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 78 SER OG : rot -115:sc= 0.147 USER MOD Set 1.2: A 80 CYS SG : rot -160:sc= 0.0672 USER MOD Set 2.1: A 5 MET CE :methyl 171:sc= -0.659 (180deg=-1.09) USER MOD Set 2.2: A 35 CYS SG : rot -89:sc= 0.414 USER MOD Set 2.3: A 73 TYR OH : rot -176:sc=0.000472 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.979 K(o=2.1,f=-4!) USER MOD Set 3.2: A 15 SER OG : rot -55:sc= 0.567 USER MOD Set 3.3: A 34 SER OG : rot -170:sc= 0.521 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 1.24 (180deg=0.533) USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.1) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.24) USER MOD Single : A 8 CYS SG : rot 178:sc= 0.426 USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.2) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 13 CYS SG : rot 139:sc= 0.523 USER MOD Single : A 16 GLN : amide:sc= 0.896 K(o=0.9,f=-2.6!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0.691 (180deg=0.666) USER MOD Single : A 24 THR OG1 : rot 91:sc= 0.981 USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 1.03 (180deg=0.821) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -130:sc= 0.19 USER MOD Single : A 43 HIS : no HD1:sc= 0.933 K(o=0.93,f=-4.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 177:sc= -0.271 (180deg=-0.282) USER MOD Single : A 50 MET CE :methyl -139:sc= -0.364 (180deg=-3.15) USER MOD Single : A 58 SER OG : rot -55:sc= 1.16 USER MOD Single : A 60 GLN : amide:sc= 0.561 K(o=0.56,f=-3.7) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -70:sc= 0.207 USER MOD Single : A 67 ASN : amide:sc= 0.984 K(o=0.98,f=-0.12) USER MOD Single : A 69 ASN : amide:sc= 0.574 K(o=0.57,f=-0.083) USER MOD Single : A 82 CYS SG : rot 180:sc= 0.345 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -38:sc= 0.246 USER MOD Single : A 93 GLN : amide:sc= 1.05 K(o=1,f=-0.15) USER MOD Single : A 100 GLN : amide:sc= 1.24 K(o=1.2,f=-0.43) USER MOD Single : A 107 GLN : amide:sc= 0.418 K(o=0.42,f=-0.88) USER MOD Single : A 108 SER OG : rot 180:sc= 0.051 USER MOD Single : A 114 THR OG1 : rot 75:sc= 1.03 USER MOD Single : A 118 GLN : amide:sc= 1.48 K(o=1.5,f=-0.32) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.01 K(o=1,f=-0.0018) USER MOD Single : A 129 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.17) USER MOD Single : A 131 SER OG : rot 36:sc= 0.127 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.067 -0.149 1.493 1.00 0.00 N ATOM 2 CA MET A 1 2.539 0.126 0.106 1.00 0.00 C ATOM 3 C MET A 1 2.552 1.629 -0.197 1.00 0.00 C ATOM 4 O MET A 1 1.516 2.282 -0.097 1.00 0.00 O ATOM 5 CB MET A 1 1.731 -0.659 -0.962 1.00 0.00 C ATOM 6 CG MET A 1 2.201 -0.360 -2.399 1.00 0.00 C ATOM 7 SD MET A 1 1.484 -1.389 -3.711 1.00 0.00 S ATOM 8 CE MET A 1 2.420 -2.924 -3.481 1.00 0.00 C ATOM 0 H1 MET A 1 1.507 -1.025 1.502 1.00 0.00 H new ATOM 0 H2 MET A 1 2.887 -0.256 2.124 1.00 0.00 H new ATOM 0 H3 MET A 1 1.478 0.642 1.822 1.00 0.00 H new ATOM 0 HA MET A 1 3.566 -0.234 0.050 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.823 -1.728 -0.769 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.674 -0.408 -0.870 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.977 0.683 -2.622 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.285 -0.468 -2.434 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.095 -3.662 -4.215 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.484 -2.725 -3.613 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.245 -3.310 -2.477 1.00 0.00 H new ATOM 18 N LYS A 2 3.709 2.160 -0.623 1.00 0.00 N ATOM 19 CA LYS A 2 3.898 3.523 -1.175 1.00 0.00 C ATOM 20 C LYS A 2 4.657 3.458 -2.510 1.00 0.00 C ATOM 21 O LYS A 2 5.254 2.428 -2.826 1.00 0.00 O ATOM 22 CB LYS A 2 4.598 4.426 -0.133 1.00 0.00 C ATOM 23 CG LYS A 2 3.698 4.671 1.091 1.00 0.00 C ATOM 24 CD LYS A 2 4.339 5.602 2.130 1.00 0.00 C ATOM 25 CE LYS A 2 3.360 5.820 3.294 1.00 0.00 C ATOM 26 NZ LYS A 2 3.936 6.704 4.344 1.00 0.00 N ATOM 0 H LYS A 2 4.581 1.632 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 2 2.927 3.971 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.531 3.961 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.858 5.380 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.753 5.101 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.466 3.716 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.268 5.168 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.593 6.557 1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.437 6.260 2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.098 4.858 3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.178 7.032 4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.641 6.174 4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.392 7.524 3.896 1.00 0.00 H new ATOM 40 N LYS A 3 4.614 4.527 -3.311 1.00 0.00 N ATOM 41 CA LYS A 3 5.214 4.584 -4.660 1.00 0.00 C ATOM 42 C LYS A 3 6.475 5.447 -4.677 1.00 0.00 C ATOM 43 O LYS A 3 6.519 6.509 -4.056 1.00 0.00 O ATOM 44 CB LYS A 3 4.193 5.036 -5.729 1.00 0.00 C ATOM 45 CG LYS A 3 3.006 4.057 -5.886 1.00 0.00 C ATOM 46 CD LYS A 3 1.816 4.266 -4.933 1.00 0.00 C ATOM 47 CE LYS A 3 1.161 5.625 -5.193 1.00 0.00 C ATOM 48 NZ LYS A 3 0.503 6.183 -3.984 1.00 0.00 N ATOM 0 H LYS A 3 4.154 5.396 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 3 5.513 3.569 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.811 6.022 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.701 5.138 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.640 4.126 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.380 3.042 -5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.085 3.470 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.155 4.210 -3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.916 6.326 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.423 5.522 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.047 7.087 -4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.214 5.514 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.215 6.340 -3.242 1.00 0.00 H new ATOM 62 N VAL A 4 7.483 4.997 -5.422 1.00 0.00 N ATOM 63 CA VAL A 4 8.773 5.702 -5.594 1.00 0.00 C ATOM 64 C VAL A 4 9.008 6.007 -7.076 1.00 0.00 C ATOM 65 O VAL A 4 8.705 5.186 -7.940 1.00 0.00 O ATOM 66 CB VAL A 4 9.963 4.944 -4.962 1.00 0.00 C ATOM 67 CG1 VAL A 4 11.230 5.807 -4.937 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.673 4.472 -3.530 1.00 0.00 C ATOM 0 H VAL A 4 7.435 4.117 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 4 8.710 6.644 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 4 10.118 4.070 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.046 5.242 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.501 6.085 -5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.045 6.708 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.543 3.946 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.455 5.334 -2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.815 3.800 -3.535 1.00 0.00 H new ATOM 78 N MET A 5 9.564 7.177 -7.379 1.00 0.00 N ATOM 79 CA MET A 5 9.897 7.592 -8.741 1.00 0.00 C ATOM 80 C MET A 5 11.303 8.176 -8.781 1.00 0.00 C ATOM 81 O MET A 5 11.683 8.964 -7.916 1.00 0.00 O ATOM 82 CB MET A 5 8.830 8.566 -9.263 1.00 0.00 C ATOM 83 CG MET A 5 9.215 9.303 -10.552 1.00 0.00 C ATOM 84 SD MET A 5 9.654 8.292 -11.989 1.00 0.00 S ATOM 85 CE MET A 5 8.315 8.741 -13.122 1.00 0.00 C ATOM 0 H MET A 5 9.800 7.876 -6.674 1.00 0.00 H new ATOM 0 HA MET A 5 9.896 6.729 -9.406 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.907 8.014 -9.438 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.619 9.303 -8.488 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.381 9.946 -10.834 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.059 9.955 -10.328 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.522 8.330 -14.110 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.373 8.337 -12.751 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.243 9.827 -13.188 1.00 0.00 H new ATOM 95 N PHE A 6 12.063 7.791 -9.799 1.00 0.00 N ATOM 96 CA PHE A 6 13.469 8.168 -9.976 1.00 0.00 C ATOM 97 C PHE A 6 13.645 9.171 -11.129 1.00 0.00 C ATOM 98 O PHE A 6 13.069 8.980 -12.196 1.00 0.00 O ATOM 99 CB PHE A 6 14.299 6.886 -10.164 1.00 0.00 C ATOM 100 CG PHE A 6 14.048 5.820 -9.109 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.627 5.920 -7.829 1.00 0.00 C ATOM 102 CD2 PHE A 6 13.192 4.742 -9.398 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.304 4.987 -6.826 1.00 0.00 C ATOM 104 CE2 PHE A 6 12.869 3.809 -8.397 1.00 0.00 C ATOM 105 CZ PHE A 6 13.406 3.942 -7.104 1.00 0.00 C ATOM 0 H PHE A 6 11.714 7.192 -10.547 1.00 0.00 H new ATOM 0 HA PHE A 6 13.830 8.686 -9.088 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.082 6.467 -11.147 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.357 7.147 -10.156 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.323 6.718 -7.616 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.782 4.631 -10.391 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.745 5.074 -5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.206 2.987 -8.622 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.129 3.244 -6.328 1.00 0.00 H new ATOM 115 N VAL A 7 14.469 10.208 -10.938 1.00 0.00 N ATOM 116 CA VAL A 7 14.844 11.231 -11.939 1.00 0.00 C ATOM 117 C VAL A 7 16.356 11.207 -12.205 1.00 0.00 C ATOM 118 O VAL A 7 17.146 11.213 -11.267 1.00 0.00 O ATOM 119 CB VAL A 7 14.319 12.637 -11.527 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.170 13.809 -12.039 1.00 0.00 C ATOM 121 CG2 VAL A 7 12.916 12.837 -12.107 1.00 0.00 C ATOM 0 H VAL A 7 14.919 10.371 -10.037 1.00 0.00 H new ATOM 0 HA VAL A 7 14.359 10.989 -12.885 1.00 0.00 H new ATOM 0 HB VAL A 7 14.347 12.648 -10.437 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.732 14.750 -11.706 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.183 13.722 -11.647 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.200 13.788 -13.128 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.541 13.820 -11.822 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.958 12.765 -13.194 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.249 12.068 -11.718 1.00 0.00 H new ATOM 131 N CYS A 8 16.771 11.236 -13.476 1.00 0.00 N ATOM 132 CA CYS A 8 18.181 11.338 -13.909 1.00 0.00 C ATOM 133 C CYS A 8 18.344 12.317 -15.102 1.00 0.00 C ATOM 134 O CYS A 8 17.349 12.847 -15.592 1.00 0.00 O ATOM 135 CB CYS A 8 18.626 9.887 -14.193 1.00 0.00 C ATOM 136 SG CYS A 8 20.402 9.725 -14.555 1.00 0.00 S ATOM 0 H CYS A 8 16.120 11.188 -14.260 1.00 0.00 H new ATOM 0 HA CYS A 8 18.828 11.774 -13.148 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.382 9.266 -13.331 1.00 0.00 H new ATOM 0 HB3 CYS A 8 18.055 9.500 -15.037 1.00 0.00 H new ATOM 0 HG CYS A 8 20.696 8.471 -14.733 1.00 0.00 H new ATOM 142 N LYS A 9 19.579 12.540 -15.588 1.00 0.00 N ATOM 143 CA LYS A 9 19.941 13.489 -16.680 1.00 0.00 C ATOM 144 C LYS A 9 19.128 13.288 -17.967 1.00 0.00 C ATOM 145 O LYS A 9 18.448 14.204 -18.410 1.00 0.00 O ATOM 146 CB LYS A 9 21.465 13.423 -16.942 1.00 0.00 C ATOM 147 CG LYS A 9 22.268 14.129 -15.830 1.00 0.00 C ATOM 148 CD LYS A 9 23.779 13.835 -15.875 1.00 0.00 C ATOM 149 CE LYS A 9 24.441 14.230 -17.205 1.00 0.00 C ATOM 150 NZ LYS A 9 25.922 14.035 -17.165 1.00 0.00 N ATOM 0 H LYS A 9 20.393 12.047 -15.221 1.00 0.00 H new ATOM 0 HA LYS A 9 19.678 14.491 -16.340 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.777 12.381 -17.010 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.689 13.887 -17.903 1.00 0.00 H new ATOM 0 HG2 LYS A 9 22.114 15.205 -15.910 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.876 13.822 -14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.269 14.369 -15.061 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.940 12.771 -15.700 1.00 0.00 H new ATOM 0 HE2 LYS A 9 24.017 13.634 -18.013 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.217 15.273 -17.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.331 14.296 -18.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.331 14.636 -16.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.135 13.038 -16.961 1.00 0.00 H new ATOM 164 N ARG A 10 19.171 12.071 -18.524 1.00 0.00 N ATOM 165 CA ARG A 10 18.484 11.672 -19.785 1.00 0.00 C ATOM 166 C ARG A 10 17.727 10.337 -19.704 1.00 0.00 C ATOM 167 O ARG A 10 17.407 9.718 -20.712 1.00 0.00 O ATOM 168 CB ARG A 10 19.505 11.749 -20.936 1.00 0.00 C ATOM 169 CG ARG A 10 20.588 10.662 -20.825 1.00 0.00 C ATOM 170 CD ARG A 10 21.869 11.046 -21.559 1.00 0.00 C ATOM 171 NE ARG A 10 21.678 11.017 -23.027 1.00 0.00 N ATOM 172 CZ ARG A 10 21.980 11.950 -23.914 1.00 0.00 C ATOM 173 NH1 ARG A 10 22.531 13.084 -23.587 1.00 0.00 N ATOM 174 NH2 ARG A 10 21.723 11.746 -25.174 1.00 0.00 N ATOM 0 H ARG A 10 19.698 11.304 -18.106 1.00 0.00 H new ATOM 0 HA ARG A 10 17.676 12.377 -19.979 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.985 11.646 -21.888 1.00 0.00 H new ATOM 0 HB3 ARG A 10 19.977 12.731 -20.936 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.814 10.483 -19.774 1.00 0.00 H new ATOM 0 HG3 ARG A 10 20.204 9.727 -21.233 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.182 12.043 -21.251 1.00 0.00 H new ATOM 0 HD3 ARG A 10 22.669 10.360 -21.281 1.00 0.00 H new ATOM 0 HE ARG A 10 21.259 10.167 -23.403 1.00 0.00 H new ATOM 0 HH11 ARG A 10 22.748 13.283 -22.610 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.746 13.773 -24.308 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.291 10.871 -25.471 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.953 12.461 -25.864 1.00 0.00 H new ATOM 188 N ASN A 11 17.527 9.862 -18.470 1.00 0.00 N ATOM 189 CA ASN A 11 16.941 8.566 -18.094 1.00 0.00 C ATOM 190 C ASN A 11 17.578 7.345 -18.789 1.00 0.00 C ATOM 191 O ASN A 11 16.903 6.384 -19.151 1.00 0.00 O ATOM 192 CB ASN A 11 15.415 8.726 -18.174 1.00 0.00 C ATOM 193 CG ASN A 11 14.598 7.577 -17.619 1.00 0.00 C ATOM 194 OD1 ASN A 11 13.635 7.154 -18.230 1.00 0.00 O ATOM 195 ND2 ASN A 11 14.893 7.083 -16.439 1.00 0.00 N ATOM 0 H ASN A 11 17.787 10.409 -17.649 1.00 0.00 H new ATOM 0 HA ASN A 11 17.188 8.303 -17.065 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.136 9.635 -17.641 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.139 8.871 -19.218 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.315 6.346 -16.036 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.700 7.437 -15.925 1.00 0.00 H new ATOM 202 N SER A 12 18.906 7.392 -18.943 1.00 0.00 N ATOM 203 CA SER A 12 19.730 6.326 -19.532 1.00 0.00 C ATOM 204 C SER A 12 20.266 5.340 -18.497 1.00 0.00 C ATOM 205 O SER A 12 20.237 4.136 -18.731 1.00 0.00 O ATOM 206 CB SER A 12 20.884 6.964 -20.308 1.00 0.00 C ATOM 207 OG SER A 12 21.520 7.888 -19.441 1.00 0.00 O ATOM 0 H SER A 12 19.457 8.200 -18.652 1.00 0.00 H new ATOM 0 HA SER A 12 19.093 5.746 -20.200 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.589 6.203 -20.641 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.514 7.468 -21.201 1.00 0.00 H new ATOM 0 HG SER A 12 22.268 8.314 -19.909 1.00 0.00 H new ATOM 213 N CYS A 13 20.748 5.843 -17.358 1.00 0.00 N ATOM 214 CA CYS A 13 21.388 5.078 -16.282 1.00 0.00 C ATOM 215 C CYS A 13 20.936 5.594 -14.902 1.00 0.00 C ATOM 216 O CYS A 13 20.075 6.467 -14.812 1.00 0.00 O ATOM 217 CB CYS A 13 22.911 5.153 -16.530 1.00 0.00 C ATOM 218 SG CYS A 13 23.794 3.844 -15.618 1.00 0.00 S ATOM 0 H CYS A 13 20.701 6.840 -17.150 1.00 0.00 H new ATOM 0 HA CYS A 13 21.091 4.029 -16.284 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.113 5.056 -17.597 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.284 6.130 -16.222 1.00 0.00 H new ATOM 0 HG CYS A 13 24.725 3.341 -16.373 1.00 0.00 H new ATOM 224 N ARG A 14 21.496 5.059 -13.809 1.00 0.00 N ATOM 225 CA ARG A 14 21.109 5.306 -12.392 1.00 0.00 C ATOM 226 C ARG A 14 19.637 4.968 -12.105 1.00 0.00 C ATOM 227 O ARG A 14 19.327 3.873 -11.662 1.00 0.00 O ATOM 228 CB ARG A 14 21.542 6.727 -11.935 1.00 0.00 C ATOM 229 CG ARG A 14 23.010 7.118 -12.198 1.00 0.00 C ATOM 230 CD ARG A 14 23.186 8.594 -11.807 1.00 0.00 C ATOM 231 NE ARG A 14 24.523 9.134 -12.142 1.00 0.00 N ATOM 232 CZ ARG A 14 24.798 10.383 -12.494 1.00 0.00 C ATOM 233 NH1 ARG A 14 23.881 11.295 -12.622 1.00 0.00 N ATOM 234 NH2 ARG A 14 26.023 10.745 -12.706 1.00 0.00 N ATOM 0 H ARG A 14 22.275 4.405 -13.881 1.00 0.00 H new ATOM 0 HA ARG A 14 21.664 4.605 -11.768 1.00 0.00 H new ATOM 0 HB2 ARG A 14 20.901 7.455 -12.432 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.353 6.814 -10.865 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.682 6.487 -11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.262 6.969 -13.248 1.00 0.00 H new ATOM 0 HD2 ARG A 14 22.425 9.189 -12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.017 8.701 -10.736 1.00 0.00 H new ATOM 0 HE ARG A 14 25.308 8.484 -12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.903 11.063 -12.449 1.00 0.00 H new ATOM 0 HH12 ARG A 14 24.139 12.243 -12.895 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.780 10.069 -12.602 1.00 0.00 H new ATOM 0 HH22 ARG A 14 26.231 11.706 -12.977 1.00 0.00 H new ATOM 248 N SER A 15 18.724 5.875 -12.459 1.00 0.00 N ATOM 249 CA SER A 15 17.246 5.754 -12.352 1.00 0.00 C ATOM 250 C SER A 15 16.693 4.417 -12.860 1.00 0.00 C ATOM 251 O SER A 15 15.926 3.745 -12.184 1.00 0.00 O ATOM 252 CB SER A 15 16.613 6.916 -13.142 1.00 0.00 C ATOM 253 OG SER A 15 17.056 6.893 -14.504 1.00 0.00 O ATOM 0 H SER A 15 19.001 6.774 -12.854 1.00 0.00 H new ATOM 0 HA SER A 15 16.989 5.796 -11.294 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.526 6.840 -13.105 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.882 7.867 -12.681 1.00 0.00 H new ATOM 0 HG SER A 15 18.036 6.900 -14.530 1.00 0.00 H new ATOM 259 N GLN A 16 17.156 3.980 -14.032 1.00 0.00 N ATOM 260 CA GLN A 16 16.739 2.725 -14.681 1.00 0.00 C ATOM 261 C GLN A 16 17.179 1.481 -13.877 1.00 0.00 C ATOM 262 O GLN A 16 16.398 0.540 -13.724 1.00 0.00 O ATOM 263 CB GLN A 16 17.314 2.743 -16.115 1.00 0.00 C ATOM 264 CG GLN A 16 16.771 3.862 -17.036 1.00 0.00 C ATOM 265 CD GLN A 16 15.309 3.716 -17.483 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.477 3.072 -16.865 1.00 0.00 O ATOM 267 NE2 GLN A 16 14.939 4.358 -18.567 1.00 0.00 N ATOM 0 H GLN A 16 17.848 4.498 -14.574 1.00 0.00 H new ATOM 0 HA GLN A 16 15.652 2.657 -14.719 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.398 2.842 -16.052 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.109 1.780 -16.582 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.878 4.815 -16.518 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.399 3.910 -17.926 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.621 4.901 -19.096 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.969 4.313 -18.880 1.00 0.00 H new ATOM 276 N MET A 17 18.371 1.518 -13.254 1.00 0.00 N ATOM 277 CA MET A 17 18.829 0.492 -12.291 1.00 0.00 C ATOM 278 C MET A 17 18.021 0.534 -10.987 1.00 0.00 C ATOM 279 O MET A 17 17.743 -0.510 -10.407 1.00 0.00 O ATOM 280 CB MET A 17 20.318 0.677 -11.937 1.00 0.00 C ATOM 281 CG MET A 17 21.323 0.485 -13.073 1.00 0.00 C ATOM 282 SD MET A 17 23.012 0.739 -12.468 1.00 0.00 S ATOM 283 CE MET A 17 23.952 0.118 -13.881 1.00 0.00 C ATOM 0 H MET A 17 19.050 2.264 -13.404 1.00 0.00 H new ATOM 0 HA MET A 17 18.680 -0.470 -12.781 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.449 1.681 -11.533 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.568 -0.023 -11.140 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.225 -0.518 -13.488 1.00 0.00 H new ATOM 0 HG3 MET A 17 21.109 1.186 -13.879 1.00 0.00 H new ATOM 0 HE1 MET A 17 25.019 0.202 -13.674 1.00 0.00 H new ATOM 0 HE2 MET A 17 23.698 -0.927 -14.056 1.00 0.00 H new ATOM 0 HE3 MET A 17 23.707 0.704 -14.767 1.00 0.00 H new ATOM 293 N ALA A 18 17.614 1.724 -10.532 1.00 0.00 N ATOM 294 CA ALA A 18 16.849 1.900 -9.291 1.00 0.00 C ATOM 295 C ALA A 18 15.472 1.233 -9.378 1.00 0.00 C ATOM 296 O ALA A 18 15.077 0.521 -8.458 1.00 0.00 O ATOM 297 CB ALA A 18 16.766 3.397 -8.969 1.00 0.00 C ATOM 0 H ALA A 18 17.807 2.600 -11.018 1.00 0.00 H new ATOM 0 HA ALA A 18 17.362 1.400 -8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.200 3.540 -8.049 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.772 3.798 -8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.268 3.918 -9.787 1.00 0.00 H new ATOM 303 N GLU A 19 14.800 1.345 -10.527 1.00 0.00 N ATOM 304 CA GLU A 19 13.581 0.575 -10.812 1.00 0.00 C ATOM 305 C GLU A 19 13.872 -0.928 -10.861 1.00 0.00 C ATOM 306 O GLU A 19 13.116 -1.699 -10.287 1.00 0.00 O ATOM 307 CB GLU A 19 12.948 1.096 -12.110 1.00 0.00 C ATOM 308 CG GLU A 19 11.540 0.541 -12.354 1.00 0.00 C ATOM 309 CD GLU A 19 11.089 0.832 -13.796 1.00 0.00 C ATOM 310 OE1 GLU A 19 10.520 1.921 -14.050 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.320 -0.034 -14.675 1.00 0.00 O ATOM 0 H GLU A 19 15.082 1.968 -11.284 1.00 0.00 H new ATOM 0 HA GLU A 19 12.863 0.715 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.902 2.184 -12.074 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.588 0.831 -12.952 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.530 -0.534 -12.173 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.839 0.989 -11.650 1.00 0.00 H new ATOM 318 N GLY A 20 15.002 -1.345 -11.440 1.00 0.00 N ATOM 319 CA GLY A 20 15.453 -2.743 -11.447 1.00 0.00 C ATOM 320 C GLY A 20 15.592 -3.360 -10.056 1.00 0.00 C ATOM 321 O GLY A 20 15.023 -4.418 -9.794 1.00 0.00 O ATOM 0 H GLY A 20 15.639 -0.713 -11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.748 -3.338 -12.028 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.415 -2.801 -11.956 1.00 0.00 H new ATOM 325 N PHE A 21 16.279 -2.691 -9.130 1.00 0.00 N ATOM 326 CA PHE A 21 16.392 -3.185 -7.752 1.00 0.00 C ATOM 327 C PHE A 21 15.077 -3.075 -6.994 1.00 0.00 C ATOM 328 O PHE A 21 14.652 -4.041 -6.373 1.00 0.00 O ATOM 329 CB PHE A 21 17.530 -2.459 -7.024 1.00 0.00 C ATOM 330 CG PHE A 21 18.885 -2.912 -7.507 1.00 0.00 C ATOM 331 CD1 PHE A 21 19.275 -4.249 -7.307 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.735 -2.025 -8.183 1.00 0.00 C ATOM 333 CE1 PHE A 21 20.518 -4.697 -7.772 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.979 -2.476 -8.650 1.00 0.00 C ATOM 335 CZ PHE A 21 21.371 -3.814 -8.449 1.00 0.00 C ATOM 0 H PHE A 21 16.764 -1.811 -9.304 1.00 0.00 H new ATOM 0 HA PHE A 21 16.632 -4.248 -7.793 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.431 -1.384 -7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.448 -2.638 -5.952 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.614 -4.932 -6.794 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.434 -1.000 -8.343 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.819 -5.721 -7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.639 -1.794 -9.166 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.327 -4.159 -8.816 1.00 0.00 H new ATOM 345 N ALA A 22 14.386 -1.943 -7.090 1.00 0.00 N ATOM 346 CA ALA A 22 13.143 -1.732 -6.346 1.00 0.00 C ATOM 347 C ALA A 22 12.015 -2.683 -6.779 1.00 0.00 C ATOM 348 O ALA A 22 11.344 -3.241 -5.918 1.00 0.00 O ATOM 349 CB ALA A 22 12.762 -0.255 -6.475 1.00 0.00 C ATOM 0 H ALA A 22 14.664 -1.155 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 22 13.303 -1.975 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.837 -0.069 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.558 0.364 -6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.619 -0.007 -7.527 1.00 0.00 H new ATOM 355 N LYS A 23 11.858 -2.972 -8.078 1.00 0.00 N ATOM 356 CA LYS A 23 10.808 -3.895 -8.568 1.00 0.00 C ATOM 357 C LYS A 23 11.034 -5.350 -8.142 1.00 0.00 C ATOM 358 O LYS A 23 10.089 -6.121 -8.021 1.00 0.00 O ATOM 359 CB LYS A 23 10.648 -3.741 -10.090 1.00 0.00 C ATOM 360 CG LYS A 23 11.701 -4.465 -10.951 1.00 0.00 C ATOM 361 CD LYS A 23 11.667 -3.951 -12.401 1.00 0.00 C ATOM 362 CE LYS A 23 12.571 -4.748 -13.361 1.00 0.00 C ATOM 363 NZ LYS A 23 11.998 -6.069 -13.764 1.00 0.00 N ATOM 0 H LYS A 23 12.444 -2.582 -8.816 1.00 0.00 H new ATOM 0 HA LYS A 23 9.869 -3.613 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.661 -4.108 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.675 -2.679 -10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.693 -4.309 -10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.514 -5.539 -10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.641 -3.989 -12.767 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.972 -2.905 -12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.752 -4.152 -14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.538 -4.911 -12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.606 -6.506 -14.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.945 -6.692 -12.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.044 -5.929 -14.154 1.00 0.00 H new ATOM 377 N THR A 24 12.296 -5.690 -7.888 1.00 0.00 N ATOM 378 CA THR A 24 12.748 -7.015 -7.412 1.00 0.00 C ATOM 379 C THR A 24 12.703 -7.140 -5.880 1.00 0.00 C ATOM 380 O THR A 24 12.078 -8.054 -5.350 1.00 0.00 O ATOM 381 CB THR A 24 14.168 -7.308 -7.926 1.00 0.00 C ATOM 382 OG1 THR A 24 14.239 -7.101 -9.320 1.00 0.00 O ATOM 383 CG2 THR A 24 14.606 -8.751 -7.675 1.00 0.00 C ATOM 0 H THR A 24 13.067 -5.033 -8.009 1.00 0.00 H new ATOM 0 HA THR A 24 12.053 -7.752 -7.814 1.00 0.00 H new ATOM 0 HB THR A 24 14.823 -6.630 -7.379 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.508 -6.176 -9.500 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.616 -8.897 -8.059 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.592 -8.954 -6.604 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.923 -9.432 -8.182 1.00 0.00 H new ATOM 391 N LEU A 25 13.351 -6.213 -5.158 1.00 0.00 N ATOM 392 CA LEU A 25 13.551 -6.260 -3.693 1.00 0.00 C ATOM 393 C LEU A 25 12.344 -5.709 -2.921 1.00 0.00 C ATOM 394 O LEU A 25 12.061 -6.126 -1.798 1.00 0.00 O ATOM 395 CB LEU A 25 14.849 -5.489 -3.335 1.00 0.00 C ATOM 396 CG LEU A 25 16.111 -5.977 -4.076 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.285 -5.089 -3.688 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.466 -7.425 -3.741 1.00 0.00 C ATOM 0 H LEU A 25 13.764 -5.384 -5.585 1.00 0.00 H new ATOM 0 HA LEU A 25 13.651 -7.303 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.700 -4.432 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.020 -5.570 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 25 15.903 -5.923 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.183 -5.426 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.069 -4.058 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.445 -5.147 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.362 -7.716 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.651 -7.516 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.639 -8.077 -4.023 1.00 0.00 H new ATOM 410 N GLY A 26 11.615 -4.777 -3.536 1.00 0.00 N ATOM 411 CA GLY A 26 10.388 -4.163 -3.031 1.00 0.00 C ATOM 412 C GLY A 26 9.101 -4.802 -3.549 1.00 0.00 C ATOM 413 O GLY A 26 8.033 -4.271 -3.260 1.00 0.00 O ATOM 0 H GLY A 26 11.880 -4.411 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.392 -4.215 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.388 -3.107 -3.300 1.00 0.00 H new ATOM 417 N ALA A 27 9.165 -5.916 -4.287 1.00 0.00 N ATOM 418 CA ALA A 27 7.991 -6.610 -4.836 1.00 0.00 C ATOM 419 C ALA A 27 6.908 -6.877 -3.761 1.00 0.00 C ATOM 420 O ALA A 27 7.130 -7.633 -2.813 1.00 0.00 O ATOM 421 CB ALA A 27 8.458 -7.925 -5.478 1.00 0.00 C ATOM 0 H ALA A 27 10.047 -6.369 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 27 7.526 -5.969 -5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.599 -8.454 -5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.168 -7.708 -6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.939 -8.548 -4.723 1.00 0.00 H new ATOM 427 N GLY A 28 5.744 -6.224 -3.895 1.00 0.00 N ATOM 428 CA GLY A 28 4.608 -6.340 -2.964 1.00 0.00 C ATOM 429 C GLY A 28 4.658 -5.364 -1.780 1.00 0.00 C ATOM 430 O GLY A 28 3.632 -5.125 -1.140 1.00 0.00 O ATOM 0 H GLY A 28 5.561 -5.586 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.683 -6.176 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.572 -7.359 -2.578 1.00 0.00 H new ATOM 434 N LYS A 29 5.821 -4.743 -1.525 1.00 0.00 N ATOM 435 CA LYS A 29 5.993 -3.625 -0.578 1.00 0.00 C ATOM 436 C LYS A 29 5.756 -2.281 -1.261 1.00 0.00 C ATOM 437 O LYS A 29 5.173 -1.389 -0.658 1.00 0.00 O ATOM 438 CB LYS A 29 7.391 -3.688 0.075 1.00 0.00 C ATOM 439 CG LYS A 29 7.539 -4.917 0.988 1.00 0.00 C ATOM 440 CD LYS A 29 8.736 -5.815 0.638 1.00 0.00 C ATOM 441 CE LYS A 29 10.067 -5.265 1.179 1.00 0.00 C ATOM 442 NZ LYS A 29 11.195 -6.220 0.945 1.00 0.00 N ATOM 0 H LYS A 29 6.692 -5.011 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 29 5.245 -3.722 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.154 -3.718 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.563 -2.781 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.640 -4.580 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.626 -5.509 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.568 -6.813 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.803 -5.918 -0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.290 -4.313 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.972 -5.068 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.997 -5.967 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.883 -7.187 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.491 -6.171 -0.051 1.00 0.00 H new ATOM 456 N ILE A 30 6.193 -2.125 -2.513 1.00 0.00 N ATOM 457 CA ILE A 30 6.135 -0.857 -3.261 1.00 0.00 C ATOM 458 C ILE A 30 5.781 -1.038 -4.745 1.00 0.00 C ATOM 459 O ILE A 30 5.699 -2.158 -5.251 1.00 0.00 O ATOM 460 CB ILE A 30 7.461 -0.063 -3.078 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.766 -0.735 -3.549 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.704 0.287 -1.603 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.836 -1.169 -5.014 1.00 0.00 C ATOM 0 H ILE A 30 6.606 -2.888 -3.049 1.00 0.00 H new ATOM 0 HA ILE A 30 5.315 -0.276 -2.838 1.00 0.00 H new ATOM 0 HB ILE A 30 7.278 0.797 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.589 -0.045 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.938 -1.614 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.638 0.841 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.881 0.899 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.766 -0.630 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.805 -1.626 -5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.046 -1.891 -5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.707 -0.299 -5.658 1.00 0.00 H new ATOM 475 N ALA A 31 5.595 0.089 -5.441 1.00 0.00 N ATOM 476 CA ALA A 31 5.492 0.178 -6.902 1.00 0.00 C ATOM 477 C ALA A 31 6.407 1.321 -7.388 1.00 0.00 C ATOM 478 O ALA A 31 6.588 2.312 -6.677 1.00 0.00 O ATOM 479 CB ALA A 31 4.027 0.320 -7.328 1.00 0.00 C ATOM 0 H ALA A 31 5.509 0.998 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 31 5.839 -0.738 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.969 0.385 -8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.463 -0.547 -6.985 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.606 1.224 -6.888 1.00 0.00 H new ATOM 485 N VAL A 32 7.034 1.179 -8.561 1.00 0.00 N ATOM 486 CA VAL A 32 8.097 2.075 -9.033 1.00 0.00 C ATOM 487 C VAL A 32 8.015 2.447 -10.510 1.00 0.00 C ATOM 488 O VAL A 32 7.569 1.661 -11.348 1.00 0.00 O ATOM 489 CB VAL A 32 9.473 1.450 -8.756 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.945 1.901 -7.377 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.554 -0.080 -8.875 1.00 0.00 C ATOM 0 H VAL A 32 6.815 0.430 -9.218 1.00 0.00 H new ATOM 0 HA VAL A 32 7.956 3.000 -8.475 1.00 0.00 H new ATOM 0 HB VAL A 32 10.128 1.810 -9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.921 1.465 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.021 2.988 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.230 1.573 -6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.570 -0.408 -8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.866 -0.537 -8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.283 -0.381 -9.887 1.00 0.00 H new ATOM 501 N THR A 33 8.542 3.639 -10.806 1.00 0.00 N ATOM 502 CA THR A 33 8.679 4.207 -12.154 1.00 0.00 C ATOM 503 C THR A 33 10.043 4.901 -12.279 1.00 0.00 C ATOM 504 O THR A 33 10.564 5.421 -11.289 1.00 0.00 O ATOM 505 CB THR A 33 7.536 5.205 -12.440 1.00 0.00 C ATOM 506 OG1 THR A 33 6.282 4.664 -12.062 1.00 0.00 O ATOM 507 CG2 THR A 33 7.404 5.562 -13.924 1.00 0.00 C ATOM 0 H THR A 33 8.901 4.263 -10.083 1.00 0.00 H new ATOM 0 HA THR A 33 8.617 3.404 -12.888 1.00 0.00 H new ATOM 0 HB THR A 33 7.794 6.093 -11.863 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.574 5.315 -12.251 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.583 6.267 -14.057 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.332 6.015 -14.273 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.203 4.658 -14.499 1.00 0.00 H new ATOM 515 N SER A 34 10.640 4.931 -13.470 1.00 0.00 N ATOM 516 CA SER A 34 11.877 5.654 -13.778 1.00 0.00 C ATOM 517 C SER A 34 11.664 6.719 -14.869 1.00 0.00 C ATOM 518 O SER A 34 10.969 6.477 -15.857 1.00 0.00 O ATOM 519 CB SER A 34 12.918 4.632 -14.214 1.00 0.00 C ATOM 520 OG SER A 34 14.139 5.300 -14.433 1.00 0.00 O ATOM 0 H SER A 34 10.263 4.435 -14.278 1.00 0.00 H new ATOM 0 HA SER A 34 12.215 6.189 -12.890 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.038 3.865 -13.449 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.594 4.127 -15.124 1.00 0.00 H new ATOM 0 HG SER A 34 14.773 4.689 -14.863 1.00 0.00 H new ATOM 526 N CYS A 35 12.268 7.902 -14.693 1.00 0.00 N ATOM 527 CA CYS A 35 12.224 9.025 -15.635 1.00 0.00 C ATOM 528 C CYS A 35 13.473 9.924 -15.542 1.00 0.00 C ATOM 529 O CYS A 35 14.433 9.645 -14.821 1.00 0.00 O ATOM 530 CB CYS A 35 10.916 9.806 -15.422 1.00 0.00 C ATOM 531 SG CYS A 35 10.976 10.847 -13.946 1.00 0.00 S ATOM 0 H CYS A 35 12.820 8.109 -13.861 1.00 0.00 H new ATOM 0 HA CYS A 35 12.236 8.632 -16.652 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.720 10.428 -16.295 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.086 9.105 -15.337 1.00 0.00 H new ATOM 0 HG CYS A 35 10.562 10.167 -12.918 1.00 0.00 H new ATOM 537 N GLY A 36 13.500 11.015 -16.305 1.00 0.00 N ATOM 538 CA GLY A 36 14.521 12.066 -16.206 1.00 0.00 C ATOM 539 C GLY A 36 13.973 13.413 -16.632 1.00 0.00 C ATOM 540 O GLY A 36 12.874 13.468 -17.167 1.00 0.00 O ATOM 0 H GLY A 36 12.801 11.200 -17.024 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.884 12.127 -15.180 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.375 11.805 -16.831 1.00 0.00 H new ATOM 544 N LEU A 37 14.714 14.510 -16.463 1.00 0.00 N ATOM 545 CA LEU A 37 14.237 15.819 -16.966 1.00 0.00 C ATOM 546 C LEU A 37 14.085 15.869 -18.502 1.00 0.00 C ATOM 547 O LEU A 37 13.434 16.757 -19.049 1.00 0.00 O ATOM 548 CB LEU A 37 15.053 17.006 -16.433 1.00 0.00 C ATOM 549 CG LEU A 37 16.577 16.896 -16.635 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.200 18.251 -16.967 1.00 0.00 C ATOM 551 CD2 LEU A 37 17.219 16.391 -15.345 1.00 0.00 C ATOM 0 H LEU A 37 15.621 14.531 -15.997 1.00 0.00 H new ATOM 0 HA LEU A 37 13.232 15.923 -16.556 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.702 17.916 -16.920 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.851 17.117 -15.368 1.00 0.00 H new ATOM 0 HG LEU A 37 16.752 16.210 -17.464 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.275 18.134 -17.102 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.759 18.639 -17.885 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.011 18.948 -16.151 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.297 16.311 -15.482 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.007 17.089 -14.535 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.812 15.411 -15.095 1.00 0.00 H new ATOM 563 N GLU A 38 14.651 14.870 -19.178 1.00 0.00 N ATOM 564 CA GLU A 38 14.484 14.559 -20.600 1.00 0.00 C ATOM 565 C GLU A 38 14.712 13.054 -20.837 1.00 0.00 C ATOM 566 O GLU A 38 15.230 12.351 -19.964 1.00 0.00 O ATOM 567 CB GLU A 38 15.404 15.437 -21.471 1.00 0.00 C ATOM 568 CG GLU A 38 16.901 15.312 -21.168 1.00 0.00 C ATOM 569 CD GLU A 38 17.722 16.194 -22.128 1.00 0.00 C ATOM 570 OE1 GLU A 38 17.927 17.397 -21.834 1.00 0.00 O ATOM 571 OE2 GLU A 38 18.173 15.693 -23.187 1.00 0.00 O ATOM 0 H GLU A 38 15.280 14.212 -18.718 1.00 0.00 H new ATOM 0 HA GLU A 38 13.462 14.791 -20.899 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.239 15.182 -22.518 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.110 16.479 -21.346 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.095 15.608 -20.137 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.212 14.272 -21.265 1.00 0.00 H new ATOM 578 N SER A 39 14.325 12.557 -22.011 1.00 0.00 N ATOM 579 CA SER A 39 14.552 11.176 -22.460 1.00 0.00 C ATOM 580 C SER A 39 15.624 11.098 -23.556 1.00 0.00 C ATOM 581 O SER A 39 15.833 12.042 -24.325 1.00 0.00 O ATOM 582 CB SER A 39 13.236 10.556 -22.947 1.00 0.00 C ATOM 583 OG SER A 39 12.605 11.394 -23.907 1.00 0.00 O ATOM 0 H SER A 39 13.828 13.120 -22.702 1.00 0.00 H new ATOM 0 HA SER A 39 14.921 10.607 -21.607 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.431 9.577 -23.385 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.568 10.399 -22.100 1.00 0.00 H new ATOM 0 HG SER A 39 11.769 10.978 -24.205 1.00 0.00 H new ATOM 589 N SER A 40 16.299 9.949 -23.634 1.00 0.00 N ATOM 590 CA SER A 40 17.210 9.575 -24.726 1.00 0.00 C ATOM 591 C SER A 40 17.017 8.092 -25.099 1.00 0.00 C ATOM 592 O SER A 40 16.256 7.788 -26.020 1.00 0.00 O ATOM 593 CB SER A 40 18.644 9.961 -24.336 1.00 0.00 C ATOM 594 OG SER A 40 19.610 9.532 -25.287 1.00 0.00 O ATOM 0 H SER A 40 16.226 9.227 -22.917 1.00 0.00 H new ATOM 0 HA SER A 40 16.981 10.127 -25.638 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.706 11.044 -24.225 1.00 0.00 H new ATOM 0 HB3 SER A 40 18.880 9.527 -23.364 1.00 0.00 H new ATOM 0 HG SER A 40 20.335 9.060 -24.827 1.00 0.00 H new ATOM 600 N ARG A 41 17.652 7.172 -24.356 1.00 0.00 N ATOM 601 CA ARG A 41 17.454 5.704 -24.396 1.00 0.00 C ATOM 602 C ARG A 41 18.079 5.055 -23.156 1.00 0.00 C ATOM 603 O ARG A 41 18.970 5.659 -22.569 1.00 0.00 O ATOM 604 CB ARG A 41 18.035 5.108 -25.706 1.00 0.00 C ATOM 605 CG ARG A 41 19.362 5.681 -26.248 1.00 0.00 C ATOM 606 CD ARG A 41 20.571 5.552 -25.310 1.00 0.00 C ATOM 607 NE ARG A 41 21.826 5.924 -25.997 1.00 0.00 N ATOM 608 CZ ARG A 41 22.610 5.154 -26.736 1.00 0.00 C ATOM 609 NH1 ARG A 41 22.337 3.901 -26.972 1.00 0.00 N ATOM 610 NH2 ARG A 41 23.697 5.635 -27.261 1.00 0.00 N ATOM 0 H ARG A 41 18.358 7.442 -23.671 1.00 0.00 H new ATOM 0 HA ARG A 41 16.385 5.490 -24.387 1.00 0.00 H new ATOM 0 HB2 ARG A 41 18.174 4.038 -25.551 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.281 5.222 -26.485 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.597 5.179 -27.187 1.00 0.00 H new ATOM 0 HG3 ARG A 41 19.214 6.736 -26.479 1.00 0.00 H new ATOM 0 HD2 ARG A 41 20.428 6.191 -24.439 1.00 0.00 H new ATOM 0 HD3 ARG A 41 20.643 4.527 -24.945 1.00 0.00 H new ATOM 0 HE ARG A 41 22.125 6.893 -25.888 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.493 3.481 -26.582 1.00 0.00 H new ATOM 0 HH12 ARG A 41 22.967 3.341 -27.547 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.950 6.611 -27.105 1.00 0.00 H new ATOM 0 HH22 ARG A 41 24.297 5.037 -27.829 1.00 0.00 H new ATOM 624 N VAL A 42 17.668 3.845 -22.751 1.00 0.00 N ATOM 625 CA VAL A 42 18.417 3.096 -21.699 1.00 0.00 C ATOM 626 C VAL A 42 19.846 2.849 -22.198 1.00 0.00 C ATOM 627 O VAL A 42 20.034 2.480 -23.358 1.00 0.00 O ATOM 628 CB VAL A 42 17.788 1.741 -21.288 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.502 1.157 -20.054 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.325 1.863 -20.885 1.00 0.00 C ATOM 0 H VAL A 42 16.846 3.364 -23.116 1.00 0.00 H new ATOM 0 HA VAL A 42 18.389 3.720 -20.806 1.00 0.00 H new ATOM 0 HB VAL A 42 17.889 1.107 -22.169 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.043 0.206 -19.784 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.556 0.999 -20.284 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.413 1.852 -19.219 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.941 0.881 -20.608 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.237 2.540 -20.035 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.748 2.255 -21.723 1.00 0.00 H new ATOM 640 N HIS A 43 20.857 3.038 -21.345 1.00 0.00 N ATOM 641 CA HIS A 43 22.240 2.692 -21.689 1.00 0.00 C ATOM 642 C HIS A 43 22.344 1.169 -21.799 1.00 0.00 C ATOM 643 O HIS A 43 21.983 0.480 -20.846 1.00 0.00 O ATOM 644 CB HIS A 43 23.200 3.268 -20.642 1.00 0.00 C ATOM 645 CG HIS A 43 24.607 3.373 -21.164 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.500 2.314 -21.336 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.192 4.528 -21.584 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.624 2.871 -21.831 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.457 4.194 -22.001 1.00 0.00 N ATOM 0 H HIS A 43 20.744 3.429 -20.410 1.00 0.00 H new ATOM 0 HA HIS A 43 22.522 3.127 -22.648 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.853 4.255 -20.336 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.189 2.636 -19.754 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.749 5.513 -21.588 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.531 2.330 -22.059 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.152 4.840 -22.376 1.00 0.00 H new ATOM 657 N PRO A 44 22.811 0.597 -22.921 1.00 0.00 N ATOM 658 CA PRO A 44 22.701 -0.843 -23.129 1.00 0.00 C ATOM 659 C PRO A 44 23.584 -1.639 -22.151 1.00 0.00 C ATOM 660 O PRO A 44 23.238 -2.756 -21.763 1.00 0.00 O ATOM 661 CB PRO A 44 23.078 -1.048 -24.599 1.00 0.00 C ATOM 662 CG PRO A 44 24.044 0.100 -24.888 1.00 0.00 C ATOM 663 CD PRO A 44 23.455 1.241 -24.061 1.00 0.00 C ATOM 0 HA PRO A 44 21.699 -1.219 -22.925 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.549 -2.018 -24.760 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.202 -1.007 -25.247 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.062 -0.139 -24.582 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.079 0.344 -25.950 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.232 1.932 -23.735 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.738 1.819 -24.643 1.00 0.00 H new ATOM 671 N THR A 45 24.673 -1.034 -21.658 1.00 0.00 N ATOM 672 CA THR A 45 25.526 -1.616 -20.610 1.00 0.00 C ATOM 673 C THR A 45 24.831 -1.643 -19.247 1.00 0.00 C ATOM 674 O THR A 45 25.069 -2.563 -18.470 1.00 0.00 O ATOM 675 CB THR A 45 26.873 -0.878 -20.537 1.00 0.00 C ATOM 676 OG1 THR A 45 27.471 -0.877 -21.821 1.00 0.00 O ATOM 677 CG2 THR A 45 27.857 -1.554 -19.581 1.00 0.00 C ATOM 0 H THR A 45 24.990 -0.119 -21.977 1.00 0.00 H new ATOM 0 HA THR A 45 25.717 -2.654 -20.883 1.00 0.00 H new ATOM 0 HB THR A 45 26.666 0.130 -20.177 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.330 -0.406 -21.782 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.792 -0.994 -19.566 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.432 -1.578 -18.578 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.050 -2.573 -19.917 1.00 0.00 H new ATOM 685 N ALA A 46 23.894 -0.733 -18.950 1.00 0.00 N ATOM 686 CA ALA A 46 23.127 -0.778 -17.698 1.00 0.00 C ATOM 687 C ALA A 46 22.297 -2.063 -17.583 1.00 0.00 C ATOM 688 O ALA A 46 22.330 -2.730 -16.554 1.00 0.00 O ATOM 689 CB ALA A 46 22.230 0.464 -17.619 1.00 0.00 C ATOM 0 H ALA A 46 23.648 0.045 -19.562 1.00 0.00 H new ATOM 0 HA ALA A 46 23.824 -0.781 -16.860 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.656 0.440 -16.693 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.848 1.361 -17.640 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.547 0.474 -18.469 1.00 0.00 H new ATOM 695 N ILE A 47 21.634 -2.472 -18.670 1.00 0.00 N ATOM 696 CA ILE A 47 20.899 -3.747 -18.743 1.00 0.00 C ATOM 697 C ILE A 47 21.855 -4.929 -18.523 1.00 0.00 C ATOM 698 O ILE A 47 21.553 -5.819 -17.734 1.00 0.00 O ATOM 699 CB ILE A 47 20.164 -3.837 -20.101 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.066 -2.749 -20.218 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.535 -5.222 -20.326 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.130 -1.997 -21.545 1.00 0.00 C ATOM 0 H ILE A 47 21.590 -1.927 -19.531 1.00 0.00 H new ATOM 0 HA ILE A 47 20.152 -3.790 -17.951 1.00 0.00 H new ATOM 0 HB ILE A 47 20.918 -3.672 -20.871 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.086 -3.214 -20.114 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.172 -2.040 -19.397 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.030 -5.240 -21.292 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.315 -5.983 -20.311 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.813 -5.427 -19.535 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.340 -1.247 -21.576 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.099 -1.508 -21.640 1.00 0.00 H new ATOM 0 HD13 ILE A 47 18.996 -2.699 -22.368 1.00 0.00 H new ATOM 714 N ALA A 48 23.041 -4.904 -19.138 1.00 0.00 N ATOM 715 CA ALA A 48 24.057 -5.953 -18.955 1.00 0.00 C ATOM 716 C ALA A 48 24.560 -6.048 -17.501 1.00 0.00 C ATOM 717 O ALA A 48 24.784 -7.136 -16.974 1.00 0.00 O ATOM 718 CB ALA A 48 25.215 -5.668 -19.913 1.00 0.00 C ATOM 0 H ALA A 48 23.326 -4.160 -19.775 1.00 0.00 H new ATOM 0 HA ALA A 48 23.604 -6.919 -19.177 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.982 -6.434 -19.795 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.848 -5.676 -20.939 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.641 -4.690 -19.688 1.00 0.00 H new ATOM 724 N MET A 49 24.688 -4.901 -16.833 1.00 0.00 N ATOM 725 CA MET A 49 25.126 -4.778 -15.441 1.00 0.00 C ATOM 726 C MET A 49 24.035 -5.194 -14.449 1.00 0.00 C ATOM 727 O MET A 49 24.361 -5.722 -13.390 1.00 0.00 O ATOM 728 CB MET A 49 25.611 -3.343 -15.194 1.00 0.00 C ATOM 729 CG MET A 49 26.863 -3.025 -16.020 1.00 0.00 C ATOM 730 SD MET A 49 28.424 -3.516 -15.236 1.00 0.00 S ATOM 731 CE MET A 49 28.800 -5.041 -16.132 1.00 0.00 C ATOM 0 H MET A 49 24.482 -3.999 -17.262 1.00 0.00 H new ATOM 0 HA MET A 49 25.953 -5.467 -15.272 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.817 -2.640 -15.448 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.828 -3.208 -14.134 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.783 -3.524 -16.986 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.891 -1.953 -16.217 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.761 -5.432 -15.797 1.00 0.00 H new ATOM 0 HE2 MET A 49 28.021 -5.778 -15.939 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.846 -4.833 -17.201 1.00 0.00 H new ATOM 741 N MET A 50 22.754 -5.018 -14.782 1.00 0.00 N ATOM 742 CA MET A 50 21.644 -5.582 -14.003 1.00 0.00 C ATOM 743 C MET A 50 21.491 -7.097 -14.245 1.00 0.00 C ATOM 744 O MET A 50 21.160 -7.842 -13.321 1.00 0.00 O ATOM 745 CB MET A 50 20.344 -4.831 -14.334 1.00 0.00 C ATOM 746 CG MET A 50 20.361 -3.353 -13.908 1.00 0.00 C ATOM 747 SD MET A 50 20.746 -3.011 -12.166 1.00 0.00 S ATOM 748 CE MET A 50 19.553 -4.097 -11.352 1.00 0.00 C ATOM 0 H MET A 50 22.455 -4.482 -15.597 1.00 0.00 H new ATOM 0 HA MET A 50 21.866 -5.453 -12.944 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.164 -4.889 -15.407 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.510 -5.332 -13.843 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.089 -2.829 -14.527 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.385 -2.923 -14.132 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.120 -3.583 -10.494 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.762 -4.360 -12.054 1.00 0.00 H new ATOM 0 HE3 MET A 50 20.056 -5.004 -11.016 1.00 0.00 H new ATOM 758 N GLU A 51 21.842 -7.588 -15.435 1.00 0.00 N ATOM 759 CA GLU A 51 21.867 -9.026 -15.730 1.00 0.00 C ATOM 760 C GLU A 51 22.989 -9.783 -14.994 1.00 0.00 C ATOM 761 O GLU A 51 22.857 -10.988 -14.782 1.00 0.00 O ATOM 762 CB GLU A 51 21.942 -9.250 -17.249 1.00 0.00 C ATOM 763 CG GLU A 51 20.588 -9.072 -17.947 1.00 0.00 C ATOM 764 CD GLU A 51 19.723 -10.343 -17.815 1.00 0.00 C ATOM 765 OE1 GLU A 51 19.065 -10.545 -16.767 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.698 -11.160 -18.770 1.00 0.00 O ATOM 0 H GLU A 51 22.117 -7.002 -16.223 1.00 0.00 H new ATOM 0 HA GLU A 51 20.935 -9.446 -15.351 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.661 -8.552 -17.679 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.317 -10.255 -17.445 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.060 -8.223 -17.513 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.746 -8.844 -19.001 1.00 0.00 H new ATOM 773 N GLU A 52 24.047 -9.108 -14.511 1.00 0.00 N ATOM 774 CA GLU A 52 25.059 -9.755 -13.647 1.00 0.00 C ATOM 775 C GLU A 52 24.461 -10.240 -12.311 1.00 0.00 C ATOM 776 O GLU A 52 24.916 -11.240 -11.751 1.00 0.00 O ATOM 777 CB GLU A 52 26.213 -8.803 -13.302 1.00 0.00 C ATOM 778 CG GLU A 52 27.086 -8.334 -14.473 1.00 0.00 C ATOM 779 CD GLU A 52 28.448 -7.826 -13.958 1.00 0.00 C ATOM 780 OE1 GLU A 52 28.478 -7.073 -12.951 1.00 0.00 O ATOM 781 OE2 GLU A 52 29.498 -8.201 -14.528 1.00 0.00 O ATOM 0 H GLU A 52 24.226 -8.122 -14.701 1.00 0.00 H new ATOM 0 HA GLU A 52 25.424 -10.603 -14.226 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.795 -7.923 -12.814 1.00 0.00 H new ATOM 0 HB3 GLU A 52 26.856 -9.296 -12.573 1.00 0.00 H new ATOM 0 HG2 GLU A 52 27.238 -9.155 -15.173 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.577 -7.540 -15.019 1.00 0.00 H new ATOM 788 N VAL A 53 23.431 -9.541 -11.812 1.00 0.00 N ATOM 789 CA VAL A 53 22.684 -9.873 -10.580 1.00 0.00 C ATOM 790 C VAL A 53 21.339 -10.567 -10.871 1.00 0.00 C ATOM 791 O VAL A 53 20.517 -10.744 -9.972 1.00 0.00 O ATOM 792 CB VAL A 53 22.543 -8.648 -9.645 1.00 0.00 C ATOM 793 CG1 VAL A 53 23.918 -8.169 -9.163 1.00 0.00 C ATOM 794 CG2 VAL A 53 21.836 -7.456 -10.301 1.00 0.00 C ATOM 0 H VAL A 53 23.079 -8.699 -12.268 1.00 0.00 H new ATOM 0 HA VAL A 53 23.279 -10.608 -10.038 1.00 0.00 H new ATOM 0 HB VAL A 53 21.932 -8.994 -8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 53 23.794 -7.307 -8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 53 24.412 -8.972 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 53 24.527 -7.887 -10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.772 -6.634 -9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 53 22.401 -7.135 -11.176 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.832 -7.751 -10.605 1.00 0.00 H new ATOM 804 N GLY A 54 21.112 -10.974 -12.127 1.00 0.00 N ATOM 805 CA GLY A 54 19.911 -11.696 -12.568 1.00 0.00 C ATOM 806 C GLY A 54 18.623 -10.859 -12.617 1.00 0.00 C ATOM 807 O GLY A 54 17.529 -11.428 -12.613 1.00 0.00 O ATOM 0 H GLY A 54 21.775 -10.806 -12.884 1.00 0.00 H new ATOM 0 HA2 GLY A 54 20.097 -12.105 -13.561 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.750 -12.542 -11.900 1.00 0.00 H new ATOM 811 N ILE A 55 18.730 -9.525 -12.639 1.00 0.00 N ATOM 812 CA ILE A 55 17.590 -8.596 -12.689 1.00 0.00 C ATOM 813 C ILE A 55 17.389 -8.118 -14.129 1.00 0.00 C ATOM 814 O ILE A 55 18.236 -7.431 -14.698 1.00 0.00 O ATOM 815 CB ILE A 55 17.788 -7.437 -11.686 1.00 0.00 C ATOM 816 CG1 ILE A 55 17.763 -7.982 -10.236 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.703 -6.360 -11.866 1.00 0.00 C ATOM 818 CD1 ILE A 55 17.938 -6.924 -9.138 1.00 0.00 C ATOM 0 H ILE A 55 19.632 -9.049 -12.622 1.00 0.00 H new ATOM 0 HA ILE A 55 16.676 -9.106 -12.384 1.00 0.00 H new ATOM 0 HB ILE A 55 18.757 -6.978 -11.880 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.816 -8.497 -10.075 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.553 -8.726 -10.131 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.866 -5.556 -11.148 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.753 -5.958 -12.878 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.721 -6.802 -11.699 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.906 -7.405 -8.161 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.898 -6.423 -9.265 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.134 -6.191 -9.208 1.00 0.00 H new ATOM 830 N ASP A 56 16.232 -8.441 -14.708 1.00 0.00 N ATOM 831 CA ASP A 56 15.897 -8.054 -16.079 1.00 0.00 C ATOM 832 C ASP A 56 15.269 -6.652 -16.151 1.00 0.00 C ATOM 833 O ASP A 56 14.193 -6.411 -15.596 1.00 0.00 O ATOM 834 CB ASP A 56 14.986 -9.119 -16.710 1.00 0.00 C ATOM 835 CG ASP A 56 14.561 -8.764 -18.147 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.316 -8.046 -18.848 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.467 -9.196 -18.578 1.00 0.00 O ATOM 0 H ASP A 56 15.501 -8.978 -14.240 1.00 0.00 H new ATOM 0 HA ASP A 56 16.822 -7.999 -16.653 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.505 -10.078 -16.716 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.096 -9.242 -16.092 1.00 0.00 H new ATOM 842 N ILE A 57 15.934 -5.742 -16.870 1.00 0.00 N ATOM 843 CA ILE A 57 15.410 -4.418 -17.261 1.00 0.00 C ATOM 844 C ILE A 57 15.405 -4.220 -18.794 1.00 0.00 C ATOM 845 O ILE A 57 15.246 -3.103 -19.271 1.00 0.00 O ATOM 846 CB ILE A 57 16.121 -3.256 -16.527 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.633 -3.185 -16.811 1.00 0.00 C ATOM 848 CG2 ILE A 57 15.856 -3.262 -15.010 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.166 -1.744 -16.761 1.00 0.00 C ATOM 0 H ILE A 57 16.882 -5.906 -17.209 1.00 0.00 H new ATOM 0 HA ILE A 57 14.370 -4.395 -16.937 1.00 0.00 H new ATOM 0 HB ILE A 57 15.675 -2.353 -16.943 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.167 -3.794 -16.081 1.00 0.00 H new ATOM 0 HG13 ILE A 57 17.837 -3.612 -17.793 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.379 -2.426 -14.546 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.786 -3.167 -14.827 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.216 -4.197 -14.581 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.236 -1.745 -16.967 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.653 -1.140 -17.509 1.00 0.00 H new ATOM 0 HD13 ILE A 57 17.988 -1.324 -15.771 1.00 0.00 H new ATOM 861 N SER A 58 15.577 -5.284 -19.590 1.00 0.00 N ATOM 862 CA SER A 58 15.710 -5.200 -21.061 1.00 0.00 C ATOM 863 C SER A 58 14.462 -4.651 -21.771 1.00 0.00 C ATOM 864 O SER A 58 14.568 -4.101 -22.868 1.00 0.00 O ATOM 865 CB SER A 58 16.089 -6.572 -21.638 1.00 0.00 C ATOM 866 OG SER A 58 15.096 -7.542 -21.375 1.00 0.00 O ATOM 0 H SER A 58 15.629 -6.238 -19.233 1.00 0.00 H new ATOM 0 HA SER A 58 16.506 -4.480 -21.251 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.237 -6.486 -22.714 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.038 -6.897 -21.211 1.00 0.00 H new ATOM 0 HG SER A 58 14.920 -7.577 -20.412 1.00 0.00 H new ATOM 872 N GLY A 59 13.290 -4.732 -21.127 1.00 0.00 N ATOM 873 CA GLY A 59 12.031 -4.137 -21.591 1.00 0.00 C ATOM 874 C GLY A 59 11.850 -2.643 -21.276 1.00 0.00 C ATOM 875 O GLY A 59 10.796 -2.092 -21.602 1.00 0.00 O ATOM 0 H GLY A 59 13.190 -5.229 -20.242 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.960 -4.274 -22.670 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.203 -4.688 -21.145 1.00 0.00 H new ATOM 879 N GLN A 60 12.826 -1.968 -20.644 1.00 0.00 N ATOM 880 CA GLN A 60 12.731 -0.539 -20.326 1.00 0.00 C ATOM 881 C GLN A 60 12.979 0.343 -21.558 1.00 0.00 C ATOM 882 O GLN A 60 13.708 -0.006 -22.491 1.00 0.00 O ATOM 883 CB GLN A 60 13.710 -0.146 -19.208 1.00 0.00 C ATOM 884 CG GLN A 60 13.256 -0.523 -17.789 1.00 0.00 C ATOM 885 CD GLN A 60 14.304 -0.137 -16.742 1.00 0.00 C ATOM 886 OE1 GLN A 60 15.459 0.122 -17.039 1.00 0.00 O ATOM 887 NE2 GLN A 60 13.977 -0.136 -15.471 1.00 0.00 N ATOM 0 H GLN A 60 13.699 -2.400 -20.341 1.00 0.00 H new ATOM 0 HA GLN A 60 11.711 -0.369 -19.981 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.672 -0.620 -19.404 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.871 0.931 -19.248 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.314 -0.024 -17.563 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.069 -1.596 -17.739 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.020 -0.349 -15.191 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.680 0.077 -14.764 1.00 0.00 H new ATOM 896 N THR A 61 12.409 1.541 -21.491 1.00 0.00 N ATOM 897 CA THR A 61 12.616 2.687 -22.388 1.00 0.00 C ATOM 898 C THR A 61 12.829 3.934 -21.519 1.00 0.00 C ATOM 899 O THR A 61 12.529 3.919 -20.320 1.00 0.00 O ATOM 900 CB THR A 61 11.429 2.880 -23.357 1.00 0.00 C ATOM 901 OG1 THR A 61 10.202 2.915 -22.655 1.00 0.00 O ATOM 902 CG2 THR A 61 11.351 1.751 -24.388 1.00 0.00 C ATOM 0 H THR A 61 11.738 1.759 -20.754 1.00 0.00 H new ATOM 0 HA THR A 61 13.492 2.508 -23.012 1.00 0.00 H new ATOM 0 HB THR A 61 11.599 3.828 -23.867 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.466 3.040 -23.289 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.503 1.922 -25.052 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.271 1.728 -24.973 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.223 0.798 -23.875 1.00 0.00 H new ATOM 910 N SER A 62 13.402 5.005 -22.079 1.00 0.00 N ATOM 911 CA SER A 62 13.540 6.269 -21.338 1.00 0.00 C ATOM 912 C SER A 62 12.341 7.216 -21.529 1.00 0.00 C ATOM 913 O SER A 62 11.790 7.316 -22.627 1.00 0.00 O ATOM 914 CB SER A 62 14.885 6.925 -21.619 1.00 0.00 C ATOM 915 OG SER A 62 14.897 7.582 -22.866 1.00 0.00 O ATOM 0 H SER A 62 13.774 5.026 -23.029 1.00 0.00 H new ATOM 0 HA SER A 62 13.526 6.024 -20.276 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.112 7.641 -20.829 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.670 6.169 -21.599 1.00 0.00 H new ATOM 0 HG SER A 62 14.878 6.917 -23.586 1.00 0.00 H new ATOM 921 N ASP A 63 11.941 7.916 -20.462 1.00 0.00 N ATOM 922 CA ASP A 63 10.774 8.826 -20.446 1.00 0.00 C ATOM 923 C ASP A 63 11.022 10.148 -19.673 1.00 0.00 C ATOM 924 O ASP A 63 11.741 10.146 -18.666 1.00 0.00 O ATOM 925 CB ASP A 63 9.548 8.112 -19.864 1.00 0.00 C ATOM 926 CG ASP A 63 8.941 7.095 -20.842 1.00 0.00 C ATOM 927 OD1 ASP A 63 8.352 7.526 -21.862 1.00 0.00 O ATOM 928 OD2 ASP A 63 8.999 5.873 -20.566 1.00 0.00 O ATOM 0 H ASP A 63 12.424 7.870 -19.565 1.00 0.00 H new ATOM 0 HA ASP A 63 10.595 9.100 -21.486 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.832 7.602 -18.944 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.793 8.852 -19.599 1.00 0.00 H new ATOM 933 N PRO A 64 10.416 11.278 -20.100 1.00 0.00 N ATOM 934 CA PRO A 64 10.634 12.600 -19.509 1.00 0.00 C ATOM 935 C PRO A 64 9.685 12.914 -18.336 1.00 0.00 C ATOM 936 O PRO A 64 8.510 12.544 -18.334 1.00 0.00 O ATOM 937 CB PRO A 64 10.443 13.578 -20.672 1.00 0.00 C ATOM 938 CG PRO A 64 9.329 12.917 -21.483 1.00 0.00 C ATOM 939 CD PRO A 64 9.619 11.423 -21.317 1.00 0.00 C ATOM 0 HA PRO A 64 11.625 12.667 -19.061 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.157 14.571 -20.324 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.355 13.696 -21.257 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.342 13.181 -21.102 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.358 13.220 -22.530 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.691 10.856 -21.241 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.159 11.036 -22.181 1.00 0.00 H new ATOM 947 N ILE A 65 10.175 13.686 -17.366 1.00 0.00 N ATOM 948 CA ILE A 65 9.488 14.084 -16.124 1.00 0.00 C ATOM 949 C ILE A 65 8.179 14.838 -16.404 1.00 0.00 C ATOM 950 O ILE A 65 7.163 14.615 -15.757 1.00 0.00 O ATOM 951 CB ILE A 65 10.479 14.919 -15.275 1.00 0.00 C ATOM 952 CG1 ILE A 65 10.002 15.009 -13.822 1.00 0.00 C ATOM 953 CG2 ILE A 65 10.748 16.333 -15.838 1.00 0.00 C ATOM 954 CD1 ILE A 65 10.956 15.793 -12.920 1.00 0.00 C ATOM 0 H ILE A 65 11.116 14.076 -17.423 1.00 0.00 H new ATOM 0 HA ILE A 65 9.191 13.196 -15.566 1.00 0.00 H new ATOM 0 HB ILE A 65 11.429 14.387 -15.319 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.020 15.481 -13.798 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.881 14.002 -13.423 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.451 16.855 -15.189 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.170 16.252 -16.840 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.813 16.891 -15.883 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.559 15.819 -11.905 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.933 15.309 -12.915 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.058 16.811 -13.296 1.00 0.00 H new ATOM 966 N GLU A 66 8.182 15.679 -17.439 1.00 0.00 N ATOM 967 CA GLU A 66 7.062 16.565 -17.796 1.00 0.00 C ATOM 968 C GLU A 66 5.808 15.835 -18.324 1.00 0.00 C ATOM 969 O GLU A 66 4.741 16.448 -18.404 1.00 0.00 O ATOM 970 CB GLU A 66 7.547 17.661 -18.766 1.00 0.00 C ATOM 971 CG GLU A 66 8.327 17.134 -19.978 1.00 0.00 C ATOM 972 CD GLU A 66 8.520 18.244 -21.029 1.00 0.00 C ATOM 973 OE1 GLU A 66 9.469 19.057 -20.903 1.00 0.00 O ATOM 974 OE2 GLU A 66 7.716 18.319 -21.990 1.00 0.00 O ATOM 0 H GLU A 66 8.979 15.769 -18.069 1.00 0.00 H new ATOM 0 HA GLU A 66 6.727 17.028 -16.868 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.683 18.223 -19.121 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.179 18.360 -18.218 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.298 16.759 -19.656 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.793 16.294 -20.423 1.00 0.00 H new ATOM 981 N ASN A 67 5.895 14.530 -18.633 1.00 0.00 N ATOM 982 CA ASN A 67 4.728 13.697 -18.968 1.00 0.00 C ATOM 983 C ASN A 67 4.075 13.018 -17.736 1.00 0.00 C ATOM 984 O ASN A 67 2.963 12.498 -17.845 1.00 0.00 O ATOM 985 CB ASN A 67 5.102 12.701 -20.092 1.00 0.00 C ATOM 986 CG ASN A 67 5.226 11.254 -19.626 1.00 0.00 C ATOM 987 OD1 ASN A 67 4.388 10.411 -19.904 1.00 0.00 O ATOM 988 ND2 ASN A 67 6.252 10.926 -18.878 1.00 0.00 N ATOM 0 H ASN A 67 6.779 14.022 -18.657 1.00 0.00 H new ATOM 0 HA ASN A 67 3.945 14.355 -19.345 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.347 12.755 -20.877 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.048 13.010 -20.537 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.346 9.971 -18.532 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.956 11.626 -18.642 1.00 0.00 H new ATOM 995 N PHE A 68 4.754 13.002 -16.580 1.00 0.00 N ATOM 996 CA PHE A 68 4.371 12.218 -15.399 1.00 0.00 C ATOM 997 C PHE A 68 3.665 13.036 -14.294 1.00 0.00 C ATOM 998 O PHE A 68 3.538 14.261 -14.366 1.00 0.00 O ATOM 999 CB PHE A 68 5.622 11.488 -14.877 1.00 0.00 C ATOM 1000 CG PHE A 68 6.108 10.319 -15.709 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.242 9.253 -16.019 1.00 0.00 C ATOM 1002 CD2 PHE A 68 7.446 10.271 -16.148 1.00 0.00 C ATOM 1003 CE1 PHE A 68 5.704 8.158 -16.769 1.00 0.00 C ATOM 1004 CE2 PHE A 68 7.905 9.174 -16.900 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.035 8.115 -17.210 1.00 0.00 C ATOM 0 H PHE A 68 5.604 13.547 -16.438 1.00 0.00 H new ATOM 0 HA PHE A 68 3.615 11.495 -15.705 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.433 12.212 -14.796 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.414 11.129 -13.869 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.217 9.277 -15.679 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.121 11.079 -15.907 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.032 7.347 -17.007 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.930 9.146 -17.240 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.389 7.272 -17.785 1.00 0.00 H new ATOM 1015 N ASN A 69 3.195 12.319 -13.264 1.00 0.00 N ATOM 1016 CA ASN A 69 2.334 12.801 -12.179 1.00 0.00 C ATOM 1017 C ASN A 69 3.024 12.710 -10.800 1.00 0.00 C ATOM 1018 O ASN A 69 2.820 11.744 -10.064 1.00 0.00 O ATOM 1019 CB ASN A 69 0.987 12.039 -12.253 1.00 0.00 C ATOM 1020 CG ASN A 69 1.091 10.530 -12.487 1.00 0.00 C ATOM 1021 OD1 ASN A 69 0.702 10.018 -13.528 1.00 0.00 O ATOM 1022 ND2 ASN A 69 1.626 9.774 -11.555 1.00 0.00 N ATOM 0 H ASN A 69 3.420 11.329 -13.161 1.00 0.00 H new ATOM 0 HA ASN A 69 2.135 13.865 -12.306 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.444 12.207 -11.323 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.389 12.472 -13.055 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.714 8.769 -11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.953 10.193 -10.684 1.00 0.00 H new ATOM 1029 N ALA A 70 3.799 13.733 -10.409 1.00 0.00 N ATOM 1030 CA ALA A 70 4.466 13.773 -9.097 1.00 0.00 C ATOM 1031 C ALA A 70 3.501 13.505 -7.920 1.00 0.00 C ATOM 1032 O ALA A 70 3.886 12.873 -6.940 1.00 0.00 O ATOM 1033 CB ALA A 70 5.100 15.144 -8.880 1.00 0.00 C ATOM 0 H ALA A 70 3.981 14.552 -10.989 1.00 0.00 H new ATOM 0 HA ALA A 70 5.216 12.982 -9.111 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.592 15.168 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.834 15.333 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.327 15.912 -8.914 1.00 0.00 H new ATOM 1039 N ASP A 71 2.245 13.949 -8.049 1.00 0.00 N ATOM 1040 CA ASP A 71 1.186 13.837 -7.040 1.00 0.00 C ATOM 1041 C ASP A 71 0.901 12.396 -6.570 1.00 0.00 C ATOM 1042 O ASP A 71 0.495 12.185 -5.422 1.00 0.00 O ATOM 1043 CB ASP A 71 -0.092 14.431 -7.644 1.00 0.00 C ATOM 1044 CG ASP A 71 -1.244 14.486 -6.625 1.00 0.00 C ATOM 1045 OD1 ASP A 71 -1.165 15.292 -5.668 1.00 0.00 O ATOM 1046 OD2 ASP A 71 -2.244 13.750 -6.799 1.00 0.00 O ATOM 0 H ASP A 71 1.925 14.417 -8.897 1.00 0.00 H new ATOM 0 HA ASP A 71 1.524 14.374 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.115 15.436 -8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.397 13.834 -8.504 1.00 0.00 H new ATOM 1051 N ASP A 72 1.128 11.404 -7.438 1.00 0.00 N ATOM 1052 CA ASP A 72 0.966 9.987 -7.088 1.00 0.00 C ATOM 1053 C ASP A 72 2.207 9.391 -6.411 1.00 0.00 C ATOM 1054 O ASP A 72 2.094 8.455 -5.620 1.00 0.00 O ATOM 1055 CB ASP A 72 0.611 9.180 -8.340 1.00 0.00 C ATOM 1056 CG ASP A 72 0.184 7.743 -7.986 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -0.835 7.574 -7.271 1.00 0.00 O ATOM 1058 OD2 ASP A 72 0.848 6.782 -8.442 1.00 0.00 O ATOM 0 H ASP A 72 1.428 11.559 -8.400 1.00 0.00 H new ATOM 0 HA ASP A 72 0.155 9.929 -6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.196 9.678 -8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.470 9.150 -9.010 1.00 0.00 H new ATOM 1063 N TYR A 73 3.396 9.917 -6.704 1.00 0.00 N ATOM 1064 CA TYR A 73 4.663 9.374 -6.240 1.00 0.00 C ATOM 1065 C TYR A 73 4.950 9.874 -4.822 1.00 0.00 C ATOM 1066 O TYR A 73 5.537 10.938 -4.625 1.00 0.00 O ATOM 1067 CB TYR A 73 5.769 9.719 -7.248 1.00 0.00 C ATOM 1068 CG TYR A 73 5.487 9.345 -8.697 1.00 0.00 C ATOM 1069 CD1 TYR A 73 4.827 8.141 -9.023 1.00 0.00 C ATOM 1070 CD2 TYR A 73 5.913 10.202 -9.730 1.00 0.00 C ATOM 1071 CE1 TYR A 73 4.567 7.816 -10.365 1.00 0.00 C ATOM 1072 CE2 TYR A 73 5.677 9.869 -11.079 1.00 0.00 C ATOM 1073 CZ TYR A 73 4.985 8.677 -11.397 1.00 0.00 C ATOM 1074 OH TYR A 73 4.730 8.326 -12.688 1.00 0.00 O ATOM 0 H TYR A 73 3.503 10.750 -7.283 1.00 0.00 H new ATOM 0 HA TYR A 73 4.620 8.286 -6.182 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.957 10.792 -7.200 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.687 9.221 -6.936 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.520 7.466 -8.237 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.425 11.122 -9.487 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.044 6.902 -10.606 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.023 10.521 -11.867 1.00 0.00 H new ATOM 0 HH TYR A 73 5.132 8.985 -13.292 1.00 0.00 H new ATOM 1084 N ASP A 74 4.530 9.082 -3.829 1.00 0.00 N ATOM 1085 CA ASP A 74 4.746 9.344 -2.399 1.00 0.00 C ATOM 1086 C ASP A 74 6.205 9.740 -2.104 1.00 0.00 C ATOM 1087 O ASP A 74 6.463 10.622 -1.284 1.00 0.00 O ATOM 1088 CB ASP A 74 4.396 8.081 -1.596 1.00 0.00 C ATOM 1089 CG ASP A 74 2.964 7.593 -1.831 1.00 0.00 C ATOM 1090 OD1 ASP A 74 1.998 8.233 -1.357 1.00 0.00 O ATOM 1091 OD2 ASP A 74 2.818 6.549 -2.510 1.00 0.00 O ATOM 0 H ASP A 74 4.017 8.218 -4.001 1.00 0.00 H new ATOM 0 HA ASP A 74 4.105 10.176 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.092 7.285 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.534 8.284 -0.534 1.00 0.00 H new ATOM 1096 N VAL A 75 7.155 9.140 -2.828 1.00 0.00 N ATOM 1097 CA VAL A 75 8.574 9.499 -2.785 1.00 0.00 C ATOM 1098 C VAL A 75 9.112 9.799 -4.182 1.00 0.00 C ATOM 1099 O VAL A 75 8.880 9.034 -5.121 1.00 0.00 O ATOM 1100 CB VAL A 75 9.402 8.383 -2.132 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.874 8.788 -2.008 1.00 0.00 C ATOM 1102 CG2 VAL A 75 8.856 8.005 -0.750 1.00 0.00 C ATOM 0 H VAL A 75 6.954 8.376 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 75 8.664 10.402 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 75 9.325 7.512 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.436 7.979 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.281 8.989 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.954 9.685 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.469 7.212 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.882 8.878 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.828 7.656 -0.848 1.00 0.00 H new ATOM 1112 N VAL A 76 9.901 10.866 -4.313 1.00 0.00 N ATOM 1113 CA VAL A 76 10.669 11.172 -5.528 1.00 0.00 C ATOM 1114 C VAL A 76 12.155 11.214 -5.191 1.00 0.00 C ATOM 1115 O VAL A 76 12.553 11.761 -4.168 1.00 0.00 O ATOM 1116 CB VAL A 76 10.200 12.481 -6.182 1.00 0.00 C ATOM 1117 CG1 VAL A 76 11.134 12.985 -7.295 1.00 0.00 C ATOM 1118 CG2 VAL A 76 8.810 12.298 -6.800 1.00 0.00 C ATOM 0 H VAL A 76 10.029 11.553 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 76 10.496 10.383 -6.260 1.00 0.00 H new ATOM 0 HB VAL A 76 10.194 13.218 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.739 13.912 -7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.127 13.166 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.200 12.234 -8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.490 13.233 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.849 11.516 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.101 12.015 -6.022 1.00 0.00 H new ATOM 1128 N ILE A 77 12.985 10.648 -6.059 1.00 0.00 N ATOM 1129 CA ILE A 77 14.433 10.569 -5.891 1.00 0.00 C ATOM 1130 C ILE A 77 15.110 11.189 -7.105 1.00 0.00 C ATOM 1131 O ILE A 77 14.831 10.788 -8.233 1.00 0.00 O ATOM 1132 CB ILE A 77 14.865 9.095 -5.749 1.00 0.00 C ATOM 1133 CG1 ILE A 77 14.084 8.273 -4.698 1.00 0.00 C ATOM 1134 CG2 ILE A 77 16.373 9.007 -5.480 1.00 0.00 C ATOM 1135 CD1 ILE A 77 14.228 8.757 -3.250 1.00 0.00 C ATOM 0 H ILE A 77 12.660 10.218 -6.925 1.00 0.00 H new ATOM 0 HA ILE A 77 14.726 11.111 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 77 14.617 8.635 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 77 13.027 8.284 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 77 14.416 7.236 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.665 7.961 -5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.917 9.459 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.610 9.538 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.643 8.115 -2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 77 15.277 8.718 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.867 9.782 -3.172 1.00 0.00 H new ATOM 1147 N SER A 78 16.025 12.131 -6.896 1.00 0.00 N ATOM 1148 CA SER A 78 16.905 12.633 -7.954 1.00 0.00 C ATOM 1149 C SER A 78 18.247 11.906 -7.893 1.00 0.00 C ATOM 1150 O SER A 78 18.756 11.599 -6.818 1.00 0.00 O ATOM 1151 CB SER A 78 17.083 14.144 -7.865 1.00 0.00 C ATOM 1152 OG SER A 78 17.730 14.578 -9.049 1.00 0.00 O ATOM 0 H SER A 78 16.180 12.570 -5.988 1.00 0.00 H new ATOM 0 HA SER A 78 16.441 12.430 -8.919 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.116 14.636 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.675 14.407 -6.988 1.00 0.00 H new ATOM 0 HG SER A 78 18.616 14.933 -8.826 1.00 0.00 H new ATOM 1158 N LEU A 79 18.809 11.591 -9.059 1.00 0.00 N ATOM 1159 CA LEU A 79 20.100 10.921 -9.232 1.00 0.00 C ATOM 1160 C LEU A 79 20.921 11.704 -10.264 1.00 0.00 C ATOM 1161 O LEU A 79 21.500 11.138 -11.185 1.00 0.00 O ATOM 1162 CB LEU A 79 19.907 9.427 -9.598 1.00 0.00 C ATOM 1163 CG LEU A 79 18.993 8.606 -8.661 1.00 0.00 C ATOM 1164 CD1 LEU A 79 17.533 8.639 -9.123 1.00 0.00 C ATOM 1165 CD2 LEU A 79 19.387 7.128 -8.675 1.00 0.00 C ATOM 0 H LEU A 79 18.358 11.805 -9.949 1.00 0.00 H new ATOM 0 HA LEU A 79 20.657 10.916 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.500 9.372 -10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 79 20.887 8.951 -9.623 1.00 0.00 H new ATOM 0 HG LEU A 79 19.105 9.051 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 79 16.922 8.050 -8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.178 9.669 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.459 8.221 -10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.730 6.570 -8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.294 6.736 -9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.419 7.023 -8.339 1.00 0.00 H new ATOM 1177 N CYS A 80 20.891 13.034 -10.167 1.00 0.00 N ATOM 1178 CA CYS A 80 21.422 13.945 -11.181 1.00 0.00 C ATOM 1179 C CYS A 80 22.950 14.119 -11.156 1.00 0.00 C ATOM 1180 O CYS A 80 23.572 14.166 -12.217 1.00 0.00 O ATOM 1181 CB CYS A 80 20.698 15.290 -11.009 1.00 0.00 C ATOM 1182 SG CYS A 80 20.957 15.956 -9.334 1.00 0.00 S ATOM 0 H CYS A 80 20.488 13.518 -9.364 1.00 0.00 H new ATOM 0 HA CYS A 80 21.232 13.509 -12.162 1.00 0.00 H new ATOM 0 HB2 CYS A 80 21.064 16.002 -11.749 1.00 0.00 H new ATOM 0 HB3 CYS A 80 19.631 15.160 -11.192 1.00 0.00 H new ATOM 0 HG CYS A 80 20.034 16.832 -9.068 1.00 0.00 H new ATOM 1188 N GLY A 81 23.565 14.146 -9.968 1.00 0.00 N ATOM 1189 CA GLY A 81 24.979 14.533 -9.821 1.00 0.00 C ATOM 1190 C GLY A 81 25.166 16.057 -9.849 1.00 0.00 C ATOM 1191 O GLY A 81 26.063 16.559 -10.527 1.00 0.00 O ATOM 0 H GLY A 81 23.106 13.904 -9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 81 25.367 14.138 -8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 81 25.563 14.082 -10.623 1.00 0.00 H new ATOM 1195 N CYS A 82 24.298 16.780 -9.124 1.00 0.00 N ATOM 1196 CA CYS A 82 24.141 18.245 -9.166 1.00 0.00 C ATOM 1197 C CYS A 82 23.653 18.762 -10.546 1.00 0.00 C ATOM 1198 O CYS A 82 23.395 17.984 -11.469 1.00 0.00 O ATOM 1199 CB CYS A 82 25.423 18.909 -8.625 1.00 0.00 C ATOM 1200 SG CYS A 82 25.064 20.575 -7.984 1.00 0.00 S ATOM 0 H CYS A 82 23.657 16.341 -8.463 1.00 0.00 H new ATOM 0 HA CYS A 82 23.329 18.545 -8.503 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.851 18.294 -7.833 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.168 18.972 -9.418 1.00 0.00 H new ATOM 0 HG CYS A 82 26.159 21.111 -7.533 1.00 0.00 H new ATOM 1206 N GLY A 83 23.438 20.078 -10.676 1.00 0.00 N ATOM 1207 CA GLY A 83 22.918 20.725 -11.895 1.00 0.00 C ATOM 1208 C GLY A 83 21.397 20.625 -12.099 1.00 0.00 C ATOM 1209 O GLY A 83 20.882 21.118 -13.104 1.00 0.00 O ATOM 0 H GLY A 83 23.624 20.739 -9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 83 23.196 21.779 -11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.413 20.283 -12.760 1.00 0.00 H new ATOM 1213 N VAL A 84 20.673 19.992 -11.164 1.00 0.00 N ATOM 1214 CA VAL A 84 19.215 19.746 -11.208 1.00 0.00 C ATOM 1215 C VAL A 84 18.628 19.912 -9.799 1.00 0.00 C ATOM 1216 O VAL A 84 19.156 19.333 -8.850 1.00 0.00 O ATOM 1217 CB VAL A 84 18.904 18.323 -11.724 1.00 0.00 C ATOM 1218 CG1 VAL A 84 17.397 18.101 -11.917 1.00 0.00 C ATOM 1219 CG2 VAL A 84 19.619 17.970 -13.034 1.00 0.00 C ATOM 0 H VAL A 84 21.102 19.619 -10.317 1.00 0.00 H new ATOM 0 HA VAL A 84 18.767 20.467 -11.892 1.00 0.00 H new ATOM 0 HB VAL A 84 19.283 17.663 -10.944 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.222 17.088 -12.281 1.00 0.00 H new ATOM 0 HG12 VAL A 84 16.884 18.238 -10.965 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.014 18.818 -12.643 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.351 16.956 -13.333 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.317 18.670 -13.813 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.697 18.033 -12.888 1.00 0.00 H new ATOM 1229 N ASN A 85 17.525 20.662 -9.661 1.00 0.00 N ATOM 1230 CA ASN A 85 16.902 20.963 -8.358 1.00 0.00 C ATOM 1231 C ASN A 85 15.381 20.675 -8.271 1.00 0.00 C ATOM 1232 O ASN A 85 14.814 20.793 -7.185 1.00 0.00 O ATOM 1233 CB ASN A 85 17.236 22.428 -8.014 1.00 0.00 C ATOM 1234 CG ASN A 85 18.725 22.658 -7.797 1.00 0.00 C ATOM 1235 OD1 ASN A 85 19.436 23.146 -8.665 1.00 0.00 O ATOM 1236 ND2 ASN A 85 19.251 22.301 -6.646 1.00 0.00 N ATOM 0 H ASN A 85 17.036 21.080 -10.452 1.00 0.00 H new ATOM 0 HA ASN A 85 17.320 20.278 -7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 85 16.887 23.074 -8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 85 16.693 22.718 -7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 85 20.249 22.431 -6.479 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.661 21.894 -5.920 1.00 0.00 H new ATOM 1243 N LEU A 86 14.723 20.299 -9.382 1.00 0.00 N ATOM 1244 CA LEU A 86 13.270 20.039 -9.487 1.00 0.00 C ATOM 1245 C LEU A 86 12.362 21.089 -8.782 1.00 0.00 C ATOM 1246 O LEU A 86 11.630 20.740 -7.856 1.00 0.00 O ATOM 1247 CB LEU A 86 12.968 18.583 -9.050 1.00 0.00 C ATOM 1248 CG LEU A 86 13.627 17.447 -9.836 1.00 0.00 C ATOM 1249 CD1 LEU A 86 13.034 16.119 -9.358 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.352 17.591 -11.330 1.00 0.00 C ATOM 0 H LEU A 86 15.206 20.161 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 86 13.004 20.155 -10.538 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.261 18.480 -8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.889 18.438 -9.094 1.00 0.00 H new ATOM 0 HG LEU A 86 14.704 17.480 -9.671 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.492 15.297 -9.908 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.229 15.996 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.958 16.117 -9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.830 16.773 -11.868 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.277 17.562 -11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.752 18.541 -11.684 1.00 0.00 H new ATOM 1262 N PRO A 87 12.335 22.360 -9.235 1.00 0.00 N ATOM 1263 CA PRO A 87 11.477 23.410 -8.656 1.00 0.00 C ATOM 1264 C PRO A 87 9.959 23.131 -8.479 1.00 0.00 C ATOM 1265 O PRO A 87 9.386 23.726 -7.559 1.00 0.00 O ATOM 1266 CB PRO A 87 11.683 24.636 -9.555 1.00 0.00 C ATOM 1267 CG PRO A 87 13.096 24.448 -10.092 1.00 0.00 C ATOM 1268 CD PRO A 87 13.185 22.934 -10.277 1.00 0.00 C ATOM 0 HA PRO A 87 11.790 23.521 -7.618 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.949 24.672 -10.360 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.587 25.566 -8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.247 24.980 -11.031 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.847 24.816 -9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.842 22.639 -11.269 1.00 0.00 H new ATOM 0 HD3 PRO A 87 14.214 22.587 -10.179 1.00 0.00 H new ATOM 1276 N PRO A 88 9.266 22.302 -9.303 1.00 0.00 N ATOM 1277 CA PRO A 88 7.808 22.112 -9.193 1.00 0.00 C ATOM 1278 C PRO A 88 7.359 21.187 -8.038 1.00 0.00 C ATOM 1279 O PRO A 88 8.101 20.890 -7.105 1.00 0.00 O ATOM 1280 CB PRO A 88 7.358 21.576 -10.567 1.00 0.00 C ATOM 1281 CG PRO A 88 8.535 21.785 -11.505 1.00 0.00 C ATOM 1282 CD PRO A 88 9.725 21.727 -10.563 1.00 0.00 C ATOM 0 HA PRO A 88 7.336 23.061 -8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.091 20.521 -10.506 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.476 22.108 -10.923 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.586 21.010 -12.270 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.475 22.742 -12.024 1.00 0.00 H new ATOM 0 HD2 PRO A 88 10.063 20.700 -10.424 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.569 22.289 -10.964 1.00 0.00 H new ATOM 1290 N GLU A 89 6.133 20.653 -8.133 1.00 0.00 N ATOM 1291 CA GLU A 89 5.549 19.658 -7.208 1.00 0.00 C ATOM 1292 C GLU A 89 6.366 18.356 -7.040 1.00 0.00 C ATOM 1293 O GLU A 89 6.129 17.570 -6.125 1.00 0.00 O ATOM 1294 CB GLU A 89 4.096 19.357 -7.625 1.00 0.00 C ATOM 1295 CG GLU A 89 3.941 18.919 -9.089 1.00 0.00 C ATOM 1296 CD GLU A 89 2.473 18.571 -9.412 1.00 0.00 C ATOM 1297 OE1 GLU A 89 1.649 19.507 -9.574 1.00 0.00 O ATOM 1298 OE2 GLU A 89 2.137 17.366 -9.520 1.00 0.00 O ATOM 0 H GLU A 89 5.492 20.909 -8.884 1.00 0.00 H new ATOM 0 HA GLU A 89 5.573 20.116 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.699 18.574 -6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.490 20.247 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.283 19.717 -9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.574 18.053 -9.282 1.00 0.00 H new ATOM 1305 N TRP A 90 7.393 18.144 -7.862 1.00 0.00 N ATOM 1306 CA TRP A 90 8.359 17.044 -7.758 1.00 0.00 C ATOM 1307 C TRP A 90 9.181 17.019 -6.454 1.00 0.00 C ATOM 1308 O TRP A 90 9.748 15.979 -6.123 1.00 0.00 O ATOM 1309 CB TRP A 90 9.247 17.087 -8.999 1.00 0.00 C ATOM 1310 CG TRP A 90 8.498 16.649 -10.219 1.00 0.00 C ATOM 1311 CD1 TRP A 90 7.809 17.433 -11.078 1.00 0.00 C ATOM 1312 CD2 TRP A 90 8.307 15.286 -10.691 1.00 0.00 C ATOM 1313 NE1 TRP A 90 7.125 16.638 -11.979 1.00 0.00 N ATOM 1314 CE2 TRP A 90 7.407 15.303 -11.792 1.00 0.00 C ATOM 1315 CE3 TRP A 90 8.834 14.042 -10.305 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 7.036 14.136 -12.474 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 8.520 12.874 -11.019 1.00 0.00 C ATOM 1318 CH2 TRP A 90 7.626 12.916 -12.100 1.00 0.00 C ATOM 0 H TRP A 90 7.585 18.759 -8.653 1.00 0.00 H new ATOM 0 HA TRP A 90 7.799 16.110 -7.711 1.00 0.00 H new ATOM 0 HB2 TRP A 90 9.623 18.100 -9.145 1.00 0.00 H new ATOM 0 HB3 TRP A 90 10.114 16.443 -8.851 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.795 18.513 -11.063 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.491 16.996 -12.693 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.489 13.983 -9.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.310 14.173 -13.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 8.971 11.935 -10.734 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.392 12.013 -12.644 1.00 0.00 H new ATOM 1329 N VAL A 91 9.199 18.117 -5.687 1.00 0.00 N ATOM 1330 CA VAL A 91 9.841 18.205 -4.356 1.00 0.00 C ATOM 1331 C VAL A 91 8.854 18.489 -3.212 1.00 0.00 C ATOM 1332 O VAL A 91 9.271 18.586 -2.057 1.00 0.00 O ATOM 1333 CB VAL A 91 11.026 19.196 -4.343 1.00 0.00 C ATOM 1334 CG1 VAL A 91 12.118 18.764 -5.324 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.604 20.641 -4.632 1.00 0.00 C ATOM 0 H VAL A 91 8.760 18.991 -5.975 1.00 0.00 H new ATOM 0 HA VAL A 91 10.242 17.209 -4.166 1.00 0.00 H new ATOM 0 HB VAL A 91 11.424 19.173 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.939 19.480 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.487 17.777 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.707 18.727 -6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.481 21.288 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.140 20.694 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.891 20.970 -3.876 1.00 0.00 H new ATOM 1345 N THR A 92 7.547 18.582 -3.494 1.00 0.00 N ATOM 1346 CA THR A 92 6.486 18.813 -2.486 1.00 0.00 C ATOM 1347 C THR A 92 5.822 17.514 -1.994 1.00 0.00 C ATOM 1348 O THR A 92 4.886 17.554 -1.191 1.00 0.00 O ATOM 1349 CB THR A 92 5.424 19.810 -2.986 1.00 0.00 C ATOM 1350 OG1 THR A 92 4.688 19.241 -4.045 1.00 0.00 O ATOM 1351 CG2 THR A 92 6.032 21.116 -3.500 1.00 0.00 C ATOM 0 H THR A 92 7.184 18.498 -4.444 1.00 0.00 H new ATOM 0 HA THR A 92 6.993 19.254 -1.628 1.00 0.00 H new ATOM 0 HB THR A 92 4.789 20.032 -2.128 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.286 18.710 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.236 21.779 -3.839 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.589 21.599 -2.697 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.704 20.902 -4.331 1.00 0.00 H new ATOM 1359 N GLN A 93 6.309 16.354 -2.458 1.00 0.00 N ATOM 1360 CA GLN A 93 5.833 15.026 -2.056 1.00 0.00 C ATOM 1361 C GLN A 93 6.322 14.639 -0.644 1.00 0.00 C ATOM 1362 O GLN A 93 7.045 15.398 0.007 1.00 0.00 O ATOM 1363 CB GLN A 93 6.209 13.986 -3.132 1.00 0.00 C ATOM 1364 CG GLN A 93 5.743 14.377 -4.548 1.00 0.00 C ATOM 1365 CD GLN A 93 4.280 14.835 -4.591 1.00 0.00 C ATOM 1366 OE1 GLN A 93 3.370 14.199 -4.071 1.00 0.00 O ATOM 1367 NE2 GLN A 93 4.005 15.998 -5.146 1.00 0.00 N ATOM 0 H GLN A 93 7.065 16.315 -3.142 1.00 0.00 H new ATOM 0 HA GLN A 93 4.745 15.050 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.291 13.854 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.771 13.024 -2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.380 15.177 -4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.871 13.525 -5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.748 16.543 -5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.049 16.354 -5.138 1.00 0.00 H new ATOM 1376 N GLU A 94 5.919 13.463 -0.148 1.00 0.00 N ATOM 1377 CA GLU A 94 6.138 13.079 1.260 1.00 0.00 C ATOM 1378 C GLU A 94 7.630 12.920 1.612 1.00 0.00 C ATOM 1379 O GLU A 94 8.051 13.341 2.694 1.00 0.00 O ATOM 1380 CB GLU A 94 5.311 11.829 1.611 1.00 0.00 C ATOM 1381 CG GLU A 94 5.486 11.410 3.071 1.00 0.00 C ATOM 1382 CD GLU A 94 4.492 10.301 3.458 1.00 0.00 C ATOM 1383 OE1 GLU A 94 3.364 10.613 3.912 1.00 0.00 O ATOM 1384 OE2 GLU A 94 4.842 9.103 3.338 1.00 0.00 O ATOM 0 H GLU A 94 5.437 12.754 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 94 5.784 13.900 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.257 12.027 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.607 11.006 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.506 11.059 3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.341 12.274 3.719 1.00 0.00 H new ATOM 1391 N ILE A 95 8.438 12.386 0.684 1.00 0.00 N ATOM 1392 CA ILE A 95 9.907 12.369 0.797 1.00 0.00 C ATOM 1393 C ILE A 95 10.550 12.735 -0.549 1.00 0.00 C ATOM 1394 O ILE A 95 10.136 12.247 -1.602 1.00 0.00 O ATOM 1395 CB ILE A 95 10.439 11.001 1.311 1.00 0.00 C ATOM 1396 CG1 ILE A 95 9.700 10.491 2.571 1.00 0.00 C ATOM 1397 CG2 ILE A 95 11.957 11.076 1.573 1.00 0.00 C ATOM 1398 CD1 ILE A 95 10.200 9.139 3.104 1.00 0.00 C ATOM 0 H ILE A 95 8.091 11.951 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 95 10.188 13.118 1.537 1.00 0.00 H new ATOM 0 HB ILE A 95 10.240 10.277 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.798 11.236 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.637 10.406 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.312 10.110 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.474 11.332 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 95 12.159 11.839 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.625 8.861 3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.076 8.376 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.254 9.219 3.368 1.00 0.00 H new ATOM 1410 N PHE A 96 11.592 13.569 -0.504 1.00 0.00 N ATOM 1411 CA PHE A 96 12.480 13.854 -1.633 1.00 0.00 C ATOM 1412 C PHE A 96 13.946 13.652 -1.204 1.00 0.00 C ATOM 1413 O PHE A 96 14.355 14.151 -0.152 1.00 0.00 O ATOM 1414 CB PHE A 96 12.229 15.244 -2.236 1.00 0.00 C ATOM 1415 CG PHE A 96 13.231 15.596 -3.326 1.00 0.00 C ATOM 1416 CD1 PHE A 96 13.046 15.147 -4.650 1.00 0.00 C ATOM 1417 CD2 PHE A 96 14.400 16.310 -2.995 1.00 0.00 C ATOM 1418 CE1 PHE A 96 14.041 15.376 -5.617 1.00 0.00 C ATOM 1419 CE2 PHE A 96 15.383 16.559 -3.970 1.00 0.00 C ATOM 1420 CZ PHE A 96 15.208 16.084 -5.280 1.00 0.00 C ATOM 0 H PHE A 96 11.848 14.078 0.342 1.00 0.00 H new ATOM 0 HA PHE A 96 12.259 13.148 -2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.221 15.281 -2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.278 15.993 -1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 96 12.139 14.627 -4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 96 14.542 16.668 -1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.908 15.006 -6.623 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.272 17.115 -3.711 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.968 16.262 -6.027 1.00 0.00 H new ATOM 1430 N GLU A 97 14.736 12.924 -2.004 1.00 0.00 N ATOM 1431 CA GLU A 97 16.175 12.705 -1.777 1.00 0.00 C ATOM 1432 C GLU A 97 16.996 12.923 -3.062 1.00 0.00 C ATOM 1433 O GLU A 97 16.486 12.751 -4.169 1.00 0.00 O ATOM 1434 CB GLU A 97 16.449 11.295 -1.219 1.00 0.00 C ATOM 1435 CG GLU A 97 15.768 11.006 0.131 1.00 0.00 C ATOM 1436 CD GLU A 97 16.186 9.663 0.773 1.00 0.00 C ATOM 1437 OE1 GLU A 97 17.163 9.020 0.318 1.00 0.00 O ATOM 1438 OE2 GLU A 97 15.541 9.252 1.771 1.00 0.00 O ATOM 0 H GLU A 97 14.389 12.461 -2.844 1.00 0.00 H new ATOM 0 HA GLU A 97 16.489 13.442 -1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.114 10.557 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.525 11.164 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 97 16.000 11.815 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.687 11.008 -0.011 1.00 0.00 H new ATOM 1445 N ASP A 98 18.281 13.263 -2.915 1.00 0.00 N ATOM 1446 CA ASP A 98 19.227 13.461 -4.021 1.00 0.00 C ATOM 1447 C ASP A 98 20.473 12.576 -3.840 1.00 0.00 C ATOM 1448 O ASP A 98 21.318 12.837 -2.978 1.00 0.00 O ATOM 1449 CB ASP A 98 19.574 14.953 -4.124 1.00 0.00 C ATOM 1450 CG ASP A 98 20.684 15.248 -5.150 1.00 0.00 C ATOM 1451 OD1 ASP A 98 20.834 14.490 -6.135 1.00 0.00 O ATOM 1452 OD2 ASP A 98 21.405 16.259 -4.965 1.00 0.00 O ATOM 0 H ASP A 98 18.704 13.412 -1.999 1.00 0.00 H new ATOM 0 HA ASP A 98 18.769 13.154 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 98 18.678 15.510 -4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 98 19.888 15.315 -3.145 1.00 0.00 H new ATOM 1457 N TRP A 99 20.575 11.512 -4.641 1.00 0.00 N ATOM 1458 CA TRP A 99 21.657 10.524 -4.612 1.00 0.00 C ATOM 1459 C TRP A 99 22.694 10.847 -5.698 1.00 0.00 C ATOM 1460 O TRP A 99 22.596 10.383 -6.837 1.00 0.00 O ATOM 1461 CB TRP A 99 21.067 9.108 -4.762 1.00 0.00 C ATOM 1462 CG TRP A 99 19.969 8.674 -3.827 1.00 0.00 C ATOM 1463 CD1 TRP A 99 19.613 9.245 -2.651 1.00 0.00 C ATOM 1464 CD2 TRP A 99 19.057 7.546 -4.003 1.00 0.00 C ATOM 1465 NE1 TRP A 99 18.531 8.572 -2.111 1.00 0.00 N ATOM 1466 CE2 TRP A 99 18.144 7.518 -2.907 1.00 0.00 C ATOM 1467 CE3 TRP A 99 18.919 6.531 -4.975 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.141 6.545 -2.786 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 17.905 5.555 -4.875 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.014 5.563 -3.784 1.00 0.00 C ATOM 0 H TRP A 99 19.878 11.307 -5.357 1.00 0.00 H new ATOM 0 HA TRP A 99 22.175 10.564 -3.654 1.00 0.00 H new ATOM 0 HB2 TRP A 99 20.689 9.015 -5.780 1.00 0.00 H new ATOM 0 HB3 TRP A 99 21.887 8.397 -4.660 1.00 0.00 H new ATOM 0 HD1 TRP A 99 20.101 10.098 -2.202 1.00 0.00 H new ATOM 0 HE1 TRP A 99 18.077 8.825 -1.233 1.00 0.00 H new ATOM 0 HE3 TRP A 99 19.602 6.501 -5.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 16.474 6.550 -1.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.811 4.798 -5.639 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.236 4.817 -3.714 1.00 0.00 H new ATOM 1481 N GLN A 100 23.697 11.665 -5.363 1.00 0.00 N ATOM 1482 CA GLN A 100 24.727 12.094 -6.317 1.00 0.00 C ATOM 1483 C GLN A 100 25.785 10.987 -6.513 1.00 0.00 C ATOM 1484 O GLN A 100 26.617 10.748 -5.634 1.00 0.00 O ATOM 1485 CB GLN A 100 25.352 13.425 -5.857 1.00 0.00 C ATOM 1486 CG GLN A 100 24.319 14.571 -5.789 1.00 0.00 C ATOM 1487 CD GLN A 100 24.927 15.951 -5.530 1.00 0.00 C ATOM 1488 OE1 GLN A 100 26.128 16.178 -5.587 1.00 0.00 O ATOM 1489 NE2 GLN A 100 24.104 16.938 -5.256 1.00 0.00 N ATOM 0 H GLN A 100 23.818 12.048 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 100 24.266 12.266 -7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 100 25.805 13.290 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 100 26.153 13.702 -6.542 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.765 14.601 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.600 14.350 -5.001 1.00 0.00 H new ATOM 0 HE21 GLN A 100 23.100 16.766 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.469 17.877 -5.095 1.00 0.00 H new ATOM 1498 N LEU A 101 25.742 10.311 -7.670 1.00 0.00 N ATOM 1499 CA LEU A 101 26.624 9.189 -8.044 1.00 0.00 C ATOM 1500 C LEU A 101 27.509 9.534 -9.255 1.00 0.00 C ATOM 1501 O LEU A 101 27.316 10.550 -9.924 1.00 0.00 O ATOM 1502 CB LEU A 101 25.771 7.926 -8.307 1.00 0.00 C ATOM 1503 CG LEU A 101 24.870 7.445 -7.152 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.231 6.114 -7.537 1.00 0.00 C ATOM 1505 CD2 LEU A 101 25.625 7.225 -5.849 1.00 0.00 C ATOM 0 H LEU A 101 25.067 10.537 -8.401 1.00 0.00 H new ATOM 0 HA LEU A 101 27.302 8.991 -7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.139 8.117 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.443 7.111 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 101 24.132 8.231 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 101 23.592 5.768 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.632 6.245 -8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.011 5.376 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 101 24.931 6.887 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 101 26.397 6.470 -5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 101 26.089 8.160 -5.535 1.00 0.00 H new ATOM 1517 N GLU A 102 28.461 8.654 -9.562 1.00 0.00 N ATOM 1518 CA GLU A 102 29.309 8.676 -10.752 1.00 0.00 C ATOM 1519 C GLU A 102 28.474 8.558 -12.041 1.00 0.00 C ATOM 1520 O GLU A 102 27.276 8.273 -12.022 1.00 0.00 O ATOM 1521 CB GLU A 102 30.333 7.525 -10.651 1.00 0.00 C ATOM 1522 CG GLU A 102 31.352 7.636 -9.506 1.00 0.00 C ATOM 1523 CD GLU A 102 30.770 7.418 -8.087 1.00 0.00 C ATOM 1524 OE1 GLU A 102 29.763 6.683 -7.925 1.00 0.00 O ATOM 1525 OE2 GLU A 102 31.336 7.988 -7.122 1.00 0.00 O ATOM 0 H GLU A 102 28.673 7.863 -8.953 1.00 0.00 H new ATOM 0 HA GLU A 102 29.833 9.631 -10.801 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.788 6.588 -10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.878 7.465 -11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.144 6.906 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.814 8.623 -9.545 1.00 0.00 H new ATOM 1532 N ASP A 103 29.088 8.824 -13.189 1.00 0.00 N ATOM 1533 CA ASP A 103 28.452 8.816 -14.521 1.00 0.00 C ATOM 1534 C ASP A 103 29.110 7.738 -15.414 1.00 0.00 C ATOM 1535 O ASP A 103 30.181 7.998 -15.970 1.00 0.00 O ATOM 1536 CB ASP A 103 28.524 10.237 -15.110 1.00 0.00 C ATOM 1537 CG ASP A 103 27.542 10.449 -16.278 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.306 9.505 -17.068 1.00 0.00 O ATOM 1539 OD2 ASP A 103 26.988 11.571 -16.387 1.00 0.00 O ATOM 0 H ASP A 103 30.079 9.061 -13.229 1.00 0.00 H new ATOM 0 HA ASP A 103 27.398 8.546 -14.454 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.310 10.962 -14.325 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.539 10.431 -15.455 1.00 0.00 H new ATOM 1544 N PRO A 104 28.532 6.517 -15.521 1.00 0.00 N ATOM 1545 CA PRO A 104 29.180 5.357 -16.157 1.00 0.00 C ATOM 1546 C PRO A 104 29.359 5.377 -17.682 1.00 0.00 C ATOM 1547 O PRO A 104 30.121 4.562 -18.201 1.00 0.00 O ATOM 1548 CB PRO A 104 28.337 4.145 -15.755 1.00 0.00 C ATOM 1549 CG PRO A 104 27.673 4.574 -14.460 1.00 0.00 C ATOM 1550 CD PRO A 104 27.383 6.042 -14.759 1.00 0.00 C ATOM 0 HA PRO A 104 30.211 5.347 -15.805 1.00 0.00 H new ATOM 0 HB2 PRO A 104 27.600 3.900 -16.520 1.00 0.00 H new ATOM 0 HB3 PRO A 104 28.955 3.258 -15.612 1.00 0.00 H new ATOM 0 HG2 PRO A 104 26.765 4.007 -14.254 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.329 4.450 -13.598 1.00 0.00 H new ATOM 0 HD2 PRO A 104 26.461 6.152 -15.330 1.00 0.00 H new ATOM 0 HD3 PRO A 104 27.259 6.613 -13.839 1.00 0.00 H new ATOM 1558 N ASP A 105 28.682 6.263 -18.416 1.00 0.00 N ATOM 1559 CA ASP A 105 28.716 6.271 -19.885 1.00 0.00 C ATOM 1560 C ASP A 105 30.147 6.469 -20.432 1.00 0.00 C ATOM 1561 O ASP A 105 30.757 7.530 -20.264 1.00 0.00 O ATOM 1562 CB ASP A 105 27.762 7.342 -20.427 1.00 0.00 C ATOM 1563 CG ASP A 105 27.857 7.481 -21.957 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.991 6.446 -22.655 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.795 8.624 -22.470 1.00 0.00 O ATOM 0 H ASP A 105 28.096 6.994 -18.013 1.00 0.00 H new ATOM 0 HA ASP A 105 28.382 5.294 -20.233 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.739 7.089 -20.149 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.991 8.300 -19.961 1.00 0.00 H new ATOM 1570 N GLY A 106 30.680 5.433 -21.093 1.00 0.00 N ATOM 1571 CA GLY A 106 32.026 5.438 -21.679 1.00 0.00 C ATOM 1572 C GLY A 106 33.160 5.226 -20.663 1.00 0.00 C ATOM 1573 O GLY A 106 34.319 5.484 -20.992 1.00 0.00 O ATOM 0 H GLY A 106 30.181 4.555 -21.238 1.00 0.00 H new ATOM 0 HA2 GLY A 106 32.082 4.657 -22.437 1.00 0.00 H new ATOM 0 HA3 GLY A 106 32.184 6.388 -22.189 1.00 0.00 H new ATOM 1577 N GLN A 107 32.839 4.778 -19.442 1.00 0.00 N ATOM 1578 CA GLN A 107 33.813 4.556 -18.365 1.00 0.00 C ATOM 1579 C GLN A 107 34.375 3.120 -18.402 1.00 0.00 C ATOM 1580 O GLN A 107 35.259 2.809 -19.202 1.00 0.00 O ATOM 1581 CB GLN A 107 33.213 4.925 -16.992 1.00 0.00 C ATOM 1582 CG GLN A 107 32.608 6.326 -16.864 1.00 0.00 C ATOM 1583 CD GLN A 107 33.579 7.497 -16.791 1.00 0.00 C ATOM 1584 OE1 GLN A 107 34.779 7.404 -17.018 1.00 0.00 O ATOM 1585 NE2 GLN A 107 33.067 8.659 -16.442 1.00 0.00 N ATOM 0 H GLN A 107 31.881 4.556 -19.171 1.00 0.00 H new ATOM 0 HA GLN A 107 34.660 5.222 -18.528 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.439 4.196 -16.751 1.00 0.00 H new ATOM 0 HB3 GLN A 107 33.994 4.821 -16.239 1.00 0.00 H new ATOM 0 HG2 GLN A 107 31.946 6.488 -17.715 1.00 0.00 H new ATOM 0 HG3 GLN A 107 31.987 6.346 -15.969 1.00 0.00 H new ATOM 0 HE21 GLN A 107 32.068 8.740 -16.252 1.00 0.00 H new ATOM 0 HE22 GLN A 107 33.669 9.478 -16.361 1.00 0.00 H new ATOM 1594 N SER A 108 33.858 2.243 -17.533 1.00 0.00 N ATOM 1595 CA SER A 108 34.232 0.829 -17.394 1.00 0.00 C ATOM 1596 C SER A 108 33.152 0.077 -16.626 1.00 0.00 C ATOM 1597 O SER A 108 32.325 0.676 -15.932 1.00 0.00 O ATOM 1598 CB SER A 108 35.573 0.699 -16.651 1.00 0.00 C ATOM 1599 OG SER A 108 35.425 0.980 -15.266 1.00 0.00 O ATOM 0 H SER A 108 33.129 2.514 -16.873 1.00 0.00 H new ATOM 0 HA SER A 108 34.334 0.400 -18.391 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.966 -0.309 -16.780 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.301 1.383 -17.087 1.00 0.00 H new ATOM 0 HG SER A 108 36.292 0.888 -14.819 1.00 0.00 H new ATOM 1605 N LEU A 109 33.186 -1.252 -16.704 1.00 0.00 N ATOM 1606 CA LEU A 109 32.209 -2.109 -16.036 1.00 0.00 C ATOM 1607 C LEU A 109 32.361 -2.051 -14.514 1.00 0.00 C ATOM 1608 O LEU A 109 31.377 -2.132 -13.792 1.00 0.00 O ATOM 1609 CB LEU A 109 32.322 -3.541 -16.593 1.00 0.00 C ATOM 1610 CG LEU A 109 32.127 -3.712 -18.117 1.00 0.00 C ATOM 1611 CD1 LEU A 109 30.983 -2.860 -18.663 1.00 0.00 C ATOM 1612 CD2 LEU A 109 33.380 -3.446 -18.957 1.00 0.00 C ATOM 0 H LEU A 109 33.892 -1.765 -17.232 1.00 0.00 H new ATOM 0 HA LEU A 109 31.203 -1.744 -16.246 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.305 -3.931 -16.330 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.586 -4.163 -16.084 1.00 0.00 H new ATOM 0 HG LEU A 109 31.882 -4.769 -18.217 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.891 -3.019 -19.737 1.00 0.00 H new ATOM 0 HD12 LEU A 109 30.052 -3.144 -18.173 1.00 0.00 H new ATOM 0 HD13 LEU A 109 31.188 -1.807 -18.469 1.00 0.00 H new ATOM 0 HD21 LEU A 109 33.148 -3.590 -20.012 1.00 0.00 H new ATOM 0 HD22 LEU A 109 33.715 -2.421 -18.796 1.00 0.00 H new ATOM 0 HD23 LEU A 109 34.170 -4.137 -18.662 1.00 0.00 H new ATOM 1624 N GLU A 110 33.570 -1.784 -14.020 1.00 0.00 N ATOM 1625 CA GLU A 110 33.825 -1.511 -12.598 1.00 0.00 C ATOM 1626 C GLU A 110 33.163 -0.201 -12.142 1.00 0.00 C ATOM 1627 O GLU A 110 32.593 -0.146 -11.051 1.00 0.00 O ATOM 1628 CB GLU A 110 35.341 -1.503 -12.350 1.00 0.00 C ATOM 1629 CG GLU A 110 35.695 -1.370 -10.864 1.00 0.00 C ATOM 1630 CD GLU A 110 37.216 -1.499 -10.652 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.937 -0.473 -10.722 1.00 0.00 O ATOM 1632 OE2 GLU A 110 37.705 -2.629 -10.405 1.00 0.00 O ATOM 0 H GLU A 110 34.410 -1.750 -14.597 1.00 0.00 H new ATOM 0 HA GLU A 110 33.374 -2.302 -11.999 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.774 -2.423 -12.742 1.00 0.00 H new ATOM 0 HB3 GLU A 110 35.791 -0.678 -12.902 1.00 0.00 H new ATOM 0 HG2 GLU A 110 35.351 -0.406 -10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.177 -2.139 -10.291 1.00 0.00 H new ATOM 1639 N VAL A 111 33.142 0.837 -12.985 1.00 0.00 N ATOM 1640 CA VAL A 111 32.428 2.095 -12.688 1.00 0.00 C ATOM 1641 C VAL A 111 30.908 1.910 -12.768 1.00 0.00 C ATOM 1642 O VAL A 111 30.195 2.416 -11.902 1.00 0.00 O ATOM 1643 CB VAL A 111 32.948 3.233 -13.584 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.119 4.513 -13.446 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.395 3.584 -13.213 1.00 0.00 C ATOM 0 H VAL A 111 33.615 0.835 -13.889 1.00 0.00 H new ATOM 0 HA VAL A 111 32.638 2.382 -11.658 1.00 0.00 H new ATOM 0 HB VAL A 111 32.877 2.868 -14.609 1.00 0.00 H new ATOM 0 HG11 VAL A 111 32.528 5.284 -14.099 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.086 4.310 -13.728 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.152 4.858 -12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.750 4.390 -13.855 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.436 3.904 -12.172 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.028 2.707 -13.348 1.00 0.00 H new ATOM 1655 N PHE A 112 30.392 1.111 -13.713 1.00 0.00 N ATOM 1656 CA PHE A 112 28.973 0.720 -13.711 1.00 0.00 C ATOM 1657 C PHE A 112 28.607 -0.052 -12.439 1.00 0.00 C ATOM 1658 O PHE A 112 27.633 0.297 -11.782 1.00 0.00 O ATOM 1659 CB PHE A 112 28.632 -0.124 -14.946 1.00 0.00 C ATOM 1660 CG PHE A 112 28.192 0.644 -16.174 1.00 0.00 C ATOM 1661 CD1 PHE A 112 26.835 0.981 -16.333 1.00 0.00 C ATOM 1662 CD2 PHE A 112 29.121 1.010 -17.162 1.00 0.00 C ATOM 1663 CE1 PHE A 112 26.409 1.696 -17.465 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.700 1.739 -18.288 1.00 0.00 C ATOM 1665 CZ PHE A 112 27.349 2.093 -18.428 1.00 0.00 C ATOM 0 H PHE A 112 30.933 0.724 -14.486 1.00 0.00 H new ATOM 0 HA PHE A 112 28.387 1.639 -13.739 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.507 -0.719 -15.208 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.841 -0.823 -14.676 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.117 0.688 -15.581 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.159 0.731 -17.057 1.00 0.00 H new ATOM 0 HE1 PHE A 112 25.364 1.939 -17.593 1.00 0.00 H new ATOM 0 HE2 PHE A 112 29.415 2.026 -19.044 1.00 0.00 H new ATOM 0 HZ PHE A 112 27.031 2.674 -19.281 1.00 0.00 H new ATOM 1675 N ARG A 113 29.408 -1.046 -12.040 1.00 0.00 N ATOM 1676 CA ARG A 113 29.226 -1.823 -10.792 1.00 0.00 C ATOM 1677 C ARG A 113 29.294 -0.932 -9.544 1.00 0.00 C ATOM 1678 O ARG A 113 28.477 -1.080 -8.638 1.00 0.00 O ATOM 1679 CB ARG A 113 30.276 -2.953 -10.747 1.00 0.00 C ATOM 1680 CG ARG A 113 29.944 -4.070 -11.754 1.00 0.00 C ATOM 1681 CD ARG A 113 31.130 -4.986 -12.080 1.00 0.00 C ATOM 1682 NE ARG A 113 31.624 -5.710 -10.890 1.00 0.00 N ATOM 1683 CZ ARG A 113 31.361 -6.956 -10.536 1.00 0.00 C ATOM 1684 NH1 ARG A 113 30.497 -7.700 -11.167 1.00 0.00 N ATOM 1685 NH2 ARG A 113 31.971 -7.486 -9.515 1.00 0.00 N ATOM 0 H ARG A 113 30.219 -1.345 -12.581 1.00 0.00 H new ATOM 0 HA ARG A 113 28.228 -2.262 -10.792 1.00 0.00 H new ATOM 0 HB2 ARG A 113 31.262 -2.544 -10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 113 30.321 -3.370 -9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 113 29.129 -4.675 -11.355 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.583 -3.617 -12.677 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.831 -5.706 -12.842 1.00 0.00 H new ATOM 0 HD3 ARG A 113 31.940 -4.391 -12.503 1.00 0.00 H new ATOM 0 HE ARG A 113 32.241 -5.186 -10.269 1.00 0.00 H new ATOM 0 HH11 ARG A 113 29.992 -7.325 -11.970 1.00 0.00 H new ATOM 0 HH12 ARG A 113 30.326 -8.657 -10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 113 32.652 -6.940 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 113 31.768 -8.448 -9.242 1.00 0.00 H new ATOM 1699 N THR A 114 30.180 0.065 -9.547 1.00 0.00 N ATOM 1700 CA THR A 114 30.298 1.082 -8.484 1.00 0.00 C ATOM 1701 C THR A 114 29.018 1.909 -8.347 1.00 0.00 C ATOM 1702 O THR A 114 28.530 2.107 -7.235 1.00 0.00 O ATOM 1703 CB THR A 114 31.513 1.994 -8.743 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.706 1.248 -8.633 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.621 3.159 -7.760 1.00 0.00 C ATOM 0 H THR A 114 30.853 0.197 -10.302 1.00 0.00 H new ATOM 0 HA THR A 114 30.449 0.558 -7.540 1.00 0.00 H new ATOM 0 HB THR A 114 31.369 2.397 -9.745 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.815 0.687 -9.429 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.498 3.759 -8.002 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.727 3.779 -7.831 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.715 2.772 -6.745 1.00 0.00 H new ATOM 1713 N VAL A 115 28.412 2.351 -9.454 1.00 0.00 N ATOM 1714 CA VAL A 115 27.100 3.033 -9.426 1.00 0.00 C ATOM 1715 C VAL A 115 25.989 2.072 -9.011 1.00 0.00 C ATOM 1716 O VAL A 115 25.234 2.385 -8.096 1.00 0.00 O ATOM 1717 CB VAL A 115 26.820 3.723 -10.776 1.00 0.00 C ATOM 1718 CG1 VAL A 115 25.373 4.208 -10.946 1.00 0.00 C ATOM 1719 CG2 VAL A 115 27.734 4.942 -10.887 1.00 0.00 C ATOM 0 H VAL A 115 28.807 2.251 -10.389 1.00 0.00 H new ATOM 0 HA VAL A 115 27.127 3.816 -8.668 1.00 0.00 H new ATOM 0 HB VAL A 115 27.002 2.978 -11.550 1.00 0.00 H new ATOM 0 HG11 VAL A 115 25.260 4.681 -11.921 1.00 0.00 H new ATOM 0 HG12 VAL A 115 24.694 3.359 -10.874 1.00 0.00 H new ATOM 0 HG13 VAL A 115 25.137 4.929 -10.163 1.00 0.00 H new ATOM 0 HG21 VAL A 115 27.553 5.447 -11.836 1.00 0.00 H new ATOM 0 HG22 VAL A 115 27.527 5.628 -10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 115 28.775 4.622 -10.839 1.00 0.00 H new ATOM 1729 N ARG A 116 25.927 0.880 -9.613 1.00 0.00 N ATOM 1730 CA ARG A 116 24.899 -0.151 -9.363 1.00 0.00 C ATOM 1731 C ARG A 116 24.773 -0.500 -7.878 1.00 0.00 C ATOM 1732 O ARG A 116 23.668 -0.497 -7.353 1.00 0.00 O ATOM 1733 CB ARG A 116 25.239 -1.386 -10.233 1.00 0.00 C ATOM 1734 CG ARG A 116 24.112 -2.427 -10.240 1.00 0.00 C ATOM 1735 CD ARG A 116 24.537 -3.756 -10.865 1.00 0.00 C ATOM 1736 NE ARG A 116 25.504 -4.475 -9.998 1.00 0.00 N ATOM 1737 CZ ARG A 116 26.442 -5.321 -10.386 1.00 0.00 C ATOM 1738 NH1 ARG A 116 26.532 -5.699 -11.621 1.00 0.00 N ATOM 1739 NH2 ARG A 116 27.309 -5.795 -9.547 1.00 0.00 N ATOM 0 H ARG A 116 26.611 0.591 -10.312 1.00 0.00 H new ATOM 0 HA ARG A 116 23.919 0.234 -9.644 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.438 -1.063 -11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.154 -1.848 -9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.779 -2.602 -9.217 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.259 -2.029 -10.789 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.659 -4.380 -11.029 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.986 -3.574 -11.841 1.00 0.00 H new ATOM 0 HE ARG A 116 25.437 -4.297 -8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 116 25.872 -5.343 -12.313 1.00 0.00 H new ATOM 0 HH12 ARG A 116 27.263 -6.353 -11.902 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.275 -5.516 -8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 116 28.025 -6.447 -9.867 1.00 0.00 H new ATOM 1753 N GLY A 117 25.894 -0.735 -7.194 1.00 0.00 N ATOM 1754 CA GLY A 117 25.926 -1.065 -5.760 1.00 0.00 C ATOM 1755 C GLY A 117 25.372 0.057 -4.874 1.00 0.00 C ATOM 1756 O GLY A 117 24.590 -0.202 -3.961 1.00 0.00 O ATOM 0 H GLY A 117 26.819 -0.702 -7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.349 -1.974 -5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 117 26.953 -1.280 -5.465 1.00 0.00 H new ATOM 1760 N GLN A 118 25.688 1.316 -5.196 1.00 0.00 N ATOM 1761 CA GLN A 118 25.156 2.482 -4.474 1.00 0.00 C ATOM 1762 C GLN A 118 23.653 2.666 -4.745 1.00 0.00 C ATOM 1763 O GLN A 118 22.883 2.780 -3.798 1.00 0.00 O ATOM 1764 CB GLN A 118 25.963 3.744 -4.829 1.00 0.00 C ATOM 1765 CG GLN A 118 27.423 3.684 -4.347 1.00 0.00 C ATOM 1766 CD GLN A 118 28.245 4.845 -4.910 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.466 5.861 -4.265 1.00 0.00 O ATOM 1768 NE2 GLN A 118 28.692 4.739 -6.144 1.00 0.00 N ATOM 0 H GLN A 118 26.317 1.557 -5.961 1.00 0.00 H new ATOM 0 HA GLN A 118 25.265 2.307 -3.404 1.00 0.00 H new ATOM 0 HB2 GLN A 118 25.949 3.884 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.477 4.614 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.450 3.712 -3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.870 2.738 -4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.508 3.892 -6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.222 5.504 -6.562 1.00 0.00 H new ATOM 1777 N VAL A 119 23.203 2.603 -6.008 1.00 0.00 N ATOM 1778 CA VAL A 119 21.761 2.631 -6.360 1.00 0.00 C ATOM 1779 C VAL A 119 20.984 1.521 -5.632 1.00 0.00 C ATOM 1780 O VAL A 119 19.938 1.796 -5.044 1.00 0.00 O ATOM 1781 CB VAL A 119 21.538 2.529 -7.884 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.050 2.540 -8.235 1.00 0.00 C ATOM 1783 CG2 VAL A 119 22.152 3.710 -8.635 1.00 0.00 C ATOM 0 H VAL A 119 23.820 2.531 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 119 21.376 3.596 -6.029 1.00 0.00 H new ATOM 0 HB VAL A 119 22.011 1.592 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 119 19.931 2.467 -9.316 1.00 0.00 H new ATOM 0 HG12 VAL A 119 19.557 1.693 -7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 119 19.600 3.468 -7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 119 21.970 3.596 -9.704 1.00 0.00 H new ATOM 0 HG22 VAL A 119 21.698 4.638 -8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 119 23.226 3.740 -8.451 1.00 0.00 H new ATOM 1793 N LYS A 120 21.508 0.286 -5.623 1.00 0.00 N ATOM 1794 CA LYS A 120 20.907 -0.857 -4.918 1.00 0.00 C ATOM 1795 C LYS A 120 20.730 -0.555 -3.431 1.00 0.00 C ATOM 1796 O LYS A 120 19.611 -0.624 -2.931 1.00 0.00 O ATOM 1797 CB LYS A 120 21.770 -2.116 -5.123 1.00 0.00 C ATOM 1798 CG LYS A 120 21.119 -3.346 -4.478 1.00 0.00 C ATOM 1799 CD LYS A 120 22.002 -4.595 -4.594 1.00 0.00 C ATOM 1800 CE LYS A 120 21.217 -5.799 -4.056 1.00 0.00 C ATOM 1801 NZ LYS A 120 22.090 -6.996 -3.868 1.00 0.00 N ATOM 0 H LYS A 120 22.372 0.050 -6.111 1.00 0.00 H new ATOM 0 HA LYS A 120 19.917 -1.039 -5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 120 21.912 -2.293 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 120 22.759 -1.957 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 120 20.920 -3.140 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.157 -3.537 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 120 22.287 -4.762 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 120 22.924 -4.461 -4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.754 -5.535 -3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 120 20.410 -6.044 -4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.521 -7.787 -3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 22.512 -7.265 -4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 22.846 -6.771 -3.190 1.00 0.00 H new ATOM 1815 N GLU A 121 21.806 -0.186 -2.734 1.00 0.00 N ATOM 1816 CA GLU A 121 21.744 0.063 -1.289 1.00 0.00 C ATOM 1817 C GLU A 121 20.830 1.238 -0.964 1.00 0.00 C ATOM 1818 O GLU A 121 20.028 1.116 -0.044 1.00 0.00 O ATOM 1819 CB GLU A 121 23.156 0.152 -0.668 1.00 0.00 C ATOM 1820 CG GLU A 121 23.685 1.543 -0.283 1.00 0.00 C ATOM 1821 CD GLU A 121 23.120 2.061 1.055 1.00 0.00 C ATOM 1822 OE1 GLU A 121 23.361 1.434 2.114 1.00 0.00 O ATOM 1823 OE2 GLU A 121 22.468 3.131 1.056 1.00 0.00 O ATOM 0 H GLU A 121 22.730 -0.053 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 121 21.279 -0.797 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.168 -0.470 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.860 -0.290 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 121 24.773 1.506 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.435 2.251 -1.073 1.00 0.00 H new ATOM 1830 N ARG A 122 20.841 2.315 -1.762 1.00 0.00 N ATOM 1831 CA ARG A 122 19.945 3.453 -1.539 1.00 0.00 C ATOM 1832 C ARG A 122 18.483 3.028 -1.665 1.00 0.00 C ATOM 1833 O ARG A 122 17.696 3.339 -0.773 1.00 0.00 O ATOM 1834 CB ARG A 122 20.295 4.597 -2.506 1.00 0.00 C ATOM 1835 CG ARG A 122 21.651 5.300 -2.303 1.00 0.00 C ATOM 1836 CD ARG A 122 21.677 6.319 -1.156 1.00 0.00 C ATOM 1837 NE ARG A 122 21.749 5.662 0.160 1.00 0.00 N ATOM 1838 CZ ARG A 122 21.579 6.192 1.355 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.235 7.435 1.544 1.00 0.00 N ATOM 1840 NH2 ARG A 122 21.763 5.429 2.387 1.00 0.00 N ATOM 0 H ARG A 122 21.460 2.420 -2.566 1.00 0.00 H new ATOM 0 HA ARG A 122 20.084 3.819 -0.522 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.268 4.201 -3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.510 5.350 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.413 4.543 -2.117 1.00 0.00 H new ATOM 0 HG3 ARG A 122 21.925 5.807 -3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 122 22.534 6.982 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 122 20.783 6.941 -1.203 1.00 0.00 H new ATOM 0 HE ARG A 122 21.958 4.664 0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 122 21.084 8.050 0.744 1.00 0.00 H new ATOM 0 HH12 ARG A 122 21.117 7.793 2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 122 22.030 4.453 2.259 1.00 0.00 H new ATOM 0 HH22 ARG A 122 21.640 5.805 3.327 1.00 0.00 H new ATOM 1854 N VAL A 123 18.131 2.224 -2.669 1.00 0.00 N ATOM 1855 CA VAL A 123 16.798 1.610 -2.766 1.00 0.00 C ATOM 1856 C VAL A 123 16.478 0.688 -1.592 1.00 0.00 C ATOM 1857 O VAL A 123 15.420 0.859 -0.997 1.00 0.00 O ATOM 1858 CB VAL A 123 16.626 0.896 -4.122 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.457 -0.088 -4.136 1.00 0.00 C ATOM 1860 CG2 VAL A 123 16.414 1.932 -5.225 1.00 0.00 C ATOM 0 H VAL A 123 18.756 1.978 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 123 16.069 2.419 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 123 17.538 0.324 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.389 -0.558 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.617 -0.854 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 123 14.530 0.445 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 123 16.293 1.425 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.520 2.516 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 123 17.278 2.595 -5.273 1.00 0.00 H new ATOM 1870 N GLU A 124 17.340 -0.256 -1.213 1.00 0.00 N ATOM 1871 CA GLU A 124 17.058 -1.137 -0.068 1.00 0.00 C ATOM 1872 C GLU A 124 16.861 -0.356 1.230 1.00 0.00 C ATOM 1873 O GLU A 124 15.971 -0.677 2.018 1.00 0.00 O ATOM 1874 CB GLU A 124 18.149 -2.192 0.121 1.00 0.00 C ATOM 1875 CG GLU A 124 18.223 -3.185 -1.031 1.00 0.00 C ATOM 1876 CD GLU A 124 19.231 -4.299 -0.680 1.00 0.00 C ATOM 1877 OE1 GLU A 124 20.456 -4.103 -0.870 1.00 0.00 O ATOM 1878 OE2 GLU A 124 18.804 -5.372 -0.190 1.00 0.00 O ATOM 0 H GLU A 124 18.232 -0.433 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 124 16.122 -1.644 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 124 19.113 -1.695 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.966 -2.734 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.239 -3.615 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 124 18.529 -2.677 -1.945 1.00 0.00 H new ATOM 1885 N ASN A 125 17.618 0.725 1.411 1.00 0.00 N ATOM 1886 CA ASN A 125 17.491 1.567 2.591 1.00 0.00 C ATOM 1887 C ASN A 125 16.201 2.413 2.584 1.00 0.00 C ATOM 1888 O ASN A 125 15.686 2.761 3.644 1.00 0.00 O ATOM 1889 CB ASN A 125 18.799 2.366 2.799 1.00 0.00 C ATOM 1890 CG ASN A 125 18.635 3.874 2.819 1.00 0.00 C ATOM 1891 OD1 ASN A 125 18.665 4.524 3.855 1.00 0.00 O ATOM 1892 ND2 ASN A 125 18.458 4.472 1.664 1.00 0.00 N ATOM 0 H ASN A 125 18.329 1.037 0.749 1.00 0.00 H new ATOM 0 HA ASN A 125 17.366 0.938 3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.252 2.053 3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.498 2.102 2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 125 18.344 5.485 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.434 3.924 0.804 1.00 0.00 H new ATOM 1899 N LEU A 126 15.662 2.702 1.393 1.00 0.00 N ATOM 1900 CA LEU A 126 14.401 3.414 1.200 1.00 0.00 C ATOM 1901 C LEU A 126 13.191 2.494 1.369 1.00 0.00 C ATOM 1902 O LEU A 126 12.301 2.814 2.156 1.00 0.00 O ATOM 1903 CB LEU A 126 14.449 4.115 -0.172 1.00 0.00 C ATOM 1904 CG LEU A 126 13.139 4.785 -0.608 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.705 5.892 0.356 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.335 5.394 -1.987 1.00 0.00 C ATOM 0 H LEU A 126 16.107 2.438 0.514 1.00 0.00 H new ATOM 0 HA LEU A 126 14.278 4.172 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.235 4.870 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.733 3.382 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 126 12.362 4.021 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.773 6.336 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.554 5.471 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.478 6.659 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.410 5.873 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.133 6.135 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.602 4.611 -2.696 1.00 0.00 H new ATOM 1918 N ILE A 127 13.142 1.340 0.693 1.00 0.00 N ATOM 1919 CA ILE A 127 11.967 0.452 0.785 1.00 0.00 C ATOM 1920 C ILE A 127 11.749 -0.073 2.205 1.00 0.00 C ATOM 1921 O ILE A 127 10.610 -0.297 2.599 1.00 0.00 O ATOM 1922 CB ILE A 127 12.015 -0.705 -0.231 1.00 0.00 C ATOM 1923 CG1 ILE A 127 13.214 -1.651 -0.005 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.968 -0.117 -1.654 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.454 -2.664 -1.127 1.00 0.00 C ATOM 0 H ILE A 127 13.887 0.999 0.085 1.00 0.00 H new ATOM 0 HA ILE A 127 11.107 1.070 0.526 1.00 0.00 H new ATOM 0 HB ILE A 127 11.141 -1.341 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 127 14.114 -1.050 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.060 -2.193 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.001 -0.926 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.046 0.450 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.823 0.542 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.316 -3.284 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.573 -3.296 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.644 -2.135 -2.061 1.00 0.00 H new ATOM 1937 N ALA A 128 12.818 -0.193 3.000 1.00 0.00 N ATOM 1938 CA ALA A 128 12.714 -0.609 4.392 1.00 0.00 C ATOM 1939 C ALA A 128 12.027 0.437 5.308 1.00 0.00 C ATOM 1940 O ALA A 128 11.546 0.068 6.383 1.00 0.00 O ATOM 1941 CB ALA A 128 14.126 -0.949 4.888 1.00 0.00 C ATOM 0 H ALA A 128 13.772 -0.004 2.693 1.00 0.00 H new ATOM 0 HA ALA A 128 12.065 -1.483 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 128 14.079 -1.265 5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.540 -1.756 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.763 -0.069 4.804 1.00 0.00 H new ATOM 1947 N LYS A 129 11.959 1.722 4.899 1.00 0.00 N ATOM 1948 CA LYS A 129 11.261 2.795 5.646 1.00 0.00 C ATOM 1949 C LYS A 129 9.882 3.191 5.094 1.00 0.00 C ATOM 1950 O LYS A 129 9.010 3.536 5.890 1.00 0.00 O ATOM 1951 CB LYS A 129 12.183 4.007 5.878 1.00 0.00 C ATOM 1952 CG LYS A 129 12.742 4.709 4.630 1.00 0.00 C ATOM 1953 CD LYS A 129 13.554 5.960 5.017 1.00 0.00 C ATOM 1954 CE LYS A 129 14.095 6.679 3.770 1.00 0.00 C ATOM 1955 NZ LYS A 129 14.878 7.902 4.116 1.00 0.00 N ATOM 0 H LYS A 129 12.390 2.048 4.034 1.00 0.00 H new ATOM 0 HA LYS A 129 11.026 2.358 6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.633 4.744 6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 129 13.025 3.680 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.375 4.018 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.922 4.993 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 129 12.925 6.642 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.384 5.673 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.726 5.994 3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.263 6.954 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 15.121 8.417 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.309 8.515 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.751 7.627 4.610 1.00 0.00 H new ATOM 1969 N ILE A 130 9.671 3.124 3.772 1.00 0.00 N ATOM 1970 CA ILE A 130 8.377 3.483 3.129 1.00 0.00 C ATOM 1971 C ILE A 130 7.458 2.311 2.718 1.00 0.00 C ATOM 1972 O ILE A 130 6.410 2.556 2.117 1.00 0.00 O ATOM 1973 CB ILE A 130 8.513 4.573 2.034 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.468 4.264 0.866 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.944 5.900 2.678 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.064 3.074 0.000 1.00 0.00 C ATOM 0 H ILE A 130 10.385 2.821 3.110 1.00 0.00 H new ATOM 0 HA ILE A 130 7.825 3.936 3.953 1.00 0.00 H new ATOM 0 HB ILE A 130 7.520 4.622 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.540 5.148 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.464 4.079 1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.039 6.665 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.195 6.211 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.904 5.767 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.798 2.936 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.022 2.175 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 130 8.084 3.260 -0.439 1.00 0.00 H new ATOM 1988 N SER A 131 7.800 1.057 3.041 1.00 0.00 N ATOM 1989 CA SER A 131 6.905 -0.111 2.871 1.00 0.00 C ATOM 1990 C SER A 131 5.532 0.060 3.550 1.00 0.00 C ATOM 1991 O SER A 131 4.502 -0.101 2.854 1.00 0.00 O ATOM 1992 CB SER A 131 7.594 -1.388 3.356 1.00 0.00 C ATOM 1993 OG SER A 131 8.015 -1.249 4.706 1.00 0.00 O ATOM 1994 OXT SER A 131 5.484 0.330 4.774 1.00 0.00 O ATOM 0 H SER A 131 8.711 0.815 3.431 1.00 0.00 H new ATOM 0 HA SER A 131 6.704 -0.190 1.803 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.910 -2.232 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 131 8.453 -1.607 2.722 1.00 0.00 H new ATOM 0 HG SER A 131 7.358 -0.716 5.200 1.00 0.00 H new TER 2000 SER A 131