.574 -11.975 1.00 0.00 C ATOM 1665 CZ PHE A 112 25.257 19.551 -10.959 1.00 0.00 C ATOM 0 H PHE A 112 26.794 16.788 -15.176 1.00 0.00 H new ATOM 0 HA PHE A 112 24.796 15.674 -13.603 1.00 0.00 H new ATOM 0 HB2 PHE A 112 25.028 18.006 -15.476 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.433 17.563 -14.903 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.804 17.804 -12.549 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.708 18.941 -13.977 1.00 0.00 H new ATOM 0 HE1 PHE A 112 23.254 18.967 -10.394 1.00 0.00 H new ATOM 0 HE2 PHE A 112 27.159 20.088 -11.820 1.00 0.00 H new ATOM 0 HZ PHE A 112 25.475 20.010 -10.006 1.00 0.00 H new ATOM 1675 N ARG A 113 24.182 15.318 -16.864 1.00 0.00 N ATOM 1676 CA ARG A 113 23.429 14.538 -17.847 1.00 0.00 C ATOM 1677 C ARG A 113 23.671 13.043 -17.694 1.00 0.00 C ATOM 1678 O ARG A 113 22.702 12.286 -17.750 1.00 0.00 O ATOM 1679 CB ARG A 113 23.758 15.028 -19.272 1.00 0.00 C ATOM 1680 CG ARG A 113 22.888 16.248 -19.607 1.00 0.00 C ATOM 1681 CD ARG A 113 23.515 17.242 -20.578 1.00 0.00 C ATOM 1682 NE ARG A 113 22.552 18.292 -20.955 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.824 19.349 -21.729 1.00 0.00 C ATOM 1684 NH1 ARG A 113 24.048 19.536 -22.223 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.863 20.219 -22.006 1.00 0.00 N ATOM 0 H ARG A 113 24.842 15.970 -17.287 1.00 0.00 H new ATOM 0 HA ARG A 113 22.366 14.696 -17.665 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.814 15.290 -19.343 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.578 14.231 -19.993 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.945 15.898 -20.028 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.649 16.770 -18.680 1.00 0.00 H new ATOM 0 HD2 ARG A 113 24.394 17.697 -20.121 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.855 16.718 -21.471 1.00 0.00 H new ATOM 0 HE ARG A 113 21.601 18.206 -20.597 1.00 0.00 H new ATOM 0 HH11 ARG A 113 24.790 18.869 -22.012 1.00 0.00 H new ATOM 0 HH12 ARG A 113 24.242 20.346 -22.812 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.925 20.080 -21.630 1.00 0.00 H new ATOM 0 HH22 ARG A 113 22.061 21.028 -22.595 1.00 0.00 H new ATOM 1699 N THR A 114 24.911 12.605 -17.465 1.00 0.00 N ATOM 1700 CA THR A 114 25.214 11.206 -17.255 1.00 0.00 C ATOM 1701 C THR A 114 24.460 10.709 -16.019 1.00 0.00 C ATOM 1702 O THR A 114 23.726 9.724 -16.106 1.00 0.00 O ATOM 1703 CB THR A 114 26.739 11.058 -17.136 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.376 11.512 -18.315 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.138 9.608 -16.911 1.00 0.00 C ATOM 0 H THR A 114 25.726 13.217 -17.422 1.00 0.00 H new ATOM 0 HA THR A 114 24.886 10.589 -18.091 1.00 0.00 H new ATOM 0 HB THR A 114 27.052 11.659 -16.282 1.00 0.00 H new ATOM 0 HG1 THR A 114 27.626 12.454 -18.210 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.223 9.537 -16.831 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.682 9.244 -15.990 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.796 9.002 -17.750 1.00 0.00 H new ATOM 1713 N VAL A 115 24.583 11.406 -14.887 1.00 0.00 N ATOM 1714 CA VAL A 115 23.924 11.021 -13.650 1.00 0.00 C ATOM 1715 C VAL A 115 22.411 11.039 -13.843 1.00 0.00 C ATOM 1716 O VAL A 115 21.777 10.046 -13.501 1.00 0.00 O ATOM 1717 CB VAL A 115 24.412 11.902 -12.492 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.622 11.685 -11.192 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.897 11.631 -12.205 1.00 0.00 C ATOM 0 H VAL A 115 25.145 12.254 -14.809 1.00 0.00 H new ATOM 0 HA VAL A 115 24.189 9.998 -13.382 1.00 0.00 H new ATOM 0 HB VAL A 115 24.257 12.932 -12.813 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.017 12.337 -10.413 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.571 11.918 -11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.717 10.646 -10.877 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.230 12.263 -11.381 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.030 10.583 -11.935 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.486 11.854 -13.094 1.00 0.00 H new ATOM 1729 N ARG A 116 21.830 12.092 -14.438 1.00 0.00 N ATOM 1730 CA ARG A 116 20.394 12.173 -14.681 1.00 0.00 C ATOM 1731 C ARG A 116 19.951 10.934 -15.434 1.00 0.00 C ATOM 1732 O ARG A 116 18.991 10.303 -15.011 1.00 0.00 O ATOM 1733 CB ARG A 116 20.001 13.465 -15.438 1.00 0.00 C ATOM 1734 CG ARG A 116 18.609 13.308 -16.086 1.00 0.00 C ATOM 1735 CD ARG A 116 17.913 14.583 -16.552 1.00 0.00 C ATOM 1736 NE ARG A 116 18.581 15.231 -17.700 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.439 14.886 -18.989 1.00 0.00 C ATOM 1738 NH1 ARG A 116 17.713 13.825 -19.337 1.00 0.00 N ATOM 1739 NH2 ARG A 116 19.024 15.604 -19.939 1.00 0.00 N ATOM 0 H ARG A 116 22.349 12.908 -14.762 1.00 0.00 H new ATOM 0 HA ARG A 116 19.880 12.218 -13.721 1.00 0.00 H new ATOM 0 HB2 ARG A 116 19.995 14.310 -14.749 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.743 13.684 -16.205 1.00 0.00 H new ATOM 0 HG2 ARG A 116 18.708 12.643 -16.944 1.00 0.00 H new ATOM 0 HG3 ARG A 116 17.957 12.809 -15.370 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.885 14.347 -16.825 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.869 15.288 -15.722 1.00 0.00 H new ATOM 0 HE ARG A 116 19.206 16.010 -17.494 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.256 13.262 -18.620 1.00 0.00 H new ATOM 0 HH12 ARG A 116 17.614 13.575 -20.321 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.583 16.420 -19.690 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.915 15.340 -20.918 1.00 0.00 H new ATOM 1753 N GLY A 117 20.618 10.604 -16.537 1.00 0.00 N ATOM 1754 CA GLY A 117 20.163 9.519 -17.385 1.00 0.00 C ATOM 1755 C GLY A 117 20.237 8.198 -16.638 1.00 0.00 C ATOM 1756 O GLY A 117 19.243 7.476 -16.594 1.00 0.00 O ATOM 0 H GLY A 117 21.467 11.070 -16.858 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.138 9.705 -17.707 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.776 9.470 -18.285 1.00 0.00 H new ATOM 1760 N GLN A 118 21.372 7.915 -15.994 1.00 0.00 N ATOM 1761 CA GLN A 118 21.607 6.673 -15.273 1.00 0.00 C ATOM 1762 C GLN A 118 20.589 6.514 -14.135 1.00 0.00 C ATOM 1763 O GLN A 118 19.912 5.489 -14.036 1.00 0.00 O ATOM 1764 CB GLN A 118 23.051 6.679 -14.739 1.00 0.00 C ATOM 1765 CG GLN A 118 24.154 6.684 -15.820 1.00 0.00 C ATOM 1766 CD GLN A 118 24.721 5.305 -16.171 1.00 0.00 C ATOM 1767 OE1 GLN A 118 23.999 4.336 -16.389 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.037 5.179 -16.236 1.00 0.00 N ATOM 0 H GLN A 118 22.164 8.557 -15.962 1.00 0.00 H new ATOM 0 HA GLN A 118 21.479 5.822 -15.942 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.183 7.556 -14.105 1.00 0.00 H new ATOM 0 HB3 GLN A 118 23.190 5.803 -14.105 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.752 7.136 -16.726 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.971 7.321 -15.481 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.636 5.984 -16.055 1.00 0.00 H new ATOM 0 HE22 GLN A 118 26.452 4.276 -16.467 1.00 0.00 H new ATOM 1777 N VAL A 119 20.471 7.531 -13.283 1.00 0.00 N ATOM 1778 CA VAL A 119 19.517 7.604 -12.183 1.00 0.00 C ATOM 1779 C VAL A 119 18.087 7.470 -12.710 1.00 0.00 C ATOM 1780 O VAL A 119 17.361 6.639 -12.174 1.00 0.00 O ATOM 1781 CB VAL A 119 19.741 8.904 -11.374 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.683 9.160 -10.295 1.00 0.00 C ATOM 1783 CG2 VAL A 119 21.102 8.869 -10.655 1.00 0.00 C ATOM 0 H VAL A 119 21.063 8.359 -13.345 1.00 0.00 H new ATOM 0 HA VAL A 119 19.678 6.770 -11.499 1.00 0.00 H new ATOM 0 HB VAL A 119 19.685 9.700 -12.116 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.912 10.090 -9.774 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.700 9.237 -10.760 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.683 8.335 -9.582 1.00 0.00 H new ATOM 0 HG21 VAL A 119 21.240 9.792 -10.092 1.00 0.00 H new ATOM 0 HG22 VAL A 119 21.131 8.020 -9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.900 8.770 -11.391 1.00 0.00 H new ATOM 1793 N LYS A 120 17.657 8.214 -13.740 1.00 0.00 N ATOM 1794 CA LYS A 120 16.281 8.130 -14.231 1.00 0.00 C ATOM 1795 C LYS A 120 15.950 6.705 -14.660 1.00 0.00 C ATOM 1796 O LYS A 120 14.930 6.158 -14.249 1.00 0.00 O ATOM 1797 CB LYS A 120 16.093 9.141 -15.373 1.00 0.00 C ATOM 1798 CG LYS A 120 14.727 9.012 -16.056 1.00 0.00 C ATOM 1799 CD LYS A 120 14.553 10.084 -17.139 1.00 0.00 C ATOM 1800 CE LYS A 120 13.236 9.889 -17.903 1.00 0.00 C ATOM 1801 NZ LYS A 120 13.236 8.695 -18.787 1.00 0.00 N ATOM 0 H LYS A 120 18.244 8.878 -14.245 1.00 0.00 H new ATOM 0 HA LYS A 120 15.584 8.384 -13.432 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.205 10.152 -14.980 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.880 8.998 -16.113 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.630 8.021 -16.500 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.934 9.107 -15.314 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.569 11.073 -16.682 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.391 10.041 -17.835 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.419 9.801 -17.187 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.039 10.777 -18.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.629 8.874 -19.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.206 8.500 -19.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.873 7.874 -18.262 1.00 0.00 H new ATOM 1815 N GLU A 121 16.831 6.096 -15.444 1.00 0.00 N ATOM 1816 CA GLU A 121 16.731 4.707 -15.861 1.00 0.00 C ATOM 1817 C GLU A 121 16.585 3.792 -14.645 1.00 0.00 C ATOM 1818 O GLU A 121 15.742 2.898 -14.646 1.00 0.00 O ATOM 1819 CB GLU A 121 17.971 4.381 -16.720 1.00 0.00 C ATOM 1820 CG GLU A 121 18.700 3.070 -16.422 1.00 0.00 C ATOM 1821 CD GLU A 121 19.787 2.769 -17.468 1.00 0.00 C ATOM 1822 OE1 GLU A 121 19.471 2.170 -18.523 1.00 0.00 O ATOM 1823 OE2 GLU A 121 20.969 3.106 -17.230 1.00 0.00 O ATOM 0 H GLU A 121 17.655 6.568 -15.816 1.00 0.00 H new ATOM 0 HA GLU A 121 15.839 4.540 -16.465 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.664 4.367 -17.766 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.684 5.198 -16.608 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.153 3.123 -15.432 1.00 0.00 H new ATOM 0 HG3 GLU A 121 17.981 2.251 -16.400 1.00 0.00 H new ATOM 1830 N ARG A 122 17.388 4.004 -13.603 1.00 0.00 N ATOM 1831 CA ARG A 122 17.368 3.145 -12.423 1.00 0.00 C ATOM 1832 C ARG A 122 16.085 3.349 -11.618 1.00 0.00 C ATOM 1833 O ARG A 122 15.520 2.355 -11.180 1.00 0.00 O ATOM 1834 CB ARG A 122 18.638 3.351 -11.591 1.00 0.00 C ATOM 1835 CG ARG A 122 19.862 2.687 -12.229 1.00 0.00 C ATOM 1836 CD ARG A 122 21.168 3.367 -11.790 1.00 0.00 C ATOM 1837 NE ARG A 122 22.352 2.796 -12.466 1.00 0.00 N ATOM 1838 CZ ARG A 122 22.638 2.880 -13.774 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.800 3.473 -14.613 1.00 0.00 N ATOM 1840 NH2 ARG A 122 23.767 2.381 -14.257 1.00 0.00 N ATOM 0 H ARG A 122 18.063 4.767 -13.554 1.00 0.00 H new ATOM 0 HA ARG A 122 17.364 2.102 -12.741 1.00 0.00 H new ATOM 0 HB2 ARG A 122 18.825 4.419 -11.475 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.486 2.944 -10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 122 19.890 1.633 -11.953 1.00 0.00 H new ATOM 0 HG3 ARG A 122 19.776 2.731 -13.315 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.109 4.434 -12.004 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.284 3.264 -10.711 1.00 0.00 H new ATOM 0 HE ARG A 122 23.016 2.289 -11.881 1.00 0.00 H new ATOM 0 HH11 ARG A 122 20.927 3.871 -14.266 1.00 0.00 H new ATOM 0 HH12 ARG A 122 22.028 3.531 -15.606 1.00 0.00 H new ATOM 0 HH21 ARG A 122 24.432 1.926 -13.632 1.00 0.00 H new ATOM 0 HH22 ARG A 122 23.971 2.452 -15.254 1.00 0.00 H new ATOM 1854 N VAL A 123 15.574 4.572 -11.455 1.00 0.00 N ATOM 1855 CA VAL A 123 14.255 4.831 -10.899 1.00 0.00 C ATOM 1856 C VAL A 123 13.206 4.045 -11.693 1.00 0.00 C ATOM 1857 O VAL A 123 12.408 3.339 -11.080 1.00 0.00 O ATOM 1858 CB VAL A 123 13.983 6.347 -10.895 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.558 6.650 -10.443 1.00 0.00 C ATOM 1860 CG2 VAL A 123 14.916 7.117 -9.949 1.00 0.00 C ATOM 0 H VAL A 123 16.078 5.421 -11.712 1.00 0.00 H new ATOM 0 HA VAL A 123 14.202 4.493 -9.864 1.00 0.00 H new ATOM 0 HB VAL A 123 14.153 6.668 -11.923 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.395 7.728 -10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.852 6.172 -11.122 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.407 6.267 -9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.678 8.180 -9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.783 6.753 -8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 123 15.951 6.966 -10.256 1.00 0.00 H new ATOM 1870 N GLU A 124 13.210 4.111 -13.030 1.00 0.00 N ATOM 1871 CA GLU A 124 12.249 3.367 -13.839 1.00 0.00 C ATOM 1872 C GLU A 124 12.391 1.862 -13.595 1.00 0.00 C ATOM 1873 O GLU A 124 11.396 1.147 -13.485 1.00 0.00 O ATOM 1874 CB GLU A 124 12.402 3.673 -15.342 1.00 0.00 C ATOM 1875 CG GLU A 124 11.987 5.100 -15.721 1.00 0.00 C ATOM 1876 CD GLU A 124 12.082 5.357 -17.235 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.305 4.756 -18.012 1.00 0.00 O ATOM 1878 OE2 GLU A 124 12.912 6.195 -17.658 1.00 0.00 O ATOM 0 H GLU A 124 13.869 4.672 -13.570 1.00 0.00 H new ATOM 0 HA GLU A 124 11.254 3.689 -13.533 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.441 3.516 -15.633 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.801 2.965 -15.912 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.964 5.278 -15.389 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.622 5.812 -15.194 1.00 0.00 H new ATOM 1885 N ASN A 125 13.630 1.389 -13.465 1.00 0.00 N ATOM 1886 CA ASN A 125 13.953 -0.006 -13.210 1.00 0.00 C ATOM 1887 C ASN A 125 13.387 -0.447 -11.864 1.00 0.00 C ATOM 1888 O ASN A 125 12.758 -1.497 -11.768 1.00 0.00 O ATOM 1889 CB ASN A 125 15.476 -0.211 -13.259 1.00 0.00 C ATOM 1890 CG ASN A 125 15.836 -1.628 -13.673 1.00 0.00 C ATOM 1891 OD1 ASN A 125 15.706 -2.577 -12.904 1.00 0.00 O ATOM 1892 ND2 ASN A 125 16.299 -1.789 -14.902 1.00 0.00 N ATOM 0 H ASN A 125 14.455 1.984 -13.537 1.00 0.00 H new ATOM 0 HA ASN A 125 13.497 -0.622 -13.985 1.00 0.00 H new ATOM 0 HB2 ASN A 125 15.917 0.497 -13.961 1.00 0.00 H new ATOM 0 HB3 ASN A 125 15.904 0.003 -12.280 1.00 0.00 H new ATOM 0 HD21 ASN A 125 16.558 -2.719 -15.232 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.397 -0.983 -15.520 1.00 0.00 H new ATOM 1899 N LEU A 126 13.577 0.374 -10.827 1.00 0.00 N ATOM 1900 CA LEU A 126 13.091 0.120 -9.479 1.00 0.00 C ATOM 1901 C LEU A 126 11.564 0.090 -9.479 1.00 0.00 C ATOM 1902 O LEU A 126 10.990 -0.871 -8.983 1.00 0.00 O ATOM 1903 CB LEU A 126 13.776 1.037 -8.432 1.00 0.00 C ATOM 1904 CG LEU A 126 12.902 2.139 -7.818 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.003 1.621 -6.689 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.744 3.264 -7.228 1.00 0.00 C ATOM 0 H LEU A 126 14.086 1.254 -10.910 1.00 0.00 H new ATOM 0 HA LEU A 126 13.390 -0.873 -9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.155 0.411 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.640 1.507 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 126 12.290 2.502 -8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.407 2.443 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.341 0.847 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.621 1.204 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.089 4.024 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.390 2.864 -6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.357 3.710 -8.012 1.00 0.00 H new ATOM 1918 N ILE A 127 10.908 1.072 -10.095 1.00 0.00 N ATOM 1919 CA ILE A 127 9.459 1.129 -10.249 1.00 0.00 C ATOM 1920 C ILE A 127 8.944 -0.122 -10.967 1.00 0.00 C ATOM 1921 O ILE A 127 7.884 -0.626 -10.599 1.00 0.00 O ATOM 1922 CB ILE A 127 9.103 2.429 -11.008 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.279 3.667 -10.100 1.00 0.00 C ATOM 1924 CG2 ILE A 127 7.674 2.384 -11.565 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.264 4.994 -10.874 1.00 0.00 C ATOM 0 H ILE A 127 11.385 1.871 -10.512 1.00 0.00 H new ATOM 0 HA ILE A 127 8.971 1.147 -9.274 1.00 0.00 H new ATOM 0 HB ILE A 127 9.793 2.510 -11.848 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.483 3.679 -9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.221 3.581 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.459 3.314 -12.092 1.00 0.00 H new ATOM 0 HG22 ILE A 127 7.579 1.546 -12.255 1.00 0.00 H new ATOM 0 HG23 ILE A 127 6.967 2.260 -10.744 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.392 5.823 -10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.077 5.001 -11.600 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.312 5.101 -11.394 1.00 0.00 H new ATOM 1937 N ALA A 128 9.647 -0.649 -11.969 1.00 0.00 N ATOM 1938 CA ALA A 128 9.135 -1.757 -12.779 1.00 0.00 C ATOM 1939 C ALA A 128 8.878 -3.008 -11.924 1.00 0.00 C ATOM 1940 O ALA A 128 7.996 -3.812 -12.225 1.00 0.00 O ATOM 1941 CB ALA A 128 10.108 -2.070 -13.921 1.00 0.00 C ATOM 0 H ALA A 128 10.576 -0.326 -12.241 1.00 0.00 H new ATOM 0 HA ALA A 128 8.179 -1.451 -13.205 1.00 0.00 H new ATOM 0 HB1 ALA A 128 9.717 -2.895 -14.516 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.223 -1.189 -14.553 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.077 -2.349 -13.507 1.00 0.00 H new ATOM 1947 N LYS A 129 9.645 -3.152 -10.842 1.00 0.00 N ATOM 1948 CA LYS A 129 9.594 -4.260 -9.899 1.00 0.00 C ATOM 1949 C LYS A 129 8.361 -4.207 -8.985 1.00 0.00 C ATOM 1950 O LYS A 129 7.996 -5.233 -8.412 1.00 0.00 O ATOM 1951 CB LYS A 129 10.870 -4.209 -9.053 1.00 0.00 C ATOM 1952 CG LYS A 129 12.138 -4.385 -9.908 1.00 0.00 C ATOM 1953 CD LYS A 129 13.403 -4.087 -9.096 1.00 0.00 C ATOM 1954 CE LYS A 129 14.576 -3.633 -9.981 1.00 0.00 C ATOM 1955 NZ LYS A 129 14.959 -4.610 -11.030 1.00 0.00 N ATOM 0 H LYS A 129 10.353 -2.462 -10.591 1.00 0.00 H new ATOM 0 HA LYS A 129 9.521 -5.191 -10.461 1.00 0.00 H new ATOM 0 HB2 LYS A 129 10.918 -3.256 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.833 -4.991 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.182 -5.404 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.092 -3.721 -10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.185 -3.312 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.694 -4.979 -8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.313 -2.689 -10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.441 -3.439 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 15.281 -4.101 -11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.728 -5.215 -10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.137 -5.200 -11.272 1.00 0.00 H new ATOM 1969 N ILE A 130 7.723 -3.039 -8.845 1.00 0.00 N ATOM 1970 CA ILE A 130 6.693 -2.736 -7.865 1.00 0.00 C ATOM 1971 C ILE A 130 5.383 -2.200 -8.453 1.00 0.00 C ATOM 1972 O ILE A 130 4.340 -2.273 -7.801 1.00 0.00 O ATOM 1973 CB ILE A 130 7.292 -1.749 -6.842 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.004 -0.527 -7.453 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.223 -2.543 -5.907 1.00 0.00 C ATOM 1976 CD1 ILE A 130 8.803 0.316 -6.458 1.00 0.00 C ATOM 0 H ILE A 130 7.928 -2.242 -9.448 1.00 0.00 H new ATOM 0 HA ILE A 130 6.402 -3.674 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 130 6.463 -1.307 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 130 8.677 -0.872 -8.238 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.258 0.109 -7.930 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.662 -1.868 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.651 -3.316 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.017 -3.007 -6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.268 1.152 -6.980 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.135 0.697 -5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.576 -0.299 -5.998 1.00 0.00 H new ATOM 1988 N SER A 131 5.447 -1.684 -9.676 1.00 0.00 N ATOM 1989 CA SER A 131 4.317 -1.302 -10.520 1.00 0.00 C ATOM 1990 C SER A 131 3.207 -2.358 -10.457 1.00 0.00 C ATOM 1991 O SER A 131 2.040 -1.980 -10.226 1.00 0.00 O ATOM 1992 CB SER A 131 4.787 -1.108 -11.964 1.00 0.00 C ATOM 1993 OG SER A 131 5.707 -0.040 -12.044 1.00 0.00 O ATOM 1994 OXT SER A 131 3.495 -3.558 -10.658 1.00 0.00 O ATOM 0 H SER A 131 6.342 -1.510 -10.133 1.00 0.00 H new ATOM 0 HA SER A 131 3.910 -0.361 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.252 -2.024 -12.328 1.00 0.00 H new ATOM 0 HB3 SER A 131 3.931 -0.907 -12.608 1.00 0.00 H new ATOM 0 HG SER A 131 6.604 -0.363 -11.816 1.00 0.00 H new TER 2000 SER A 131