USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= 0.834 K(o=1.9,f=0.0072!) USER MOD Set 1.2: A 96 THR OG1 : rot -170:sc= 1.06 USER MOD Set 2.1: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 93 SER OG : rot 74:sc= 1.84 USER MOD Set 3.1: A 73 SER OG : rot 83:sc= 0.252 USER MOD Set 3.2: A 82 HIS : no HE2:sc= -1.94! C(o=-1.7!,f=-8.2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.29) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 74:sc= 1.17 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -29:sc= -2.89! USER MOD Single : A 34 SER OG : rot -54:sc= 1.27 USER MOD Single : A 36 ASN : amide:sc= -0.667 K(o=-0.67,f=-0.013) USER MOD Single : A 37 SER OG : rot 42:sc= 0.0155 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -6.96! C(o=-7!,f=-6!) USER MOD Single : A 45 SER OG : rot -80:sc= 0.319 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -19:sc= -3.33! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= -0.269 (180deg=-0.269) USER MOD Single : A 60 ASN : amide:sc= -1.08 K(o=-1.1,f=-1.7) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00663 X(o=-0.0066,f=0) USER MOD Single : A 76 SER OG : rot 40:sc= 1.13 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 171:sc= -2.97! USER MOD Single : A 97 TYR OH : rot -130:sc= -5.61! USER MOD Single : A 98 SER OG : rot 7:sc= 0.622 USER MOD Single : A 100 ASN : amide:sc= -6.31! C(o=-6.3!,f=-11!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 68:sc= 0.168 USER MOD Single : A 108 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.0029) USER MOD Single : A 109 SER OG : rot 113:sc= -2.52! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 125 GLN : amide:sc= -0.535 X(o=-0.54,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 -32.510 -4.194 -0.365 1.00 0.00 N ATOM 2 CA ARG A 7 -32.412 -2.782 -0.719 1.00 0.00 C ATOM 3 C ARG A 7 -30.955 -2.337 -0.770 1.00 0.00 C ATOM 4 O ARG A 7 -30.322 -2.124 0.264 1.00 0.00 O ATOM 5 CB ARG A 7 -33.186 -1.927 0.286 1.00 0.00 C ATOM 6 CG ARG A 7 -34.661 -2.286 0.381 1.00 0.00 C ATOM 7 CD ARG A 7 -35.550 -1.074 0.152 1.00 0.00 C ATOM 8 NE ARG A 7 -36.431 -0.819 1.288 1.00 0.00 N ATOM 9 CZ ARG A 7 -37.448 -1.607 1.623 1.00 0.00 C ATOM 10 NH1 ARG A 7 -37.710 -2.695 0.912 1.00 0.00 N ATOM 11 NH2 ARG A 7 -38.205 -1.308 2.670 1.00 0.00 N ATOM 0 HA ARG A 7 -32.849 -2.648 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -32.730 -2.035 1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -33.093 -0.878 0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -34.897 -3.055 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -34.870 -2.710 1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.928 -0.197 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -36.150 -1.229 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 7 -36.256 0.010 1.856 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -37.131 -2.929 0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -38.491 -3.298 1.171 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -38.007 -0.472 3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -38.985 -1.914 2.925 1.00 0.00 H new ATOM 25 N ARG A 8 -30.427 -2.210 -1.981 1.00 0.00 N ATOM 26 CA ARG A 8 -29.039 -1.811 -2.177 1.00 0.00 C ATOM 27 C ARG A 8 -28.772 -0.420 -1.615 1.00 0.00 C ATOM 28 O ARG A 8 -29.654 0.437 -1.594 1.00 0.00 O ATOM 29 CB ARG A 8 -28.691 -1.839 -3.666 1.00 0.00 C ATOM 30 CG ARG A 8 -29.197 -3.077 -4.388 1.00 0.00 C ATOM 31 CD ARG A 8 -28.336 -3.407 -5.595 1.00 0.00 C ATOM 32 NE ARG A 8 -28.470 -2.409 -6.652 1.00 0.00 N ATOM 33 CZ ARG A 8 -28.153 -2.634 -7.922 1.00 0.00 C ATOM 34 NH1 ARG A 8 -27.686 -3.819 -8.292 1.00 0.00 N ATOM 35 NH2 ARG A 8 -28.302 -1.674 -8.825 1.00 0.00 N ATOM 0 H ARG A 8 -30.942 -2.378 -2.845 1.00 0.00 H new ATOM 0 HA ARG A 8 -28.411 -2.521 -1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -29.109 -0.954 -4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -27.608 -1.781 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -29.203 -3.923 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -30.227 -2.918 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -27.292 -3.472 -5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -28.616 -4.386 -5.983 1.00 0.00 H new ATOM 0 HE ARG A 8 -28.827 -1.487 -6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.570 -4.560 -7.601 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -27.443 -3.989 -9.268 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.661 -0.761 -8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -28.058 -1.849 -9.800 1.00 0.00 H new ATOM 49 N CYS A 9 -27.535 -0.204 -1.186 1.00 0.00 N ATOM 50 CA CYS A 9 -27.109 1.084 -0.656 1.00 0.00 C ATOM 51 C CYS A 9 -27.063 2.113 -1.789 1.00 0.00 C ATOM 52 O CYS A 9 -27.392 1.788 -2.930 1.00 0.00 O ATOM 53 CB CYS A 9 -25.732 0.916 -0.001 1.00 0.00 C ATOM 54 SG CYS A 9 -25.667 -0.410 1.244 1.00 0.00 S ATOM 0 H CYS A 9 -26.802 -0.913 -1.196 1.00 0.00 H new ATOM 0 HA CYS A 9 -27.814 1.441 0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -24.994 0.710 -0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.446 1.857 0.469 1.00 0.00 H new ATOM 59 N PRO A 10 -26.708 3.378 -1.500 1.00 0.00 N ATOM 60 CA PRO A 10 -26.624 4.417 -2.509 1.00 0.00 C ATOM 61 C PRO A 10 -25.244 4.470 -3.144 1.00 0.00 C ATOM 62 O PRO A 10 -24.403 3.609 -2.889 1.00 0.00 O ATOM 63 CB PRO A 10 -26.896 5.697 -1.714 1.00 0.00 C ATOM 64 CG PRO A 10 -26.659 5.351 -0.273 1.00 0.00 C ATOM 65 CD PRO A 10 -26.280 3.896 -0.204 1.00 0.00 C ATOM 0 HA PRO A 10 -27.319 4.257 -3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -26.236 6.503 -2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.918 6.042 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -25.866 5.972 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -27.555 5.540 0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -25.208 3.766 -0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -26.783 3.388 0.619 1.00 0.00 H new ATOM 73 N SER A 11 -25.004 5.490 -3.956 1.00 0.00 N ATOM 74 CA SER A 11 -23.706 5.651 -4.590 1.00 0.00 C ATOM 75 C SER A 11 -22.611 5.722 -3.529 1.00 0.00 C ATOM 76 O SER A 11 -22.500 6.719 -2.816 1.00 0.00 O ATOM 77 CB SER A 11 -23.684 6.915 -5.452 1.00 0.00 C ATOM 78 OG SER A 11 -22.360 7.386 -5.633 1.00 0.00 O ATOM 0 H SER A 11 -25.686 6.212 -4.189 1.00 0.00 H new ATOM 0 HA SER A 11 -23.524 4.789 -5.232 1.00 0.00 H new ATOM 0 HB2 SER A 11 -24.134 6.705 -6.422 1.00 0.00 H new ATOM 0 HB3 SER A 11 -24.288 7.691 -4.981 1.00 0.00 H new ATOM 0 HG SER A 11 -22.373 8.193 -6.188 1.00 0.00 H new ATOM 84 N PRO A 12 -21.811 4.653 -3.373 1.00 0.00 N ATOM 85 CA PRO A 12 -20.751 4.616 -2.367 1.00 0.00 C ATOM 86 C PRO A 12 -19.832 5.824 -2.462 1.00 0.00 C ATOM 87 O PRO A 12 -19.828 6.538 -3.464 1.00 0.00 O ATOM 88 CB PRO A 12 -19.981 3.324 -2.669 1.00 0.00 C ATOM 89 CG PRO A 12 -20.480 2.849 -3.992 1.00 0.00 C ATOM 90 CD PRO A 12 -21.862 3.411 -4.158 1.00 0.00 C ATOM 0 HA PRO A 12 -21.158 4.640 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.907 3.508 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -20.154 2.576 -1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.826 3.186 -4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.498 1.760 -4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -22.096 3.605 -5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.623 2.727 -3.783 1.00 0.00 H new ATOM 98 N ARG A 13 -19.077 6.064 -1.399 1.00 0.00 N ATOM 99 CA ARG A 13 -18.142 7.178 -1.369 1.00 0.00 C ATOM 100 C ARG A 13 -17.089 7.001 -2.445 1.00 0.00 C ATOM 101 O ARG A 13 -17.162 6.072 -3.246 1.00 0.00 O ATOM 102 CB ARG A 13 -17.479 7.285 0.006 1.00 0.00 C ATOM 103 CG ARG A 13 -17.386 8.712 0.526 1.00 0.00 C ATOM 104 CD ARG A 13 -18.220 8.905 1.783 1.00 0.00 C ATOM 105 NE ARG A 13 -18.828 10.232 1.838 1.00 0.00 N ATOM 106 CZ ARG A 13 -19.425 10.725 2.919 1.00 0.00 C ATOM 107 NH1 ARG A 13 -19.955 11.940 2.890 1.00 0.00 N ATOM 108 NH2 ARG A 13 -19.492 10.004 4.030 1.00 0.00 N ATOM 0 H ARG A 13 -19.094 5.503 -0.548 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.692 8.099 -1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -18.041 6.683 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.476 6.861 -0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -16.345 8.955 0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.724 9.404 -0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -19.002 8.146 1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -17.592 8.758 2.661 1.00 0.00 H new ATOM 0 HE ARG A 13 -18.793 10.813 1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -19.905 12.498 2.038 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -20.413 12.317 3.720 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -19.085 9.069 4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -19.950 10.384 4.858 1.00 0.00 H new ATOM 122 N ASP A 14 -16.127 7.904 -2.473 1.00 0.00 N ATOM 123 CA ASP A 14 -15.059 7.834 -3.458 1.00 0.00 C ATOM 124 C ASP A 14 -13.729 8.271 -2.862 1.00 0.00 C ATOM 125 O ASP A 14 -13.626 8.545 -1.666 1.00 0.00 O ATOM 126 CB ASP A 14 -15.391 8.701 -4.673 1.00 0.00 C ATOM 127 CG ASP A 14 -15.323 7.926 -5.974 1.00 0.00 C ATOM 128 OD1 ASP A 14 -14.266 7.972 -6.638 1.00 0.00 O ATOM 129 OD2 ASP A 14 -16.328 7.276 -6.331 1.00 0.00 O ATOM 0 H ASP A 14 -16.061 8.692 -1.829 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.970 6.795 -3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.391 9.119 -4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.697 9.540 -4.717 1.00 0.00 H new ATOM 134 N ILE A 15 -12.714 8.332 -3.711 1.00 0.00 N ATOM 135 CA ILE A 15 -11.379 8.736 -3.289 1.00 0.00 C ATOM 136 C ILE A 15 -10.679 9.522 -4.392 1.00 0.00 C ATOM 137 O ILE A 15 -11.045 9.424 -5.563 1.00 0.00 O ATOM 138 CB ILE A 15 -10.521 7.516 -2.908 1.00 0.00 C ATOM 139 CG1 ILE A 15 -9.159 7.967 -2.379 1.00 0.00 C ATOM 140 CG2 ILE A 15 -10.353 6.592 -4.103 1.00 0.00 C ATOM 141 CD1 ILE A 15 -8.468 6.924 -1.532 1.00 0.00 C ATOM 0 H ILE A 15 -12.790 8.106 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.494 9.372 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.031 6.965 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.517 8.223 -3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.289 8.875 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.744 5.734 -3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.332 6.247 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.863 7.131 -4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.508 7.311 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.090 6.685 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.307 6.023 -2.124 1.00 0.00 H new ATOM 153 N ASP A 16 -9.679 10.311 -4.013 1.00 0.00 N ATOM 154 CA ASP A 16 -8.950 11.129 -4.975 1.00 0.00 C ATOM 155 C ASP A 16 -7.699 10.415 -5.480 1.00 0.00 C ATOM 156 O ASP A 16 -7.508 10.258 -6.686 1.00 0.00 O ATOM 157 CB ASP A 16 -8.564 12.469 -4.343 1.00 0.00 C ATOM 158 CG ASP A 16 -9.715 13.455 -4.328 1.00 0.00 C ATOM 159 OD1 ASP A 16 -9.454 14.674 -4.418 1.00 0.00 O ATOM 160 OD2 ASP A 16 -10.877 13.010 -4.224 1.00 0.00 O ATOM 0 H ASP A 16 -9.356 10.401 -3.050 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.607 11.305 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.221 12.300 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.728 12.900 -4.894 1.00 0.00 H new ATOM 165 N ASN A 17 -6.843 9.999 -4.553 1.00 0.00 N ATOM 166 CA ASN A 17 -5.600 9.322 -4.910 1.00 0.00 C ATOM 167 C ASN A 17 -5.795 7.813 -4.943 1.00 0.00 C ATOM 168 O ASN A 17 -4.979 7.057 -4.416 1.00 0.00 O ATOM 169 CB ASN A 17 -4.487 9.689 -3.923 1.00 0.00 C ATOM 170 CG ASN A 17 -4.595 11.121 -3.435 1.00 0.00 C ATOM 171 OD1 ASN A 17 -4.268 11.425 -2.288 1.00 0.00 O ATOM 172 ND2 ASN A 17 -5.075 12.008 -4.302 1.00 0.00 N ATOM 0 H ASN A 17 -6.986 10.118 -3.550 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.309 9.653 -5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.526 9.013 -3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.518 9.543 -4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.184 12.984 -4.026 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.334 11.713 -5.243 1.00 0.00 H new ATOM 179 N GLY A 18 -6.881 7.381 -5.572 1.00 0.00 N ATOM 180 CA GLY A 18 -7.167 5.962 -5.663 1.00 0.00 C ATOM 181 C GLY A 18 -8.413 5.659 -6.476 1.00 0.00 C ATOM 182 O GLY A 18 -9.058 6.566 -7.001 1.00 0.00 O ATOM 0 H GLY A 18 -7.568 7.987 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.314 5.453 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.288 5.556 -4.659 1.00 0.00 H new ATOM 186 N GLN A 19 -8.744 4.374 -6.585 1.00 0.00 N ATOM 187 CA GLN A 19 -9.921 3.939 -7.330 1.00 0.00 C ATOM 188 C GLN A 19 -10.671 2.860 -6.556 1.00 0.00 C ATOM 189 O GLN A 19 -10.062 1.953 -5.988 1.00 0.00 O ATOM 190 CB GLN A 19 -9.524 3.401 -8.711 1.00 0.00 C ATOM 191 CG GLN A 19 -8.236 3.992 -9.263 1.00 0.00 C ATOM 192 CD GLN A 19 -8.307 4.254 -10.755 1.00 0.00 C ATOM 193 OE1 GLN A 19 -8.276 3.325 -11.562 1.00 0.00 O ATOM 194 NE2 GLN A 19 -8.404 5.525 -11.129 1.00 0.00 N ATOM 0 H GLN A 19 -8.210 3.614 -6.164 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.573 4.802 -7.464 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.417 2.318 -8.650 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.333 3.602 -9.413 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.017 4.925 -8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.410 3.311 -9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.426 6.263 -10.426 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.456 5.763 -12.120 1.00 0.00 H new ATOM 203 N LEU A 20 -11.995 2.961 -6.539 1.00 0.00 N ATOM 204 CA LEU A 20 -12.825 2.003 -5.824 1.00 0.00 C ATOM 205 C LEU A 20 -13.073 0.748 -6.654 1.00 0.00 C ATOM 206 O LEU A 20 -13.036 0.783 -7.884 1.00 0.00 O ATOM 207 CB LEU A 20 -14.157 2.645 -5.456 1.00 0.00 C ATOM 208 CG LEU A 20 -14.130 3.491 -4.187 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.474 4.147 -3.972 1.00 0.00 C ATOM 210 CD2 LEU A 20 -13.038 4.545 -4.263 1.00 0.00 C ATOM 0 H LEU A 20 -12.516 3.698 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.293 1.710 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.484 3.271 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.902 1.859 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.915 2.836 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.444 4.749 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.707 4.787 -4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.242 3.380 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.038 5.136 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.070 4.058 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.222 5.198 -5.116 1.00 0.00 H new ATOM 222 N ASP A 21 -13.345 -0.356 -5.967 1.00 0.00 N ATOM 223 CA ASP A 21 -13.635 -1.623 -6.627 1.00 0.00 C ATOM 224 C ASP A 21 -14.982 -2.160 -6.160 1.00 0.00 C ATOM 225 O ASP A 21 -15.049 -2.988 -5.251 1.00 0.00 O ATOM 226 CB ASP A 21 -12.534 -2.643 -6.332 1.00 0.00 C ATOM 227 CG ASP A 21 -12.170 -3.469 -7.550 1.00 0.00 C ATOM 228 OD1 ASP A 21 -12.843 -4.492 -7.797 1.00 0.00 O ATOM 229 OD2 ASP A 21 -11.212 -3.093 -8.258 1.00 0.00 O ATOM 0 H ASP A 21 -13.371 -0.398 -4.948 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.674 -1.453 -7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.647 -2.122 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.862 -3.306 -5.531 1.00 0.00 H new ATOM 234 N ILE A 22 -16.052 -1.684 -6.791 1.00 0.00 N ATOM 235 CA ILE A 22 -17.404 -2.075 -6.409 1.00 0.00 C ATOM 236 C ILE A 22 -17.682 -3.536 -6.740 1.00 0.00 C ATOM 237 O ILE A 22 -17.837 -3.904 -7.904 1.00 0.00 O ATOM 238 CB ILE A 22 -18.457 -1.194 -7.099 1.00 0.00 C ATOM 239 CG1 ILE A 22 -18.195 0.282 -6.764 1.00 0.00 C ATOM 240 CG2 ILE A 22 -19.870 -1.620 -6.699 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.844 0.766 -5.483 1.00 0.00 C ATOM 0 H ILE A 22 -16.008 -1.027 -7.570 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.473 -1.938 -5.330 1.00 0.00 H new ATOM 0 HB ILE A 22 -18.378 -1.321 -8.179 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.119 0.438 -6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -18.551 0.897 -7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.598 -0.982 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -20.034 -2.657 -6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -19.987 -1.525 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.604 1.818 -5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.925 0.647 -5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.470 0.182 -4.642 1.00 0.00 H new ATOM 253 N GLY A 23 -17.770 -4.358 -5.701 1.00 0.00 N ATOM 254 CA GLY A 23 -18.071 -5.763 -5.888 1.00 0.00 C ATOM 255 C GLY A 23 -19.432 -6.131 -5.332 1.00 0.00 C ATOM 256 O GLY A 23 -19.704 -7.301 -5.060 1.00 0.00 O ATOM 0 H GLY A 23 -17.638 -4.075 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.037 -6.003 -6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.305 -6.366 -5.400 1.00 0.00 H new ATOM 260 N GLY A 24 -20.288 -5.127 -5.154 1.00 0.00 N ATOM 261 CA GLY A 24 -21.615 -5.367 -4.619 1.00 0.00 C ATOM 262 C GLY A 24 -22.116 -4.207 -3.780 1.00 0.00 C ATOM 263 O GLY A 24 -21.434 -3.760 -2.858 1.00 0.00 O ATOM 0 H GLY A 24 -20.084 -4.151 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -22.309 -5.545 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -21.601 -6.272 -4.012 1.00 0.00 H new ATOM 267 N VAL A 25 -23.307 -3.715 -4.103 1.00 0.00 N ATOM 268 CA VAL A 25 -23.895 -2.595 -3.375 1.00 0.00 C ATOM 269 C VAL A 25 -25.183 -3.003 -2.669 1.00 0.00 C ATOM 270 O VAL A 25 -26.009 -2.155 -2.331 1.00 0.00 O ATOM 271 CB VAL A 25 -24.189 -1.409 -4.310 1.00 0.00 C ATOM 272 CG1 VAL A 25 -22.901 -0.880 -4.920 1.00 0.00 C ATOM 273 CG2 VAL A 25 -25.176 -1.813 -5.395 1.00 0.00 C ATOM 0 H VAL A 25 -23.884 -4.073 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 25 -23.161 -2.289 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 25 -24.641 -0.610 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -23.128 -0.042 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -22.232 -0.547 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -22.418 -1.671 -5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -25.371 -0.960 -6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -24.757 -2.630 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -26.109 -2.139 -4.935 1.00 0.00 H new ATOM 283 N ASP A 26 -25.346 -4.302 -2.440 1.00 0.00 N ATOM 284 CA ASP A 26 -26.531 -4.812 -1.764 1.00 0.00 C ATOM 285 C ASP A 26 -26.306 -4.886 -0.258 1.00 0.00 C ATOM 286 O ASP A 26 -25.177 -5.050 0.204 1.00 0.00 O ATOM 287 CB ASP A 26 -26.896 -6.195 -2.301 1.00 0.00 C ATOM 288 CG ASP A 26 -26.987 -6.225 -3.814 1.00 0.00 C ATOM 289 OD1 ASP A 26 -25.948 -6.019 -4.475 1.00 0.00 O ATOM 290 OD2 ASP A 26 -28.098 -6.455 -4.337 1.00 0.00 O ATOM 0 H ASP A 26 -24.673 -5.019 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 26 -27.354 -4.124 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -26.150 -6.918 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -27.851 -6.506 -1.877 1.00 0.00 H new ATOM 295 N PHE A 27 -27.389 -4.765 0.501 1.00 0.00 N ATOM 296 CA PHE A 27 -27.312 -4.823 1.955 1.00 0.00 C ATOM 297 C PHE A 27 -26.571 -6.075 2.409 1.00 0.00 C ATOM 298 O PHE A 27 -27.154 -7.155 2.505 1.00 0.00 O ATOM 299 CB PHE A 27 -28.717 -4.794 2.561 1.00 0.00 C ATOM 300 CG PHE A 27 -28.738 -5.005 4.048 1.00 0.00 C ATOM 301 CD1 PHE A 27 -29.732 -5.768 4.638 1.00 0.00 C ATOM 302 CD2 PHE A 27 -27.762 -4.441 4.854 1.00 0.00 C ATOM 303 CE1 PHE A 27 -29.753 -5.964 6.006 1.00 0.00 C ATOM 304 CE2 PHE A 27 -27.778 -4.634 6.223 1.00 0.00 C ATOM 305 CZ PHE A 27 -28.775 -5.397 6.799 1.00 0.00 C ATOM 0 H PHE A 27 -28.330 -4.626 0.133 1.00 0.00 H new ATOM 0 HA PHE A 27 -26.758 -3.951 2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -29.182 -3.835 2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -29.324 -5.564 2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -30.499 -6.215 4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -26.980 -3.844 4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -30.534 -6.560 6.454 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -27.012 -4.189 6.841 1.00 0.00 H new ATOM 0 HZ PHE A 27 -28.790 -5.550 7.868 1.00 0.00 H new ATOM 315 N GLY A 28 -25.280 -5.923 2.681 1.00 0.00 N ATOM 316 CA GLY A 28 -24.478 -7.047 3.124 1.00 0.00 C ATOM 317 C GLY A 28 -23.281 -7.310 2.228 1.00 0.00 C ATOM 318 O GLY A 28 -22.647 -8.360 2.328 1.00 0.00 O ATOM 0 H GLY A 28 -24.774 -5.041 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -24.130 -6.860 4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -25.102 -7.940 3.159 1.00 0.00 H new ATOM 322 N SER A 29 -22.967 -6.360 1.349 1.00 0.00 N ATOM 323 CA SER A 29 -21.828 -6.503 0.451 1.00 0.00 C ATOM 324 C SER A 29 -20.642 -5.699 0.965 1.00 0.00 C ATOM 325 O SER A 29 -20.604 -5.311 2.132 1.00 0.00 O ATOM 326 CB SER A 29 -22.202 -6.042 -0.959 1.00 0.00 C ATOM 327 OG SER A 29 -23.486 -6.517 -1.328 1.00 0.00 O ATOM 0 H SER A 29 -23.484 -5.487 1.241 1.00 0.00 H new ATOM 0 HA SER A 29 -21.548 -7.556 0.415 1.00 0.00 H new ATOM 0 HB2 SER A 29 -22.187 -4.953 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 29 -21.459 -6.401 -1.671 1.00 0.00 H new ATOM 0 HG SER A 29 -24.173 -6.006 -0.852 1.00 0.00 H new ATOM 333 N SER A 30 -19.675 -5.447 0.091 1.00 0.00 N ATOM 334 CA SER A 30 -18.501 -4.670 0.467 1.00 0.00 C ATOM 335 C SER A 30 -17.715 -4.226 -0.758 1.00 0.00 C ATOM 336 O SER A 30 -17.653 -4.934 -1.764 1.00 0.00 O ATOM 337 CB SER A 30 -17.595 -5.477 1.403 1.00 0.00 C ATOM 338 OG SER A 30 -17.689 -6.866 1.135 1.00 0.00 O ATOM 0 H SER A 30 -19.680 -5.767 -0.877 1.00 0.00 H new ATOM 0 HA SER A 30 -18.851 -3.780 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 30 -16.562 -5.150 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 30 -17.874 -5.284 2.439 1.00 0.00 H new ATOM 0 HG SER A 30 -17.100 -7.357 1.745 1.00 0.00 H new ATOM 344 N ILE A 31 -17.111 -3.048 -0.661 1.00 0.00 N ATOM 345 CA ILE A 31 -16.316 -2.499 -1.753 1.00 0.00 C ATOM 346 C ILE A 31 -14.829 -2.639 -1.449 1.00 0.00 C ATOM 347 O ILE A 31 -14.448 -3.033 -0.346 1.00 0.00 O ATOM 348 CB ILE A 31 -16.632 -1.008 -2.021 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.031 -0.634 -1.529 1.00 0.00 C ATOM 350 CG2 ILE A 31 -16.516 -0.704 -3.501 1.00 0.00 C ATOM 351 CD1 ILE A 31 -18.292 0.856 -1.549 1.00 0.00 C ATOM 0 H ILE A 31 -17.157 -2.452 0.166 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.576 -3.069 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 31 -15.905 -0.413 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.773 -1.135 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -18.163 -1.006 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -16.741 0.348 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.502 -0.919 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.222 -1.322 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.301 1.053 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.571 1.360 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.191 1.229 -2.568 1.00 0.00 H new ATOM 363 N THR A 32 -13.991 -2.311 -2.425 1.00 0.00 N ATOM 364 CA THR A 32 -12.548 -2.400 -2.244 1.00 0.00 C ATOM 365 C THR A 32 -11.852 -1.151 -2.773 1.00 0.00 C ATOM 366 O THR A 32 -11.878 -0.872 -3.972 1.00 0.00 O ATOM 367 CB THR A 32 -11.999 -3.643 -2.944 1.00 0.00 C ATOM 368 OG1 THR A 32 -13.003 -4.637 -3.060 1.00 0.00 O ATOM 369 CG2 THR A 32 -10.821 -4.260 -2.224 1.00 0.00 C ATOM 0 H THR A 32 -14.284 -1.983 -3.345 1.00 0.00 H new ATOM 0 HA THR A 32 -12.347 -2.477 -1.175 1.00 0.00 H new ATOM 0 HB THR A 32 -11.667 -3.302 -3.925 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.633 -5.424 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.479 -5.138 -2.772 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.011 -3.533 -2.161 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.123 -4.555 -1.219 1.00 0.00 H new ATOM 377 N TYR A 33 -11.230 -0.403 -1.868 1.00 0.00 N ATOM 378 CA TYR A 33 -10.526 0.819 -2.237 1.00 0.00 C ATOM 379 C TYR A 33 -9.080 0.523 -2.621 1.00 0.00 C ATOM 380 O TYR A 33 -8.471 -0.414 -2.107 1.00 0.00 O ATOM 381 CB TYR A 33 -10.561 1.820 -1.079 1.00 0.00 C ATOM 382 CG TYR A 33 -11.817 2.661 -1.039 1.00 0.00 C ATOM 383 CD1 TYR A 33 -13.033 2.114 -0.651 1.00 0.00 C ATOM 384 CD2 TYR A 33 -11.783 4.006 -1.386 1.00 0.00 C ATOM 385 CE1 TYR A 33 -14.182 2.882 -0.612 1.00 0.00 C ATOM 386 CE2 TYR A 33 -12.927 4.780 -1.352 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.124 4.214 -0.963 1.00 0.00 C ATOM 388 OH TYR A 33 -15.267 4.981 -0.926 1.00 0.00 O ATOM 0 H TYR A 33 -11.199 -0.622 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.031 1.251 -3.101 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.468 1.277 -0.138 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.696 2.479 -1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.082 1.071 -0.375 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.847 4.454 -1.687 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -15.120 2.441 -0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.885 5.823 -1.629 1.00 0.00 H new ATOM 0 HH TYR A 33 -16.048 4.413 -1.094 1.00 0.00 H new ATOM 398 N SER A 34 -8.533 1.330 -3.525 1.00 0.00 N ATOM 399 CA SER A 34 -7.155 1.156 -3.970 1.00 0.00 C ATOM 400 C SER A 34 -6.555 2.491 -4.396 1.00 0.00 C ATOM 401 O SER A 34 -7.277 3.406 -4.784 1.00 0.00 O ATOM 402 CB SER A 34 -7.095 0.162 -5.132 1.00 0.00 C ATOM 403 OG SER A 34 -7.673 0.710 -6.304 1.00 0.00 O ATOM 0 H SER A 34 -9.023 2.110 -3.963 1.00 0.00 H new ATOM 0 HA SER A 34 -6.573 0.763 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.058 -0.111 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.619 -0.754 -4.858 1.00 0.00 H new ATOM 0 HG SER A 34 -8.582 1.018 -6.107 1.00 0.00 H new ATOM 409 N CYS A 35 -5.233 2.601 -4.314 1.00 0.00 N ATOM 410 CA CYS A 35 -4.548 3.831 -4.693 1.00 0.00 C ATOM 411 C CYS A 35 -4.432 3.943 -6.209 1.00 0.00 C ATOM 412 O CYS A 35 -4.693 2.982 -6.934 1.00 0.00 O ATOM 413 CB CYS A 35 -3.160 3.883 -4.054 1.00 0.00 C ATOM 414 SG CYS A 35 -3.148 4.554 -2.360 1.00 0.00 S ATOM 0 H CYS A 35 -4.617 1.856 -3.990 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.137 4.674 -4.331 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.741 2.877 -4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.506 4.491 -4.679 1.00 0.00 H new ATOM 419 N ASN A 36 -4.055 5.125 -6.685 1.00 0.00 N ATOM 420 CA ASN A 36 -3.932 5.367 -8.119 1.00 0.00 C ATOM 421 C ASN A 36 -2.760 4.593 -8.716 1.00 0.00 C ATOM 422 O ASN A 36 -2.942 3.509 -9.272 1.00 0.00 O ATOM 423 CB ASN A 36 -3.766 6.863 -8.393 1.00 0.00 C ATOM 424 CG ASN A 36 -4.971 7.458 -9.095 1.00 0.00 C ATOM 425 OD1 ASN A 36 -5.313 7.061 -10.209 1.00 0.00 O ATOM 426 ND2 ASN A 36 -5.623 8.414 -8.445 1.00 0.00 N ATOM 0 H ASN A 36 -3.829 5.930 -6.100 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.847 5.015 -8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.602 7.386 -7.451 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.878 7.022 -9.004 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.443 8.850 -8.867 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.305 8.712 -7.523 1.00 0.00 H new ATOM 433 N SER A 37 -1.562 5.159 -8.617 1.00 0.00 N ATOM 434 CA SER A 37 -0.369 4.519 -9.160 1.00 0.00 C ATOM 435 C SER A 37 0.880 4.973 -8.416 1.00 0.00 C ATOM 436 O SER A 37 1.091 6.168 -8.205 1.00 0.00 O ATOM 437 CB SER A 37 -0.233 4.832 -10.652 1.00 0.00 C ATOM 438 OG SER A 37 -0.644 3.731 -11.443 1.00 0.00 O ATOM 0 H SER A 37 -1.391 6.058 -8.167 1.00 0.00 H new ATOM 0 HA SER A 37 -0.473 3.442 -9.029 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.835 5.707 -10.900 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.803 5.082 -10.881 1.00 0.00 H new ATOM 0 HG SER A 37 -1.453 3.335 -11.057 1.00 0.00 H new ATOM 444 N GLY A 38 1.711 4.012 -8.026 1.00 0.00 N ATOM 445 CA GLY A 38 2.919 4.332 -7.292 1.00 0.00 C ATOM 446 C GLY A 38 2.618 4.825 -5.893 1.00 0.00 C ATOM 447 O GLY A 38 3.428 5.523 -5.283 1.00 0.00 O ATOM 0 H GLY A 38 1.569 3.018 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.554 3.448 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.480 5.094 -7.832 1.00 0.00 H new ATOM 451 N TYR A 39 1.442 4.467 -5.388 1.00 0.00 N ATOM 452 CA TYR A 39 1.023 4.882 -4.059 1.00 0.00 C ATOM 453 C TYR A 39 0.828 3.677 -3.150 1.00 0.00 C ATOM 454 O TYR A 39 1.015 2.534 -3.565 1.00 0.00 O ATOM 455 CB TYR A 39 -0.282 5.674 -4.143 1.00 0.00 C ATOM 456 CG TYR A 39 -0.080 7.168 -4.230 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.991 7.703 -4.931 1.00 0.00 C ATOM 458 CD2 TYR A 39 -0.971 8.045 -3.624 1.00 0.00 C ATOM 459 CE1 TYR A 39 1.195 9.063 -4.993 1.00 0.00 C ATOM 460 CE2 TYR A 39 -0.787 9.411 -3.699 1.00 0.00 C ATOM 461 CZ TYR A 39 0.297 9.917 -4.385 1.00 0.00 C ATOM 462 OH TYR A 39 0.486 11.277 -4.463 1.00 0.00 O ATOM 0 H TYR A 39 0.762 3.889 -5.882 1.00 0.00 H new ATOM 0 HA TYR A 39 1.806 5.513 -3.639 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.844 5.341 -5.016 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.891 5.449 -3.267 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.677 7.040 -5.437 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.821 7.652 -3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.053 9.460 -5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.488 10.080 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.235 11.736 -3.983 1.00 0.00 H new ATOM 472 N HIS A 40 0.443 3.944 -1.910 1.00 0.00 N ATOM 473 CA HIS A 40 0.185 2.886 -0.946 1.00 0.00 C ATOM 474 C HIS A 40 -0.967 3.277 -0.030 1.00 0.00 C ATOM 475 O HIS A 40 -0.885 4.258 0.708 1.00 0.00 O ATOM 476 CB HIS A 40 1.442 2.571 -0.129 1.00 0.00 C ATOM 477 CG HIS A 40 1.801 3.627 0.869 1.00 0.00 C ATOM 478 ND1 HIS A 40 2.152 3.342 2.173 1.00 0.00 N ATOM 479 CD2 HIS A 40 1.881 4.972 0.746 1.00 0.00 C ATOM 480 CE1 HIS A 40 2.424 4.468 2.809 1.00 0.00 C ATOM 481 NE2 HIS A 40 2.266 5.470 1.966 1.00 0.00 N ATOM 0 H HIS A 40 0.302 4.887 -1.548 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.094 1.985 -1.492 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.295 1.626 0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.280 2.431 -0.811 1.00 0.00 H new ATOM 0 HD1 HIS A 40 2.195 2.408 2.582 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.680 5.547 -0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.724 4.553 3.843 1.00 0.00 H new ATOM 490 N LEU A 41 -2.061 2.534 -0.130 1.00 0.00 N ATOM 491 CA LEU A 41 -3.247 2.799 0.667 1.00 0.00 C ATOM 492 C LEU A 41 -3.028 2.374 2.108 1.00 0.00 C ATOM 493 O LEU A 41 -2.645 1.235 2.377 1.00 0.00 O ATOM 494 CB LEU A 41 -4.447 2.054 0.079 1.00 0.00 C ATOM 495 CG LEU A 41 -5.741 2.169 0.886 1.00 0.00 C ATOM 496 CD1 LEU A 41 -6.945 2.176 -0.043 1.00 0.00 C ATOM 497 CD2 LEU A 41 -5.841 1.035 1.895 1.00 0.00 C ATOM 0 H LEU A 41 -2.150 1.737 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.446 3.871 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.630 2.430 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.189 0.999 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.728 3.111 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.859 2.258 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.874 3.024 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.966 1.250 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.768 1.132 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.834 0.080 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.993 1.080 2.578 1.00 0.00 H new ATOM 509 N ILE A 42 -3.257 3.294 3.034 1.00 0.00 N ATOM 510 CA ILE A 42 -3.073 2.996 4.447 1.00 0.00 C ATOM 511 C ILE A 42 -4.409 2.745 5.128 1.00 0.00 C ATOM 512 O ILE A 42 -5.454 3.195 4.659 1.00 0.00 O ATOM 513 CB ILE A 42 -2.324 4.117 5.200 1.00 0.00 C ATOM 514 CG1 ILE A 42 -1.389 4.877 4.258 1.00 0.00 C ATOM 515 CG2 ILE A 42 -1.532 3.519 6.348 1.00 0.00 C ATOM 516 CD1 ILE A 42 -0.362 3.986 3.603 1.00 0.00 C ATOM 0 H ILE A 42 -3.568 4.245 2.835 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.461 2.095 4.488 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.057 4.822 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.981 5.369 3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.878 5.662 4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.004 4.312 6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.211 3.014 7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.811 2.801 5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.272 4.583 2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.252 3.514 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.867 3.217 3.019 1.00 0.00 H new ATOM 528 N GLY A 43 -4.364 2.009 6.227 1.00 0.00 N ATOM 529 CA GLY A 43 -5.580 1.691 6.954 1.00 0.00 C ATOM 530 C GLY A 43 -6.428 0.661 6.233 1.00 0.00 C ATOM 531 O GLY A 43 -5.900 -0.215 5.548 1.00 0.00 O ATOM 0 H GLY A 43 -3.509 1.625 6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.321 1.317 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.162 2.601 7.099 1.00 0.00 H new ATOM 535 N GLU A 44 -7.746 0.769 6.377 1.00 0.00 N ATOM 536 CA GLU A 44 -8.657 -0.153 5.714 1.00 0.00 C ATOM 537 C GLU A 44 -8.589 0.019 4.205 1.00 0.00 C ATOM 538 O GLU A 44 -7.805 0.819 3.694 1.00 0.00 O ATOM 539 CB GLU A 44 -10.096 0.072 6.183 1.00 0.00 C ATOM 540 CG GLU A 44 -10.548 1.519 6.085 1.00 0.00 C ATOM 541 CD GLU A 44 -11.422 1.939 7.249 1.00 0.00 C ATOM 542 OE1 GLU A 44 -11.788 3.131 7.315 1.00 0.00 O ATOM 543 OE2 GLU A 44 -11.741 1.077 8.094 1.00 0.00 O ATOM 0 H GLU A 44 -8.203 1.483 6.944 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.351 -1.166 5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.765 -0.550 5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.188 -0.260 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.672 2.167 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.097 1.662 5.154 1.00 0.00 H new ATOM 550 N SER A 45 -9.435 -0.717 3.502 1.00 0.00 N ATOM 551 CA SER A 45 -9.480 -0.649 2.050 1.00 0.00 C ATOM 552 C SER A 45 -10.764 -1.267 1.516 1.00 0.00 C ATOM 553 O SER A 45 -10.805 -1.737 0.380 1.00 0.00 O ATOM 554 CB SER A 45 -8.271 -1.375 1.455 1.00 0.00 C ATOM 555 OG SER A 45 -7.897 -0.813 0.211 1.00 0.00 O ATOM 0 H SER A 45 -10.101 -1.370 3.915 1.00 0.00 H new ATOM 0 HA SER A 45 -9.454 0.401 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.432 -1.319 2.149 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.506 -2.431 1.324 1.00 0.00 H new ATOM 0 HG SER A 45 -8.492 -1.149 -0.492 1.00 0.00 H new ATOM 561 N LYS A 46 -11.813 -1.267 2.335 1.00 0.00 N ATOM 562 CA LYS A 46 -13.075 -1.866 1.930 1.00 0.00 C ATOM 563 C LYS A 46 -14.266 -1.226 2.639 1.00 0.00 C ATOM 564 O LYS A 46 -14.302 -1.142 3.867 1.00 0.00 O ATOM 565 CB LYS A 46 -13.050 -3.365 2.231 1.00 0.00 C ATOM 566 CG LYS A 46 -12.468 -4.211 1.110 1.00 0.00 C ATOM 567 CD LYS A 46 -11.440 -5.200 1.637 1.00 0.00 C ATOM 568 CE LYS A 46 -12.093 -6.494 2.095 1.00 0.00 C ATOM 569 NZ LYS A 46 -11.086 -7.520 2.483 1.00 0.00 N ATOM 0 H LYS A 46 -11.812 -0.863 3.272 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.193 -1.696 0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.470 -3.533 3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -14.066 -3.701 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.270 -4.751 0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.004 -3.563 0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.709 -5.416 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.896 -4.752 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.747 -6.290 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.721 -6.886 1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.573 -8.386 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.477 -7.735 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.503 -7.157 3.264 1.00 0.00 H new ATOM 583 N SER A 47 -15.253 -0.807 1.853 1.00 0.00 N ATOM 584 CA SER A 47 -16.488 -0.242 2.388 1.00 0.00 C ATOM 585 C SER A 47 -17.508 -1.352 2.554 1.00 0.00 C ATOM 586 O SER A 47 -17.562 -2.255 1.725 1.00 0.00 O ATOM 587 CB SER A 47 -17.037 0.817 1.434 1.00 0.00 C ATOM 588 OG SER A 47 -17.739 1.828 2.125 1.00 0.00 O ATOM 0 H SER A 47 -15.221 -0.849 0.834 1.00 0.00 H new ATOM 0 HA SER A 47 -16.285 0.224 3.352 1.00 0.00 H new ATOM 0 HB2 SER A 47 -16.215 1.263 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 47 -17.699 0.345 0.708 1.00 0.00 H new ATOM 0 HG SER A 47 -17.994 1.501 3.013 1.00 0.00 H new ATOM 594 N TYR A 48 -18.309 -1.318 3.618 1.00 0.00 N ATOM 595 CA TYR A 48 -19.294 -2.393 3.806 1.00 0.00 C ATOM 596 C TYR A 48 -20.724 -1.877 3.768 1.00 0.00 C ATOM 597 O TYR A 48 -21.127 -1.042 4.576 1.00 0.00 O ATOM 598 CB TYR A 48 -19.038 -3.183 5.094 1.00 0.00 C ATOM 599 CG TYR A 48 -17.584 -3.221 5.487 1.00 0.00 C ATOM 600 CD1 TYR A 48 -16.632 -3.693 4.599 1.00 0.00 C ATOM 601 CD2 TYR A 48 -17.162 -2.779 6.733 1.00 0.00 C ATOM 602 CE1 TYR A 48 -15.296 -3.731 4.940 1.00 0.00 C ATOM 603 CE2 TYR A 48 -15.827 -2.810 7.084 1.00 0.00 C ATOM 604 CZ TYR A 48 -14.896 -3.287 6.184 1.00 0.00 C ATOM 605 OH TYR A 48 -13.565 -3.324 6.531 1.00 0.00 O ATOM 0 H TYR A 48 -18.303 -0.594 4.337 1.00 0.00 H new ATOM 0 HA TYR A 48 -19.167 -3.073 2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -19.616 -2.740 5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -19.400 -4.203 4.965 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.941 -4.037 3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -17.889 -2.405 7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.567 -4.106 4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -15.513 -2.463 8.057 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.454 -2.975 7.440 1.00 0.00 H new ATOM 615 N CYS A 49 -21.485 -2.405 2.816 1.00 0.00 N ATOM 616 CA CYS A 49 -22.883 -2.033 2.645 1.00 0.00 C ATOM 617 C CYS A 49 -23.733 -2.601 3.770 1.00 0.00 C ATOM 618 O CYS A 49 -24.083 -3.782 3.764 1.00 0.00 O ATOM 619 CB CYS A 49 -23.404 -2.537 1.298 1.00 0.00 C ATOM 620 SG CYS A 49 -25.190 -2.293 1.047 1.00 0.00 S ATOM 0 H CYS A 49 -21.153 -3.098 2.146 1.00 0.00 H new ATOM 0 HA CYS A 49 -22.951 -0.945 2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -22.864 -2.028 0.499 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -23.178 -3.600 1.209 1.00 0.00 H new ATOM 625 N GLU A 50 -24.058 -1.756 4.737 1.00 0.00 N ATOM 626 CA GLU A 50 -24.864 -2.177 5.875 1.00 0.00 C ATOM 627 C GLU A 50 -26.125 -1.331 5.994 1.00 0.00 C ATOM 628 O GLU A 50 -26.424 -0.514 5.123 1.00 0.00 O ATOM 629 CB GLU A 50 -24.049 -2.085 7.165 1.00 0.00 C ATOM 630 CG GLU A 50 -23.833 -3.428 7.844 1.00 0.00 C ATOM 631 CD GLU A 50 -22.403 -3.627 8.306 1.00 0.00 C ATOM 632 OE1 GLU A 50 -21.510 -2.921 7.792 1.00 0.00 O ATOM 633 OE2 GLU A 50 -22.175 -4.489 9.180 1.00 0.00 O ATOM 0 H GLU A 50 -23.777 -0.776 4.757 1.00 0.00 H new ATOM 0 HA GLU A 50 -25.160 -3.213 5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.079 -1.640 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -24.556 -1.414 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.502 -3.509 8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.102 -4.227 7.153 1.00 0.00 H new ATOM 640 N LEU A 51 -26.865 -1.539 7.076 1.00 0.00 N ATOM 641 CA LEU A 51 -28.098 -0.800 7.312 1.00 0.00 C ATOM 642 C LEU A 51 -27.870 0.334 8.305 1.00 0.00 C ATOM 643 O LEU A 51 -27.001 0.248 9.173 1.00 0.00 O ATOM 644 CB LEU A 51 -29.189 -1.740 7.829 1.00 0.00 C ATOM 645 CG LEU A 51 -29.025 -2.189 9.283 1.00 0.00 C ATOM 646 CD1 LEU A 51 -28.545 -3.630 9.347 1.00 0.00 C ATOM 647 CD2 LEU A 51 -30.334 -2.027 10.041 1.00 0.00 C ATOM 0 H LEU A 51 -26.632 -2.214 7.804 1.00 0.00 H new ATOM 0 HA LEU A 51 -28.422 -0.368 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -30.154 -1.243 7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -29.216 -2.625 7.193 1.00 0.00 H new ATOM 0 HG LEU A 51 -28.273 -1.557 9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -28.434 -3.931 10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -29.272 -4.278 8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -27.584 -3.716 8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -30.199 -2.351 11.073 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -30.636 -0.980 10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -31.106 -2.634 9.568 1.00 0.00 H new ATOM 659 N GLY A 52 -28.651 1.400 8.167 1.00 0.00 N ATOM 660 CA GLY A 52 -28.517 2.538 9.057 1.00 0.00 C ATOM 661 C GLY A 52 -29.081 2.263 10.436 1.00 0.00 C ATOM 662 O GLY A 52 -29.041 1.130 10.916 1.00 0.00 O ATOM 0 H GLY A 52 -29.375 1.496 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -27.464 2.805 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -29.028 3.397 8.623 1.00 0.00 H new ATOM 666 N SER A 53 -29.610 3.302 11.074 1.00 0.00 N ATOM 667 CA SER A 53 -30.182 3.168 12.408 1.00 0.00 C ATOM 668 C SER A 53 -31.671 2.843 12.333 1.00 0.00 C ATOM 669 O SER A 53 -32.184 2.055 13.127 1.00 0.00 O ATOM 670 CB SER A 53 -29.970 4.455 13.208 1.00 0.00 C ATOM 671 OG SER A 53 -29.606 4.170 14.547 1.00 0.00 O ATOM 0 H SER A 53 -29.654 4.245 10.689 1.00 0.00 H new ATOM 0 HA SER A 53 -29.674 2.346 12.912 1.00 0.00 H new ATOM 0 HB2 SER A 53 -29.192 5.056 12.737 1.00 0.00 H new ATOM 0 HB3 SER A 53 -30.884 5.049 13.195 1.00 0.00 H new ATOM 0 HG SER A 53 -29.475 5.009 15.036 1.00 0.00 H new ATOM 677 N THR A 54 -32.359 3.454 11.374 1.00 0.00 N ATOM 678 CA THR A 54 -33.789 3.228 11.198 1.00 0.00 C ATOM 679 C THR A 54 -34.053 2.283 10.030 1.00 0.00 C ATOM 680 O THR A 54 -34.928 2.534 9.202 1.00 0.00 O ATOM 681 CB THR A 54 -34.513 4.556 10.966 1.00 0.00 C ATOM 682 OG1 THR A 54 -34.000 5.212 9.821 1.00 0.00 O ATOM 683 CG2 THR A 54 -34.403 5.511 12.133 1.00 0.00 C ATOM 0 H THR A 54 -31.950 4.109 10.707 1.00 0.00 H new ATOM 0 HA THR A 54 -34.171 2.767 12.109 1.00 0.00 H new ATOM 0 HB THR A 54 -35.563 4.294 10.833 1.00 0.00 H new ATOM 0 HG1 THR A 54 -34.476 6.058 9.688 1.00 0.00 H new ATOM 0 HG21 THR A 54 -34.938 6.432 11.901 1.00 0.00 H new ATOM 0 HG22 THR A 54 -34.838 5.052 13.021 1.00 0.00 H new ATOM 0 HG23 THR A 54 -33.353 5.739 12.319 1.00 0.00 H new ATOM 691 N GLY A 55 -33.294 1.193 9.973 1.00 0.00 N ATOM 692 CA GLY A 55 -33.466 0.225 8.907 1.00 0.00 C ATOM 693 C GLY A 55 -33.164 0.804 7.538 1.00 0.00 C ATOM 694 O GLY A 55 -33.604 0.270 6.520 1.00 0.00 O ATOM 0 H GLY A 55 -32.563 0.964 10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -32.813 -0.629 9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -34.490 -0.148 8.922 1.00 0.00 H new ATOM 698 N SER A 56 -32.411 1.899 7.513 1.00 0.00 N ATOM 699 CA SER A 56 -32.048 2.549 6.260 1.00 0.00 C ATOM 700 C SER A 56 -30.851 1.858 5.616 1.00 0.00 C ATOM 701 O SER A 56 -30.529 0.716 5.947 1.00 0.00 O ATOM 702 CB SER A 56 -31.727 4.025 6.504 1.00 0.00 C ATOM 703 OG SER A 56 -32.461 4.860 5.626 1.00 0.00 O ATOM 0 H SER A 56 -32.040 2.355 8.347 1.00 0.00 H new ATOM 0 HA SER A 56 -32.897 2.474 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 56 -31.960 4.285 7.537 1.00 0.00 H new ATOM 0 HB3 SER A 56 -30.659 4.196 6.365 1.00 0.00 H new ATOM 0 HG SER A 56 -32.239 5.798 5.804 1.00 0.00 H new ATOM 709 N MET A 57 -30.197 2.555 4.695 1.00 0.00 N ATOM 710 CA MET A 57 -29.025 2.013 4.016 1.00 0.00 C ATOM 711 C MET A 57 -27.823 2.922 4.236 1.00 0.00 C ATOM 712 O MET A 57 -27.949 4.146 4.233 1.00 0.00 O ATOM 713 CB MET A 57 -29.271 1.838 2.508 1.00 0.00 C ATOM 714 CG MET A 57 -30.732 1.914 2.081 1.00 0.00 C ATOM 715 SD MET A 57 -31.152 0.701 0.816 1.00 0.00 S ATOM 716 CE MET A 57 -31.982 1.738 -0.385 1.00 0.00 C ATOM 0 H MET A 57 -30.458 3.496 4.401 1.00 0.00 H new ATOM 0 HA MET A 57 -28.825 1.030 4.442 1.00 0.00 H new ATOM 0 HB2 MET A 57 -28.711 2.605 1.972 1.00 0.00 H new ATOM 0 HB3 MET A 57 -28.867 0.874 2.199 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.369 1.760 2.952 1.00 0.00 H new ATOM 0 HG3 MET A 57 -30.944 2.914 1.704 1.00 0.00 H new ATOM 0 HE1 MET A 57 -32.303 1.130 -1.231 1.00 0.00 H new ATOM 0 HE2 MET A 57 -32.852 2.205 0.077 1.00 0.00 H new ATOM 0 HE3 MET A 57 -31.297 2.511 -0.733 1.00 0.00 H new ATOM 726 N VAL A 58 -26.661 2.316 4.434 1.00 0.00 N ATOM 727 CA VAL A 58 -25.438 3.069 4.661 1.00 0.00 C ATOM 728 C VAL A 58 -24.221 2.287 4.188 1.00 0.00 C ATOM 729 O VAL A 58 -24.331 1.123 3.801 1.00 0.00 O ATOM 730 CB VAL A 58 -25.260 3.419 6.148 1.00 0.00 C ATOM 731 CG1 VAL A 58 -26.094 4.636 6.517 1.00 0.00 C ATOM 732 CG2 VAL A 58 -25.629 2.229 7.014 1.00 0.00 C ATOM 0 H VAL A 58 -26.540 1.303 4.442 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.523 3.992 4.087 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.213 3.663 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -25.954 4.867 7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -25.780 5.488 5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -27.147 4.426 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -25.499 2.489 8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -26.669 1.956 6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -24.985 1.385 6.767 1.00 0.00 H new ATOM 742 N TRP A 59 -23.061 2.927 4.232 1.00 0.00 N ATOM 743 CA TRP A 59 -21.827 2.292 3.798 1.00 0.00 C ATOM 744 C TRP A 59 -20.751 2.373 4.877 1.00 0.00 C ATOM 745 O TRP A 59 -20.381 3.460 5.321 1.00 0.00 O ATOM 746 CB TRP A 59 -21.321 2.956 2.520 1.00 0.00 C ATOM 747 CG TRP A 59 -22.003 2.479 1.273 1.00 0.00 C ATOM 748 CD1 TRP A 59 -23.027 3.095 0.612 1.00 0.00 C ATOM 749 CD2 TRP A 59 -21.674 1.313 0.508 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.368 2.375 -0.507 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.550 1.275 -0.594 1.00 0.00 C ATOM 752 CE3 TRP A 59 -20.729 0.292 0.654 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -22.504 0.253 -1.543 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -20.688 -0.719 -0.286 1.00 0.00 C ATOM 755 CH2 TRP A 59 -21.567 -0.730 -1.371 1.00 0.00 C ATOM 0 H TRP A 59 -22.950 3.885 4.564 1.00 0.00 H new ATOM 0 HA TRP A 59 -22.041 1.240 3.607 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.455 4.034 2.605 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.250 2.775 2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.500 4.015 0.924 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -24.108 2.618 -1.166 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -20.043 0.294 1.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.183 0.238 -2.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -19.965 -1.514 -0.180 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.506 -1.533 -2.091 1.00 0.00 H new ATOM 766 N ASN A 60 -20.239 1.215 5.277 1.00 0.00 N ATOM 767 CA ASN A 60 -19.182 1.141 6.279 1.00 0.00 C ATOM 768 C ASN A 60 -17.874 1.675 5.710 1.00 0.00 C ATOM 769 O ASN A 60 -17.760 1.839 4.501 1.00 0.00 O ATOM 770 CB ASN A 60 -19.000 -0.300 6.728 1.00 0.00 C ATOM 771 CG ASN A 60 -19.725 -0.607 8.016 1.00 0.00 C ATOM 772 OD1 ASN A 60 -19.163 -1.211 8.929 1.00 0.00 O ATOM 773 ND2 ASN A 60 -20.974 -0.188 8.100 1.00 0.00 N ATOM 0 H ASN A 60 -20.541 0.309 4.920 1.00 0.00 H new ATOM 0 HA ASN A 60 -19.466 1.753 7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.360 -0.968 5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.937 -0.504 6.857 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.514 -0.361 8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.399 0.309 7.317 1.00 0.00 H new ATOM 780 N PRO A 61 -16.874 1.940 6.583 1.00 0.00 N ATOM 781 CA PRO A 61 -15.562 2.475 6.220 1.00 0.00 C ATOM 782 C PRO A 61 -15.178 2.250 4.762 1.00 0.00 C ATOM 783 O PRO A 61 -14.675 1.190 4.396 1.00 0.00 O ATOM 784 CB PRO A 61 -14.642 1.702 7.163 1.00 0.00 C ATOM 785 CG PRO A 61 -15.493 1.340 8.352 1.00 0.00 C ATOM 786 CD PRO A 61 -16.924 1.710 8.024 1.00 0.00 C ATOM 0 HA PRO A 61 -15.516 3.560 6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.245 0.810 6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.788 2.309 7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -15.414 0.275 8.569 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -15.154 1.872 9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -17.618 0.911 8.283 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.246 2.600 8.565 1.00 0.00 H new ATOM 794 N GLU A 62 -15.401 3.274 3.940 1.00 0.00 N ATOM 795 CA GLU A 62 -15.124 3.188 2.507 1.00 0.00 C ATOM 796 C GLU A 62 -13.743 3.733 2.157 1.00 0.00 C ATOM 797 O GLU A 62 -12.819 2.967 1.894 1.00 0.00 O ATOM 798 CB GLU A 62 -16.189 3.939 1.683 1.00 0.00 C ATOM 799 CG GLU A 62 -17.380 4.449 2.486 1.00 0.00 C ATOM 800 CD GLU A 62 -17.157 5.843 3.040 1.00 0.00 C ATOM 801 OE1 GLU A 62 -18.006 6.311 3.827 1.00 0.00 O ATOM 802 OE2 GLU A 62 -16.134 6.466 2.686 1.00 0.00 O ATOM 0 H GLU A 62 -15.773 4.174 4.242 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.154 2.128 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.714 4.786 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.555 3.276 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.266 4.452 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.579 3.763 3.309 1.00 0.00 H new ATOM 809 N ALA A 63 -13.629 5.058 2.102 1.00 0.00 N ATOM 810 CA ALA A 63 -12.386 5.713 1.700 1.00 0.00 C ATOM 811 C ALA A 63 -11.345 5.734 2.820 1.00 0.00 C ATOM 812 O ALA A 63 -11.462 6.513 3.766 1.00 0.00 O ATOM 813 CB ALA A 63 -12.676 7.133 1.239 1.00 0.00 C ATOM 0 H ALA A 63 -14.386 5.702 2.332 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.966 5.131 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.745 7.616 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.360 7.108 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.131 7.695 2.055 1.00 0.00 H new ATOM 819 N PRO A 64 -10.272 4.928 2.695 1.00 0.00 N ATOM 820 CA PRO A 64 -9.183 4.897 3.662 1.00 0.00 C ATOM 821 C PRO A 64 -8.127 5.948 3.331 1.00 0.00 C ATOM 822 O PRO A 64 -8.415 6.926 2.641 1.00 0.00 O ATOM 823 CB PRO A 64 -8.604 3.479 3.500 1.00 0.00 C ATOM 824 CG PRO A 64 -9.332 2.860 2.343 1.00 0.00 C ATOM 825 CD PRO A 64 -10.010 3.983 1.611 1.00 0.00 C ATOM 0 HA PRO A 64 -9.513 5.114 4.678 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.531 3.516 3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.747 2.894 4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.639 2.333 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.061 2.128 2.691 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.372 4.413 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.928 3.657 1.121 1.00 0.00 H new ATOM 833 N ILE A 65 -6.899 5.733 3.790 1.00 0.00 N ATOM 834 CA ILE A 65 -5.812 6.660 3.504 1.00 0.00 C ATOM 835 C ILE A 65 -5.115 6.286 2.203 1.00 0.00 C ATOM 836 O ILE A 65 -5.331 5.207 1.658 1.00 0.00 O ATOM 837 CB ILE A 65 -4.760 6.688 4.626 1.00 0.00 C ATOM 838 CG1 ILE A 65 -5.403 6.423 5.987 1.00 0.00 C ATOM 839 CG2 ILE A 65 -4.032 8.019 4.630 1.00 0.00 C ATOM 840 CD1 ILE A 65 -6.488 7.414 6.350 1.00 0.00 C ATOM 0 H ILE A 65 -6.633 4.929 4.359 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.265 7.648 3.423 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.037 5.894 4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.825 5.418 5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.630 6.446 6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.290 8.026 5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.534 8.164 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.748 8.825 4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.898 7.163 7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.067 8.419 6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.281 7.375 5.603 1.00 0.00 H new ATOM 852 N CYS A 66 -4.259 7.175 1.724 1.00 0.00 N ATOM 853 CA CYS A 66 -3.516 6.935 0.499 1.00 0.00 C ATOM 854 C CYS A 66 -2.436 7.989 0.309 1.00 0.00 C ATOM 855 O CYS A 66 -2.681 9.183 0.478 1.00 0.00 O ATOM 856 CB CYS A 66 -4.456 6.939 -0.704 1.00 0.00 C ATOM 857 SG CYS A 66 -4.914 5.279 -1.299 1.00 0.00 S ATOM 0 H CYS A 66 -4.062 8.072 2.168 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.042 5.957 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.364 7.481 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.983 7.487 -1.519 1.00 0.00 H new ATOM 862 N GLU A 67 -1.241 7.539 -0.044 1.00 0.00 N ATOM 863 CA GLU A 67 -0.123 8.441 -0.266 1.00 0.00 C ATOM 864 C GLU A 67 0.891 7.812 -1.209 1.00 0.00 C ATOM 865 O GLU A 67 0.689 6.704 -1.704 1.00 0.00 O ATOM 866 CB GLU A 67 0.549 8.794 1.062 1.00 0.00 C ATOM 867 CG GLU A 67 1.168 10.182 1.078 1.00 0.00 C ATOM 868 CD GLU A 67 0.842 10.953 2.342 1.00 0.00 C ATOM 869 OE1 GLU A 67 1.736 11.660 2.853 1.00 0.00 O ATOM 870 OE2 GLU A 67 -0.307 10.850 2.821 1.00 0.00 O ATOM 0 H GLU A 67 -1.021 6.553 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.506 9.354 -0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.187 8.724 1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.323 8.057 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.250 10.094 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.814 10.743 0.213 1.00 0.00 H new ATOM 877 N SER A 68 1.981 8.524 -1.454 1.00 0.00 N ATOM 878 CA SER A 68 3.021 8.029 -2.337 1.00 0.00 C ATOM 879 C SER A 68 3.845 6.950 -1.667 1.00 0.00 C ATOM 880 O SER A 68 4.020 6.934 -0.449 1.00 0.00 O ATOM 881 CB SER A 68 3.919 9.160 -2.826 1.00 0.00 C ATOM 882 OG SER A 68 5.030 9.343 -1.966 1.00 0.00 O ATOM 0 H SER A 68 2.166 9.444 -1.054 1.00 0.00 H new ATOM 0 HA SER A 68 2.527 7.590 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.269 8.939 -3.834 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.345 10.085 -2.883 1.00 0.00 H new ATOM 0 HG SER A 68 5.589 10.073 -2.305 1.00 0.00 H new ATOM 888 N VAL A 69 4.303 6.024 -2.486 1.00 0.00 N ATOM 889 CA VAL A 69 5.093 4.911 -2.041 1.00 0.00 C ATOM 890 C VAL A 69 6.399 5.403 -1.417 1.00 0.00 C ATOM 891 O VAL A 69 7.343 5.757 -2.123 1.00 0.00 O ATOM 892 CB VAL A 69 5.320 3.976 -3.253 1.00 0.00 C ATOM 893 CG1 VAL A 69 4.265 2.887 -3.255 1.00 0.00 C ATOM 894 CG2 VAL A 69 6.719 3.392 -3.311 1.00 0.00 C ATOM 0 H VAL A 69 4.130 6.031 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 69 4.580 4.349 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 69 5.223 4.581 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.424 2.228 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.336 2.310 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.276 3.339 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.808 2.747 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.448 4.200 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.908 2.809 -2.409 1.00 0.00 H new ATOM 904 N LYS A 70 6.437 5.431 -0.091 1.00 0.00 N ATOM 905 CA LYS A 70 7.611 5.916 0.615 1.00 0.00 C ATOM 906 C LYS A 70 8.419 4.784 1.240 1.00 0.00 C ATOM 907 O LYS A 70 7.935 4.071 2.119 1.00 0.00 O ATOM 908 CB LYS A 70 7.212 6.914 1.700 1.00 0.00 C ATOM 909 CG LYS A 70 7.086 8.341 1.197 1.00 0.00 C ATOM 910 CD LYS A 70 8.272 9.188 1.630 1.00 0.00 C ATOM 911 CE LYS A 70 8.504 10.349 0.679 1.00 0.00 C ATOM 912 NZ LYS A 70 7.857 11.601 1.161 1.00 0.00 N ATOM 0 H LYS A 70 5.673 5.125 0.512 1.00 0.00 H new ATOM 0 HA LYS A 70 8.240 6.409 -0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.261 6.605 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.952 6.884 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.015 8.340 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.164 8.782 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.100 9.570 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.167 8.567 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.575 10.515 0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.113 10.095 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.039 12.369 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.831 11.451 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.248 11.859 2.090 1.00 0.00 H new ATOM 926 N CYS A 71 9.672 4.661 0.813 1.00 0.00 N ATOM 927 CA CYS A 71 10.586 3.670 1.372 1.00 0.00 C ATOM 928 C CYS A 71 11.663 4.374 2.182 1.00 0.00 C ATOM 929 O CYS A 71 12.416 5.185 1.649 1.00 0.00 O ATOM 930 CB CYS A 71 11.250 2.826 0.277 1.00 0.00 C ATOM 931 SG CYS A 71 10.426 2.870 -1.353 1.00 0.00 S ATOM 0 H CYS A 71 10.079 5.239 0.078 1.00 0.00 H new ATOM 0 HA CYS A 71 10.005 3.003 2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.279 3.165 0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.293 1.791 0.616 1.00 0.00 H new ATOM 936 N GLN A 72 11.733 4.070 3.468 1.00 0.00 N ATOM 937 CA GLN A 72 12.721 4.697 4.328 1.00 0.00 C ATOM 938 C GLN A 72 14.124 4.211 3.970 1.00 0.00 C ATOM 939 O GLN A 72 14.361 3.749 2.854 1.00 0.00 O ATOM 940 CB GLN A 72 12.395 4.425 5.801 1.00 0.00 C ATOM 941 CG GLN A 72 12.898 3.088 6.314 1.00 0.00 C ATOM 942 CD GLN A 72 11.890 2.379 7.196 1.00 0.00 C ATOM 943 OE1 GLN A 72 12.111 2.203 8.395 1.00 0.00 O ATOM 944 NE2 GLN A 72 10.775 1.965 6.605 1.00 0.00 N ATOM 0 H GLN A 72 11.123 3.399 3.935 1.00 0.00 H new ATOM 0 HA GLN A 72 12.691 5.775 4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.826 5.220 6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.314 4.470 5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.145 2.449 5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.819 3.243 6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.633 2.132 5.609 1.00 0.00 H new ATOM 0 HE22 GLN A 72 10.060 1.480 7.147 1.00 0.00 H new ATOM 953 N SER A 73 15.051 4.324 4.913 1.00 0.00 N ATOM 954 CA SER A 73 16.421 3.898 4.677 1.00 0.00 C ATOM 955 C SER A 73 16.455 2.468 4.139 1.00 0.00 C ATOM 956 O SER A 73 15.725 1.601 4.620 1.00 0.00 O ATOM 957 CB SER A 73 17.236 3.994 5.966 1.00 0.00 C ATOM 958 OG SER A 73 18.345 3.112 5.937 1.00 0.00 O ATOM 0 H SER A 73 14.879 4.705 5.843 1.00 0.00 H new ATOM 0 HA SER A 73 16.862 4.559 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.585 5.017 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 73 16.601 3.757 6.820 1.00 0.00 H new ATOM 0 HG SER A 73 19.085 3.533 5.451 1.00 0.00 H new ATOM 964 N PRO A 74 17.290 2.205 3.121 1.00 0.00 N ATOM 965 CA PRO A 74 17.391 0.876 2.511 1.00 0.00 C ATOM 966 C PRO A 74 17.701 -0.210 3.537 1.00 0.00 C ATOM 967 O PRO A 74 18.187 0.077 4.631 1.00 0.00 O ATOM 968 CB PRO A 74 18.538 1.023 1.508 1.00 0.00 C ATOM 969 CG PRO A 74 18.585 2.480 1.207 1.00 0.00 C ATOM 970 CD PRO A 74 18.190 3.177 2.477 1.00 0.00 C ATOM 0 HA PRO A 74 16.453 0.567 2.051 1.00 0.00 H new ATOM 0 HB2 PRO A 74 19.481 0.674 1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 74 18.355 0.437 0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 74 19.584 2.781 0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 74 17.904 2.733 0.395 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.055 3.401 3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.687 4.123 2.279 1.00 0.00 H new ATOM 978 N PRO A 75 17.400 -1.475 3.202 1.00 0.00 N ATOM 979 CA PRO A 75 17.627 -2.605 4.103 1.00 0.00 C ATOM 980 C PRO A 75 18.987 -2.546 4.784 1.00 0.00 C ATOM 981 O PRO A 75 19.917 -1.908 4.289 1.00 0.00 O ATOM 982 CB PRO A 75 17.541 -3.810 3.172 1.00 0.00 C ATOM 983 CG PRO A 75 16.595 -3.384 2.102 1.00 0.00 C ATOM 984 CD PRO A 75 16.807 -1.903 1.920 1.00 0.00 C ATOM 0 HA PRO A 75 16.909 -2.627 4.923 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.518 -4.065 2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.176 -4.693 3.697 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.789 -3.922 1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.564 -3.598 2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 75 17.471 -1.694 1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.869 -1.386 1.720 1.00 0.00 H new ATOM 992 N SER A 76 19.091 -3.208 5.929 1.00 0.00 N ATOM 993 CA SER A 76 20.333 -3.237 6.689 1.00 0.00 C ATOM 994 C SER A 76 21.052 -4.567 6.499 1.00 0.00 C ATOM 995 O SER A 76 20.833 -5.515 7.253 1.00 0.00 O ATOM 996 CB SER A 76 20.051 -3.004 8.174 1.00 0.00 C ATOM 997 OG SER A 76 19.259 -4.048 8.713 1.00 0.00 O ATOM 0 H SER A 76 18.327 -3.734 6.353 1.00 0.00 H new ATOM 0 HA SER A 76 20.977 -2.439 6.319 1.00 0.00 H new ATOM 0 HB2 SER A 76 20.992 -2.938 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.539 -2.051 8.305 1.00 0.00 H new ATOM 0 HG SER A 76 19.558 -4.907 8.349 1.00 0.00 H new ATOM 1003 N ILE A 77 21.910 -4.630 5.488 1.00 0.00 N ATOM 1004 CA ILE A 77 22.653 -5.849 5.195 1.00 0.00 C ATOM 1005 C ILE A 77 23.693 -6.131 6.273 1.00 0.00 C ATOM 1006 O ILE A 77 23.869 -5.343 7.202 1.00 0.00 O ATOM 1007 CB ILE A 77 23.353 -5.767 3.824 1.00 0.00 C ATOM 1008 CG1 ILE A 77 24.418 -4.667 3.824 1.00 0.00 C ATOM 1009 CG2 ILE A 77 22.330 -5.521 2.726 1.00 0.00 C ATOM 1010 CD1 ILE A 77 25.526 -4.901 2.821 1.00 0.00 C ATOM 0 H ILE A 77 22.108 -3.852 4.858 1.00 0.00 H new ATOM 0 HA ILE A 77 21.929 -6.663 5.173 1.00 0.00 H new ATOM 0 HB ILE A 77 23.849 -6.718 3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 77 23.941 -3.710 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.851 -4.592 4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 77 22.837 -5.465 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 77 21.610 -6.339 2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 77 21.810 -4.583 2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 77 26.245 -4.083 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 77 26.028 -5.842 3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 77 25.104 -4.947 1.817 1.00 0.00 H new ATOM 1022 N SER A 78 24.377 -7.262 6.145 1.00 0.00 N ATOM 1023 CA SER A 78 25.398 -7.647 7.109 1.00 0.00 C ATOM 1024 C SER A 78 26.777 -7.190 6.654 1.00 0.00 C ATOM 1025 O SER A 78 27.084 -7.201 5.463 1.00 0.00 O ATOM 1026 CB SER A 78 25.395 -9.164 7.312 1.00 0.00 C ATOM 1027 OG SER A 78 24.101 -9.705 7.108 1.00 0.00 O ATOM 0 H SER A 78 24.243 -7.927 5.384 1.00 0.00 H new ATOM 0 HA SER A 78 25.166 -7.159 8.056 1.00 0.00 H new ATOM 0 HB2 SER A 78 26.099 -9.628 6.621 1.00 0.00 H new ATOM 0 HB3 SER A 78 25.736 -9.399 8.320 1.00 0.00 H new ATOM 0 HG SER A 78 24.127 -10.675 7.242 1.00 0.00 H new ATOM 1033 N ASN A 79 27.601 -6.783 7.610 1.00 0.00 N ATOM 1034 CA ASN A 79 28.950 -6.330 7.311 1.00 0.00 C ATOM 1035 C ASN A 79 28.941 -5.245 6.243 1.00 0.00 C ATOM 1036 O ASN A 79 29.898 -5.103 5.482 1.00 0.00 O ATOM 1037 CB ASN A 79 29.806 -7.509 6.848 1.00 0.00 C ATOM 1038 CG ASN A 79 29.600 -8.741 7.702 1.00 0.00 C ATOM 1039 OD1 ASN A 79 30.034 -8.793 8.853 1.00 0.00 O ATOM 1040 ND2 ASN A 79 28.939 -9.743 7.141 1.00 0.00 N ATOM 0 H ASN A 79 27.357 -6.758 8.600 1.00 0.00 H new ATOM 0 HA ASN A 79 29.376 -5.908 8.221 1.00 0.00 H new ATOM 0 HB2 ASN A 79 29.565 -7.744 5.811 1.00 0.00 H new ATOM 0 HB3 ASN A 79 30.858 -7.224 6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 79 28.772 -10.601 7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 79 28.597 -9.656 6.184 1.00 0.00 H new ATOM 1047 N GLY A 80 27.859 -4.475 6.193 1.00 0.00 N ATOM 1048 CA GLY A 80 27.760 -3.415 5.206 1.00 0.00 C ATOM 1049 C GLY A 80 26.703 -2.379 5.540 1.00 0.00 C ATOM 1050 O GLY A 80 26.171 -2.353 6.650 1.00 0.00 O ATOM 0 H GLY A 80 27.054 -4.564 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 80 28.727 -2.921 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 80 27.534 -3.853 4.234 1.00 0.00 H new ATOM 1054 N ARG A 81 26.414 -1.516 4.571 1.00 0.00 N ATOM 1055 CA ARG A 81 25.427 -0.460 4.739 1.00 0.00 C ATOM 1056 C ARG A 81 25.015 0.104 3.387 1.00 0.00 C ATOM 1057 O ARG A 81 25.419 -0.404 2.341 1.00 0.00 O ATOM 1058 CB ARG A 81 25.981 0.657 5.624 1.00 0.00 C ATOM 1059 CG ARG A 81 27.465 0.912 5.438 1.00 0.00 C ATOM 1060 CD ARG A 81 28.042 1.659 6.626 1.00 0.00 C ATOM 1061 NE ARG A 81 28.367 3.045 6.299 1.00 0.00 N ATOM 1062 CZ ARG A 81 27.471 4.027 6.280 1.00 0.00 C ATOM 1063 NH1 ARG A 81 27.846 5.262 5.973 1.00 0.00 N ATOM 1064 NH2 ARG A 81 26.201 3.777 6.568 1.00 0.00 N ATOM 0 H ARG A 81 26.856 -1.530 3.652 1.00 0.00 H new ATOM 0 HA ARG A 81 24.549 -0.888 5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 81 25.435 1.577 5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 81 25.794 0.406 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 81 27.987 -0.036 5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 81 27.627 1.489 4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 81 27.327 1.639 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 81 28.941 1.149 6.973 1.00 0.00 H new ATOM 0 HE ARG A 81 29.335 3.272 6.073 1.00 0.00 H new ATOM 0 HH11 ARG A 81 28.822 5.458 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 81 27.158 6.015 5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 81 25.909 2.829 6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 81 25.516 4.533 6.552 1.00 0.00 H new ATOM 1078 N HIS A 82 24.212 1.157 3.415 1.00 0.00 N ATOM 1079 CA HIS A 82 23.731 1.779 2.188 1.00 0.00 C ATOM 1080 C HIS A 82 24.297 3.185 2.013 1.00 0.00 C ATOM 1081 O HIS A 82 24.864 3.761 2.941 1.00 0.00 O ATOM 1082 CB HIS A 82 22.205 1.834 2.189 1.00 0.00 C ATOM 1083 CG HIS A 82 21.621 2.170 3.526 1.00 0.00 C ATOM 1084 ND1 HIS A 82 21.324 1.217 4.477 1.00 0.00 N ATOM 1085 CD2 HIS A 82 21.287 3.363 4.073 1.00 0.00 C ATOM 1086 CE1 HIS A 82 20.829 1.808 5.550 1.00 0.00 C ATOM 1087 NE2 HIS A 82 20.797 3.109 5.330 1.00 0.00 N ATOM 0 H HIS A 82 23.879 1.599 4.272 1.00 0.00 H new ATOM 0 HA HIS A 82 24.074 1.169 1.352 1.00 0.00 H new ATOM 0 HB2 HIS A 82 21.875 2.575 1.461 1.00 0.00 H new ATOM 0 HB3 HIS A 82 21.814 0.870 1.862 1.00 0.00 H new ATOM 0 HD1 HIS A 82 21.464 0.213 4.369 1.00 0.00 H new ATOM 0 HD2 HIS A 82 21.387 4.332 3.608 1.00 0.00 H new ATOM 0 HE1 HIS A 82 20.506 1.311 6.453 1.00 0.00 H new ATOM 1096 N ASN A 83 24.134 3.729 0.810 1.00 0.00 N ATOM 1097 CA ASN A 83 24.602 5.073 0.498 1.00 0.00 C ATOM 1098 C ASN A 83 23.492 6.090 0.693 1.00 0.00 C ATOM 1099 O ASN A 83 23.558 7.196 0.157 1.00 0.00 O ATOM 1100 CB ASN A 83 25.066 5.148 -0.954 1.00 0.00 C ATOM 1101 CG ASN A 83 26.551 4.902 -1.113 1.00 0.00 C ATOM 1102 OD1 ASN A 83 27.317 4.994 -0.153 1.00 0.00 O ATOM 1103 ND2 ASN A 83 26.964 4.581 -2.333 1.00 0.00 N ATOM 0 H ASN A 83 23.678 3.254 0.031 1.00 0.00 H new ATOM 0 HA ASN A 83 25.429 5.298 1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 83 24.516 4.414 -1.544 1.00 0.00 H new ATOM 0 HB3 ASN A 83 24.821 6.130 -1.358 1.00 0.00 H new ATOM 0 HD21 ASN A 83 27.953 4.399 -2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 83 26.293 4.517 -3.098 1.00 0.00 H new ATOM 1110 N GLY A 84 22.449 5.705 1.416 1.00 0.00 N ATOM 1111 CA GLY A 84 21.321 6.589 1.584 1.00 0.00 C ATOM 1112 C GLY A 84 21.724 7.989 1.994 1.00 0.00 C ATOM 1113 O GLY A 84 22.597 8.171 2.842 1.00 0.00 O ATOM 0 H GLY A 84 22.367 4.803 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.761 6.637 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.650 6.175 2.337 1.00 0.00 H new ATOM 1117 N TYR A 85 21.099 8.978 1.369 1.00 0.00 N ATOM 1118 CA TYR A 85 21.403 10.373 1.656 1.00 0.00 C ATOM 1119 C TYR A 85 20.267 11.032 2.423 1.00 0.00 C ATOM 1120 O TYR A 85 20.495 11.852 3.311 1.00 0.00 O ATOM 1121 CB TYR A 85 21.665 11.135 0.356 1.00 0.00 C ATOM 1122 CG TYR A 85 22.553 10.391 -0.614 1.00 0.00 C ATOM 1123 CD1 TYR A 85 22.014 9.516 -1.548 1.00 0.00 C ATOM 1124 CD2 TYR A 85 23.932 10.562 -0.595 1.00 0.00 C ATOM 1125 CE1 TYR A 85 22.822 8.834 -2.437 1.00 0.00 C ATOM 1126 CE2 TYR A 85 24.747 9.883 -1.481 1.00 0.00 C ATOM 1127 CZ TYR A 85 24.187 9.020 -2.399 1.00 0.00 C ATOM 1128 OH TYR A 85 24.995 8.342 -3.283 1.00 0.00 O ATOM 0 H TYR A 85 20.379 8.840 0.660 1.00 0.00 H new ATOM 0 HA TYR A 85 22.299 10.403 2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 85 20.712 11.349 -0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 85 22.125 12.094 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 85 20.945 9.366 -1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 85 24.374 11.236 0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 85 22.386 8.158 -3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 85 25.817 10.028 -1.454 1.00 0.00 H new ATOM 0 HH TYR A 85 25.931 8.586 -3.124 1.00 0.00 H new ATOM 1138 N GLU A 86 19.046 10.661 2.075 1.00 0.00 N ATOM 1139 CA GLU A 86 17.869 11.212 2.721 1.00 0.00 C ATOM 1140 C GLU A 86 17.353 10.277 3.807 1.00 0.00 C ATOM 1141 O GLU A 86 17.961 9.246 4.096 1.00 0.00 O ATOM 1142 CB GLU A 86 16.774 11.462 1.686 1.00 0.00 C ATOM 1143 CG GLU A 86 16.750 12.886 1.161 1.00 0.00 C ATOM 1144 CD GLU A 86 15.439 13.593 1.448 1.00 0.00 C ATOM 1145 OE1 GLU A 86 14.503 13.463 0.632 1.00 0.00 O ATOM 1146 OE2 GLU A 86 15.349 14.277 2.489 1.00 0.00 O ATOM 0 H GLU A 86 18.845 9.977 1.345 1.00 0.00 H new ATOM 0 HA GLU A 86 18.148 12.157 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.913 10.777 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.806 11.231 2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.568 13.449 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.925 12.875 0.085 1.00 0.00 H new ATOM 1153 N ASP A 87 16.229 10.646 4.407 1.00 0.00 N ATOM 1154 CA ASP A 87 15.621 9.837 5.456 1.00 0.00 C ATOM 1155 C ASP A 87 14.533 8.938 4.883 1.00 0.00 C ATOM 1156 O ASP A 87 14.216 7.891 5.447 1.00 0.00 O ATOM 1157 CB ASP A 87 15.037 10.731 6.551 1.00 0.00 C ATOM 1158 CG ASP A 87 15.915 10.780 7.785 1.00 0.00 C ATOM 1159 OD1 ASP A 87 15.585 10.095 8.776 1.00 0.00 O ATOM 1160 OD2 ASP A 87 16.935 11.501 7.760 1.00 0.00 O ATOM 0 H ASP A 87 15.719 11.501 4.185 1.00 0.00 H new ATOM 0 HA ASP A 87 16.398 9.208 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.906 11.740 6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.048 10.365 6.826 1.00 0.00 H new ATOM 1165 N PHE A 88 13.970 9.351 3.754 1.00 0.00 N ATOM 1166 CA PHE A 88 12.923 8.585 3.096 1.00 0.00 C ATOM 1167 C PHE A 88 13.170 8.512 1.593 1.00 0.00 C ATOM 1168 O PHE A 88 14.041 9.201 1.063 1.00 0.00 O ATOM 1169 CB PHE A 88 11.557 9.214 3.368 1.00 0.00 C ATOM 1170 CG PHE A 88 10.849 8.624 4.547 1.00 0.00 C ATOM 1171 CD1 PHE A 88 9.877 7.657 4.367 1.00 0.00 C ATOM 1172 CD2 PHE A 88 11.149 9.040 5.833 1.00 0.00 C ATOM 1173 CE1 PHE A 88 9.218 7.111 5.447 1.00 0.00 C ATOM 1174 CE2 PHE A 88 10.493 8.498 6.919 1.00 0.00 C ATOM 1175 CZ PHE A 88 9.525 7.530 6.727 1.00 0.00 C ATOM 0 H PHE A 88 14.223 10.215 3.275 1.00 0.00 H new ATOM 0 HA PHE A 88 12.937 7.573 3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.685 10.284 3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.931 9.098 2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.632 7.326 3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.904 9.796 5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.462 6.356 5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.735 8.830 7.918 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.010 7.103 7.575 1.00 0.00 H new ATOM 1185 N TYR A 89 12.405 7.667 0.914 1.00 0.00 N ATOM 1186 CA TYR A 89 12.535 7.513 -0.530 1.00 0.00 C ATOM 1187 C TYR A 89 11.165 7.331 -1.162 1.00 0.00 C ATOM 1188 O TYR A 89 10.201 7.041 -0.466 1.00 0.00 O ATOM 1189 CB TYR A 89 13.445 6.326 -0.861 1.00 0.00 C ATOM 1190 CG TYR A 89 14.853 6.491 -0.341 1.00 0.00 C ATOM 1191 CD1 TYR A 89 15.909 6.722 -1.211 1.00 0.00 C ATOM 1192 CD2 TYR A 89 15.126 6.422 1.020 1.00 0.00 C ATOM 1193 CE1 TYR A 89 17.197 6.878 -0.740 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.410 6.577 1.497 1.00 0.00 C ATOM 1195 CZ TYR A 89 17.441 6.804 0.615 1.00 0.00 C ATOM 1196 OH TYR A 89 18.719 6.961 1.090 1.00 0.00 O ATOM 0 H TYR A 89 11.689 7.078 1.339 1.00 0.00 H new ATOM 0 HA TYR A 89 12.989 8.415 -0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.014 5.418 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.478 6.192 -1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 89 15.720 6.781 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.319 6.244 1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 89 18.009 7.057 -1.429 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.606 6.521 2.558 1.00 0.00 H new ATOM 0 HH TYR A 89 18.699 7.025 2.068 1.00 0.00 H new ATOM 1206 N THR A 90 11.072 7.537 -2.470 1.00 0.00 N ATOM 1207 CA THR A 90 9.789 7.434 -3.157 1.00 0.00 C ATOM 1208 C THR A 90 9.819 6.402 -4.276 1.00 0.00 C ATOM 1209 O THR A 90 10.862 5.824 -4.582 1.00 0.00 O ATOM 1210 CB THR A 90 9.383 8.796 -3.716 1.00 0.00 C ATOM 1211 OG1 THR A 90 10.519 9.509 -4.176 1.00 0.00 O ATOM 1212 CG2 THR A 90 8.676 9.661 -2.701 1.00 0.00 C ATOM 0 H THR A 90 11.861 7.774 -3.072 1.00 0.00 H new ATOM 0 HA THR A 90 9.053 7.103 -2.424 1.00 0.00 H new ATOM 0 HB THR A 90 8.696 8.585 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.238 10.378 -4.532 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.413 10.615 -3.157 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.770 9.158 -2.362 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.334 9.835 -1.850 1.00 0.00 H new ATOM 1220 N ASP A 91 8.657 6.176 -4.879 1.00 0.00 N ATOM 1221 CA ASP A 91 8.524 5.213 -5.958 1.00 0.00 C ATOM 1222 C ASP A 91 9.409 5.581 -7.132 1.00 0.00 C ATOM 1223 O ASP A 91 9.034 6.379 -7.991 1.00 0.00 O ATOM 1224 CB ASP A 91 7.071 5.117 -6.416 1.00 0.00 C ATOM 1225 CG ASP A 91 6.555 6.419 -6.996 1.00 0.00 C ATOM 1226 OD1 ASP A 91 6.422 7.399 -6.233 1.00 0.00 O ATOM 1227 OD2 ASP A 91 6.283 6.459 -8.215 1.00 0.00 O ATOM 0 H ASP A 91 7.789 6.653 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 91 8.842 4.243 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.981 4.329 -7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.446 4.827 -5.571 1.00 0.00 H new ATOM 1232 N GLY A 92 10.584 4.983 -7.161 1.00 0.00 N ATOM 1233 CA GLY A 92 11.510 5.223 -8.244 1.00 0.00 C ATOM 1234 C GLY A 92 12.852 5.748 -7.773 1.00 0.00 C ATOM 1235 O GLY A 92 13.614 6.308 -8.561 1.00 0.00 O ATOM 0 H GLY A 92 10.916 4.331 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.663 4.296 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.070 5.939 -8.939 1.00 0.00 H new ATOM 1239 N SER A 93 13.148 5.571 -6.488 1.00 0.00 N ATOM 1240 CA SER A 93 14.422 6.024 -5.937 1.00 0.00 C ATOM 1241 C SER A 93 15.435 4.889 -5.928 1.00 0.00 C ATOM 1242 O SER A 93 15.065 3.716 -5.938 1.00 0.00 O ATOM 1243 CB SER A 93 14.240 6.568 -4.518 1.00 0.00 C ATOM 1244 OG SER A 93 12.927 7.061 -4.321 1.00 0.00 O ATOM 0 H SER A 93 12.529 5.121 -5.814 1.00 0.00 H new ATOM 0 HA SER A 93 14.795 6.827 -6.573 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.447 5.780 -3.794 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.961 7.365 -4.336 1.00 0.00 H new ATOM 0 HG SER A 93 12.303 6.309 -4.244 1.00 0.00 H new ATOM 1250 N VAL A 94 16.714 5.241 -5.911 1.00 0.00 N ATOM 1251 CA VAL A 94 17.770 4.241 -5.894 1.00 0.00 C ATOM 1252 C VAL A 94 18.944 4.695 -5.033 1.00 0.00 C ATOM 1253 O VAL A 94 19.318 5.868 -5.031 1.00 0.00 O ATOM 1254 CB VAL A 94 18.262 3.914 -7.322 1.00 0.00 C ATOM 1255 CG1 VAL A 94 17.144 3.269 -8.121 1.00 0.00 C ATOM 1256 CG2 VAL A 94 19.484 3.003 -7.293 1.00 0.00 C ATOM 0 H VAL A 94 17.043 6.207 -5.909 1.00 0.00 H new ATOM 0 HA VAL A 94 17.346 3.336 -5.460 1.00 0.00 H new ATOM 0 HB VAL A 94 18.554 4.848 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.499 3.042 -9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.831 2.348 -7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.298 3.954 -8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.805 2.792 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 94 20.292 3.496 -6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.230 2.069 -6.792 1.00 0.00 H new ATOM 1266 N VAL A 95 19.523 3.744 -4.316 1.00 0.00 N ATOM 1267 CA VAL A 95 20.663 4.007 -3.452 1.00 0.00 C ATOM 1268 C VAL A 95 21.637 2.835 -3.505 1.00 0.00 C ATOM 1269 O VAL A 95 21.232 1.679 -3.627 1.00 0.00 O ATOM 1270 CB VAL A 95 20.226 4.309 -2.005 1.00 0.00 C ATOM 1271 CG1 VAL A 95 21.385 4.262 -1.028 1.00 0.00 C ATOM 1272 CG2 VAL A 95 19.138 3.378 -1.564 1.00 0.00 C ATOM 0 H VAL A 95 19.217 2.771 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 95 21.170 4.899 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 95 19.840 5.328 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 95 21.023 4.482 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 95 21.833 3.269 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 95 22.132 5.002 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.850 3.614 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.274 3.491 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 95 19.497 2.350 -1.612 1.00 0.00 H new ATOM 1282 N THR A 96 22.923 3.152 -3.478 1.00 0.00 N ATOM 1283 CA THR A 96 23.960 2.133 -3.586 1.00 0.00 C ATOM 1284 C THR A 96 24.348 1.580 -2.222 1.00 0.00 C ATOM 1285 O THR A 96 24.297 2.281 -1.218 1.00 0.00 O ATOM 1286 CB THR A 96 25.194 2.709 -4.281 1.00 0.00 C ATOM 1287 OG1 THR A 96 25.184 4.125 -4.228 1.00 0.00 O ATOM 1288 CG2 THR A 96 25.306 2.303 -5.734 1.00 0.00 C ATOM 0 H THR A 96 23.274 4.105 -3.382 1.00 0.00 H new ATOM 0 HA THR A 96 23.556 1.313 -4.180 1.00 0.00 H new ATOM 0 HB THR A 96 26.048 2.300 -3.741 1.00 0.00 H new ATOM 0 HG1 THR A 96 25.890 4.479 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 96 26.203 2.745 -6.167 1.00 0.00 H new ATOM 0 HG22 THR A 96 25.367 1.217 -5.805 1.00 0.00 H new ATOM 0 HG23 THR A 96 24.429 2.654 -6.278 1.00 0.00 H new ATOM 1296 N TYR A 97 24.754 0.318 -2.199 1.00 0.00 N ATOM 1297 CA TYR A 97 25.164 -0.330 -0.964 1.00 0.00 C ATOM 1298 C TYR A 97 26.678 -0.475 -0.901 1.00 0.00 C ATOM 1299 O TYR A 97 27.361 -0.423 -1.923 1.00 0.00 O ATOM 1300 CB TYR A 97 24.501 -1.698 -0.840 1.00 0.00 C ATOM 1301 CG TYR A 97 23.175 -1.650 -0.132 1.00 0.00 C ATOM 1302 CD1 TYR A 97 22.196 -0.750 -0.524 1.00 0.00 C ATOM 1303 CD2 TYR A 97 22.905 -2.494 0.933 1.00 0.00 C ATOM 1304 CE1 TYR A 97 20.982 -0.695 0.120 1.00 0.00 C ATOM 1305 CE2 TYR A 97 21.690 -2.447 1.586 1.00 0.00 C ATOM 1306 CZ TYR A 97 20.731 -1.546 1.177 1.00 0.00 C ATOM 1307 OH TYR A 97 19.521 -1.497 1.825 1.00 0.00 O ATOM 0 H TYR A 97 24.808 -0.278 -3.025 1.00 0.00 H new ATOM 0 HA TYR A 97 24.845 0.296 -0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 97 24.359 -2.118 -1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 97 25.169 -2.371 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 97 22.390 -0.081 -1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 97 23.656 -3.199 1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 97 20.229 0.010 -0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 97 21.492 -3.113 2.413 1.00 0.00 H new ATOM 0 HH TYR A 97 19.670 -1.447 2.792 1.00 0.00 H new ATOM 1317 N SER A 98 27.196 -0.653 0.309 1.00 0.00 N ATOM 1318 CA SER A 98 28.635 -0.801 0.508 1.00 0.00 C ATOM 1319 C SER A 98 28.935 -1.528 1.814 1.00 0.00 C ATOM 1320 O SER A 98 28.145 -1.482 2.753 1.00 0.00 O ATOM 1321 CB SER A 98 29.313 0.568 0.511 1.00 0.00 C ATOM 1322 OG SER A 98 29.276 1.161 -0.775 1.00 0.00 O ATOM 0 H SER A 98 26.644 -0.698 1.165 1.00 0.00 H new ATOM 0 HA SER A 98 29.029 -1.395 -0.317 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.817 1.221 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 98 30.348 0.463 0.836 1.00 0.00 H new ATOM 0 HG SER A 98 28.729 0.611 -1.373 1.00 0.00 H new ATOM 1328 N CYS A 99 30.085 -2.193 1.870 1.00 0.00 N ATOM 1329 CA CYS A 99 30.485 -2.920 3.069 1.00 0.00 C ATOM 1330 C CYS A 99 31.067 -1.969 4.111 1.00 0.00 C ATOM 1331 O CYS A 99 31.472 -0.853 3.787 1.00 0.00 O ATOM 1332 CB CYS A 99 31.504 -4.004 2.720 1.00 0.00 C ATOM 1333 SG CYS A 99 30.937 -5.168 1.437 1.00 0.00 S ATOM 0 H CYS A 99 30.754 -2.243 1.102 1.00 0.00 H new ATOM 0 HA CYS A 99 29.598 -3.393 3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 99 32.425 -3.528 2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 99 31.747 -4.564 3.623 1.00 0.00 H new ATOM 1338 N ASN A 100 31.103 -2.417 5.362 1.00 0.00 N ATOM 1339 CA ASN A 100 31.619 -1.598 6.452 1.00 0.00 C ATOM 1340 C ASN A 100 33.129 -1.762 6.606 1.00 0.00 C ATOM 1341 O ASN A 100 33.894 -0.844 6.311 1.00 0.00 O ATOM 1342 CB ASN A 100 30.921 -1.968 7.762 1.00 0.00 C ATOM 1343 CG ASN A 100 29.412 -1.953 7.638 1.00 0.00 C ATOM 1344 OD1 ASN A 100 28.832 -1.024 7.079 1.00 0.00 O ATOM 1345 ND2 ASN A 100 28.765 -2.986 8.164 1.00 0.00 N ATOM 0 H ASN A 100 30.781 -3.342 5.646 1.00 0.00 H new ATOM 0 HA ASN A 100 31.414 -0.555 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 100 31.247 -2.960 8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 100 31.225 -1.270 8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 100 27.747 -3.030 8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 100 29.286 -3.736 8.619 1.00 0.00 H new ATOM 1352 N SER A 101 33.549 -2.927 7.086 1.00 0.00 N ATOM 1353 CA SER A 101 34.966 -3.200 7.298 1.00 0.00 C ATOM 1354 C SER A 101 35.723 -3.250 5.975 1.00 0.00 C ATOM 1355 O SER A 101 36.921 -2.971 5.924 1.00 0.00 O ATOM 1356 CB SER A 101 35.145 -4.519 8.051 1.00 0.00 C ATOM 1357 OG SER A 101 35.336 -4.294 9.437 1.00 0.00 O ATOM 0 H SER A 101 32.929 -3.697 7.336 1.00 0.00 H new ATOM 0 HA SER A 101 35.377 -2.387 7.896 1.00 0.00 H new ATOM 0 HB2 SER A 101 34.269 -5.150 7.899 1.00 0.00 H new ATOM 0 HB3 SER A 101 36.001 -5.059 7.646 1.00 0.00 H new ATOM 0 HG SER A 101 35.446 -5.153 9.896 1.00 0.00 H new ATOM 1363 N GLY A 102 35.020 -3.613 4.907 1.00 0.00 N ATOM 1364 CA GLY A 102 35.645 -3.688 3.600 1.00 0.00 C ATOM 1365 C GLY A 102 35.399 -5.015 2.906 1.00 0.00 C ATOM 1366 O GLY A 102 36.267 -5.521 2.195 1.00 0.00 O ATOM 0 H GLY A 102 34.030 -3.856 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 102 35.266 -2.880 2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 102 36.719 -3.532 3.706 1.00 0.00 H new ATOM 1370 N TYR A 103 34.211 -5.575 3.108 1.00 0.00 N ATOM 1371 CA TYR A 103 33.844 -6.837 2.488 1.00 0.00 C ATOM 1372 C TYR A 103 33.635 -6.657 0.990 1.00 0.00 C ATOM 1373 O TYR A 103 33.864 -5.578 0.445 1.00 0.00 O ATOM 1374 CB TYR A 103 32.563 -7.381 3.127 1.00 0.00 C ATOM 1375 CG TYR A 103 32.806 -8.249 4.341 1.00 0.00 C ATOM 1376 CD1 TYR A 103 32.909 -7.690 5.609 1.00 0.00 C ATOM 1377 CD2 TYR A 103 32.923 -9.629 4.222 1.00 0.00 C ATOM 1378 CE1 TYR A 103 33.127 -8.479 6.722 1.00 0.00 C ATOM 1379 CE2 TYR A 103 33.139 -10.425 5.331 1.00 0.00 C ATOM 1380 CZ TYR A 103 33.242 -9.846 6.577 1.00 0.00 C ATOM 1381 OH TYR A 103 33.458 -10.636 7.683 1.00 0.00 O ATOM 0 H TYR A 103 33.485 -5.170 3.699 1.00 0.00 H new ATOM 0 HA TYR A 103 34.656 -7.548 2.645 1.00 0.00 H new ATOM 0 HB2 TYR A 103 31.927 -6.543 3.413 1.00 0.00 H new ATOM 0 HB3 TYR A 103 32.014 -7.959 2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 103 32.817 -6.620 5.726 1.00 0.00 H new ATOM 0 HD2 TYR A 103 32.844 -10.087 3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 103 33.207 -8.028 7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 103 33.227 -11.496 5.221 1.00 0.00 H new ATOM 0 HH TYR A 103 33.514 -11.575 7.408 1.00 0.00 H new ATOM 1391 N SER A 104 33.190 -7.719 0.335 1.00 0.00 N ATOM 1392 CA SER A 104 32.916 -7.674 -1.095 1.00 0.00 C ATOM 1393 C SER A 104 31.416 -7.739 -1.344 1.00 0.00 C ATOM 1394 O SER A 104 30.818 -8.815 -1.327 1.00 0.00 O ATOM 1395 CB SER A 104 33.616 -8.826 -1.814 1.00 0.00 C ATOM 1396 OG SER A 104 34.748 -9.271 -1.087 1.00 0.00 O ATOM 0 H SER A 104 33.011 -8.624 0.771 1.00 0.00 H new ATOM 0 HA SER A 104 33.301 -6.734 -1.490 1.00 0.00 H new ATOM 0 HB2 SER A 104 32.918 -9.653 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 104 33.923 -8.504 -2.809 1.00 0.00 H new ATOM 0 HG SER A 104 34.456 -9.692 -0.252 1.00 0.00 H new ATOM 1402 N LEU A 105 30.809 -6.578 -1.558 1.00 0.00 N ATOM 1403 CA LEU A 105 29.375 -6.490 -1.761 1.00 0.00 C ATOM 1404 C LEU A 105 28.869 -7.528 -2.744 1.00 0.00 C ATOM 1405 O LEU A 105 29.280 -7.570 -3.904 1.00 0.00 O ATOM 1406 CB LEU A 105 28.978 -5.103 -2.231 1.00 0.00 C ATOM 1407 CG LEU A 105 27.641 -4.633 -1.675 1.00 0.00 C ATOM 1408 CD1 LEU A 105 27.854 -3.672 -0.520 1.00 0.00 C ATOM 1409 CD2 LEU A 105 26.800 -4.001 -2.768 1.00 0.00 C ATOM 0 H LEU A 105 31.294 -5.682 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 105 28.911 -6.690 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 105 29.753 -4.394 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.932 -5.096 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 105 27.099 -5.499 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 105 26.888 -3.346 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.410 -4.173 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 105 28.417 -2.806 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 105 25.849 -3.672 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 105 27.329 -3.144 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 105 26.617 -4.732 -3.555 1.00 0.00 H new ATOM 1421 N ILE A 106 27.936 -8.333 -2.268 1.00 0.00 N ATOM 1422 CA ILE A 106 27.327 -9.373 -3.069 1.00 0.00 C ATOM 1423 C ILE A 106 26.167 -8.821 -3.887 1.00 0.00 C ATOM 1424 O ILE A 106 25.553 -7.822 -3.515 1.00 0.00 O ATOM 1425 CB ILE A 106 26.824 -10.496 -2.159 1.00 0.00 C ATOM 1426 CG1 ILE A 106 27.997 -11.052 -1.343 1.00 0.00 C ATOM 1427 CG2 ILE A 106 26.127 -11.582 -2.970 1.00 0.00 C ATOM 1428 CD1 ILE A 106 28.810 -12.110 -2.060 1.00 0.00 C ATOM 0 H ILE A 106 27.581 -8.282 -1.313 1.00 0.00 H new ATOM 0 HA ILE A 106 28.079 -9.763 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 106 26.082 -10.098 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 106 28.656 -10.228 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 106 27.611 -11.474 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 106 25.779 -12.369 -2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 106 25.276 -11.152 -3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 106 26.827 -12.003 -3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 106 29.619 -12.449 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 106 28.168 -12.954 -2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 106 29.229 -11.689 -2.974 1.00 0.00 H new ATOM 1440 N GLY A 107 25.868 -9.479 -4.999 1.00 0.00 N ATOM 1441 CA GLY A 107 24.785 -9.030 -5.851 1.00 0.00 C ATOM 1442 C GLY A 107 25.052 -7.664 -6.443 1.00 0.00 C ATOM 1443 O GLY A 107 26.094 -7.437 -7.058 1.00 0.00 O ATOM 0 H GLY A 107 26.355 -10.314 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 107 24.636 -9.750 -6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 107 23.860 -9.000 -5.275 1.00 0.00 H new ATOM 1447 N ASN A 108 24.113 -6.752 -6.246 1.00 0.00 N ATOM 1448 CA ASN A 108 24.249 -5.393 -6.759 1.00 0.00 C ATOM 1449 C ASN A 108 24.132 -4.369 -5.634 1.00 0.00 C ATOM 1450 O ASN A 108 23.321 -4.522 -4.721 1.00 0.00 O ATOM 1451 CB ASN A 108 23.191 -5.117 -7.829 1.00 0.00 C ATOM 1452 CG ASN A 108 22.951 -6.314 -8.730 1.00 0.00 C ATOM 1453 OD1 ASN A 108 23.507 -6.402 -9.825 1.00 0.00 O ATOM 1454 ND2 ASN A 108 22.117 -7.242 -8.274 1.00 0.00 N ATOM 0 H ASN A 108 23.248 -6.926 -5.735 1.00 0.00 H new ATOM 0 HA ASN A 108 25.239 -5.301 -7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 108 22.255 -4.836 -7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 108 23.505 -4.267 -8.435 1.00 0.00 H new ATOM 0 HD21 ASN A 108 21.916 -8.068 -8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 108 21.678 -7.129 -7.360 1.00 0.00 H new ATOM 1461 N SER A 109 24.952 -3.324 -5.710 1.00 0.00 N ATOM 1462 CA SER A 109 24.947 -2.265 -4.706 1.00 0.00 C ATOM 1463 C SER A 109 23.711 -1.387 -4.847 1.00 0.00 C ATOM 1464 O SER A 109 23.226 -0.817 -3.869 1.00 0.00 O ATOM 1465 CB SER A 109 26.212 -1.412 -4.840 1.00 0.00 C ATOM 1466 OG SER A 109 25.998 -0.094 -4.363 1.00 0.00 O ATOM 0 H SER A 109 25.630 -3.188 -6.459 1.00 0.00 H new ATOM 0 HA SER A 109 24.927 -2.728 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.026 -1.875 -4.282 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.521 -1.377 -5.885 1.00 0.00 H new ATOM 0 HG SER A 109 26.530 0.051 -3.553 1.00 0.00 H new ATOM 1472 N GLY A 110 23.210 -1.278 -6.068 1.00 0.00 N ATOM 1473 CA GLY A 110 22.048 -0.451 -6.320 1.00 0.00 C ATOM 1474 C GLY A 110 20.749 -1.114 -5.909 1.00 0.00 C ATOM 1475 O GLY A 110 20.463 -2.243 -6.307 1.00 0.00 O ATOM 0 H GLY A 110 23.588 -1.748 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.155 0.491 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 110 22.005 -0.208 -7.382 1.00 0.00 H new ATOM 1479 N VAL A 111 19.959 -0.403 -5.113 1.00 0.00 N ATOM 1480 CA VAL A 111 18.664 -0.900 -4.669 1.00 0.00 C ATOM 1481 C VAL A 111 17.559 0.018 -5.166 1.00 0.00 C ATOM 1482 O VAL A 111 17.723 1.235 -5.181 1.00 0.00 O ATOM 1483 CB VAL A 111 18.583 -0.999 -3.137 1.00 0.00 C ATOM 1484 CG1 VAL A 111 17.433 -1.904 -2.717 1.00 0.00 C ATOM 1485 CG2 VAL A 111 19.900 -1.495 -2.561 1.00 0.00 C ATOM 0 H VAL A 111 20.195 0.525 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 111 18.540 -1.900 -5.083 1.00 0.00 H new ATOM 0 HB VAL A 111 18.393 -0.002 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 111 17.393 -1.961 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 111 16.494 -1.498 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 111 17.587 -2.902 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 111 19.822 -1.558 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 111 20.126 -2.481 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 111 20.698 -0.802 -2.828 1.00 0.00 H new ATOM 1495 N LEU A 112 16.447 -0.561 -5.596 1.00 0.00 N ATOM 1496 CA LEU A 112 15.341 0.231 -6.114 1.00 0.00 C ATOM 1497 C LEU A 112 14.285 0.480 -5.049 1.00 0.00 C ATOM 1498 O LEU A 112 13.826 -0.445 -4.379 1.00 0.00 O ATOM 1499 CB LEU A 112 14.697 -0.464 -7.318 1.00 0.00 C ATOM 1500 CG LEU A 112 13.380 0.161 -7.798 1.00 0.00 C ATOM 1501 CD1 LEU A 112 12.797 -0.642 -8.951 1.00 0.00 C ATOM 1502 CD2 LEU A 112 13.599 1.609 -8.211 1.00 0.00 C ATOM 0 H LEU A 112 16.287 -1.568 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 112 15.750 1.192 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.407 -0.458 -8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.515 -1.508 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 112 12.668 0.142 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.864 -0.184 -9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.505 -0.655 -9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.604 -1.663 -8.622 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.655 2.038 -8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.972 2.178 -7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.327 1.650 -9.021 1.00 0.00 H new ATOM 1514 N CYS A 113 13.882 1.736 -4.928 1.00 0.00 N ATOM 1515 CA CYS A 113 12.833 2.120 -4.001 1.00 0.00 C ATOM 1516 C CYS A 113 11.510 2.216 -4.745 1.00 0.00 C ATOM 1517 O CYS A 113 11.216 3.233 -5.377 1.00 0.00 O ATOM 1518 CB CYS A 113 13.166 3.463 -3.355 1.00 0.00 C ATOM 1519 SG CYS A 113 11.793 4.216 -2.420 1.00 0.00 S ATOM 0 H CYS A 113 14.270 2.511 -5.466 1.00 0.00 H new ATOM 0 HA CYS A 113 12.754 1.366 -3.218 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.014 3.328 -2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.482 4.157 -4.133 1.00 0.00 H new ATOM 1524 N SER A 114 10.741 1.138 -4.707 1.00 0.00 N ATOM 1525 CA SER A 114 9.464 1.090 -5.406 1.00 0.00 C ATOM 1526 C SER A 114 8.482 0.157 -4.709 1.00 0.00 C ATOM 1527 O SER A 114 8.878 -0.788 -4.026 1.00 0.00 O ATOM 1528 CB SER A 114 9.669 0.637 -6.848 1.00 0.00 C ATOM 1529 OG SER A 114 8.447 0.647 -7.566 1.00 0.00 O ATOM 0 H SER A 114 10.978 0.285 -4.200 1.00 0.00 H new ATOM 0 HA SER A 114 9.044 2.096 -5.397 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.388 1.292 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.093 -0.367 -6.860 1.00 0.00 H new ATOM 0 HG SER A 114 8.607 0.354 -8.488 1.00 0.00 H new ATOM 1535 N GLY A 115 7.197 0.437 -4.889 1.00 0.00 N ATOM 1536 CA GLY A 115 6.158 -0.386 -4.293 1.00 0.00 C ATOM 1537 C GLY A 115 5.974 -0.145 -2.804 1.00 0.00 C ATOM 1538 O GLY A 115 5.105 -0.752 -2.179 1.00 0.00 O ATOM 0 H GLY A 115 6.853 1.223 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.215 -0.193 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.399 -1.436 -4.456 1.00 0.00 H new ATOM 1542 N GLY A 116 6.770 0.755 -2.238 1.00 0.00 N ATOM 1543 CA GLY A 116 6.696 1.016 -0.816 1.00 0.00 C ATOM 1544 C GLY A 116 7.796 0.306 -0.053 1.00 0.00 C ATOM 1545 O GLY A 116 7.868 0.395 1.173 1.00 0.00 O ATOM 0 H GLY A 116 7.465 1.308 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.767 2.089 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.726 0.694 -0.438 1.00 0.00 H new ATOM 1549 N GLU A 117 8.658 -0.402 -0.782 1.00 0.00 N ATOM 1550 CA GLU A 117 9.758 -1.128 -0.171 1.00 0.00 C ATOM 1551 C GLU A 117 10.975 -1.134 -1.088 1.00 0.00 C ATOM 1552 O GLU A 117 10.923 -0.627 -2.208 1.00 0.00 O ATOM 1553 CB GLU A 117 9.336 -2.564 0.137 1.00 0.00 C ATOM 1554 CG GLU A 117 8.522 -2.699 1.412 1.00 0.00 C ATOM 1555 CD GLU A 117 9.081 -3.750 2.352 1.00 0.00 C ATOM 1556 OE1 GLU A 117 9.089 -4.940 1.973 1.00 0.00 O ATOM 1557 OE2 GLU A 117 9.510 -3.383 3.465 1.00 0.00 O ATOM 0 H GLU A 117 8.611 -0.485 -1.798 1.00 0.00 H new ATOM 0 HA GLU A 117 10.024 -0.625 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 117 8.752 -2.949 -0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 117 10.227 -3.186 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.493 -1.737 1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.494 -2.955 1.157 1.00 0.00 H new ATOM 1564 N TRP A 118 12.064 -1.719 -0.609 1.00 0.00 N ATOM 1565 CA TRP A 118 13.292 -1.801 -1.385 1.00 0.00 C ATOM 1566 C TRP A 118 13.423 -3.169 -2.044 1.00 0.00 C ATOM 1567 O TRP A 118 12.852 -4.152 -1.573 1.00 0.00 O ATOM 1568 CB TRP A 118 14.496 -1.539 -0.487 1.00 0.00 C ATOM 1569 CG TRP A 118 14.637 -0.106 -0.078 1.00 0.00 C ATOM 1570 CD1 TRP A 118 14.228 0.454 1.098 1.00 0.00 C ATOM 1571 CD2 TRP A 118 15.247 0.944 -0.834 1.00 0.00 C ATOM 1572 NE1 TRP A 118 14.545 1.790 1.118 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.171 2.117 -0.058 1.00 0.00 C ATOM 1574 CE3 TRP A 118 15.848 1.009 -2.093 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.675 3.338 -0.505 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.342 2.221 -2.533 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.245 3.372 -1.743 1.00 0.00 C ATOM 0 H TRP A 118 12.121 -2.145 0.316 1.00 0.00 H new ATOM 0 HA TRP A 118 13.256 -1.042 -2.167 1.00 0.00 H new ATOM 0 HB2 TRP A 118 14.413 -2.157 0.407 1.00 0.00 H new ATOM 0 HB3 TRP A 118 15.402 -1.851 -1.007 1.00 0.00 H new ATOM 0 HD1 TRP A 118 13.728 -0.076 1.896 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.347 2.435 1.883 1.00 0.00 H new ATOM 0 HE3 TRP A 118 15.925 0.127 -2.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.616 4.225 0.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 16.811 2.282 -3.504 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.630 4.307 -2.122 1.00 0.00 H new ATOM 1588 N SER A 119 14.178 -3.226 -3.135 1.00 0.00 N ATOM 1589 CA SER A 119 14.377 -4.477 -3.856 1.00 0.00 C ATOM 1590 C SER A 119 15.798 -4.581 -4.397 1.00 0.00 C ATOM 1591 O SER A 119 16.467 -3.572 -4.622 1.00 0.00 O ATOM 1592 CB SER A 119 13.374 -4.596 -5.002 1.00 0.00 C ATOM 1593 OG SER A 119 12.516 -3.470 -5.050 1.00 0.00 O ATOM 0 H SER A 119 14.661 -2.423 -3.538 1.00 0.00 H new ATOM 0 HA SER A 119 14.217 -5.296 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.908 -4.691 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.782 -5.503 -4.878 1.00 0.00 H new ATOM 0 HG SER A 119 11.885 -3.571 -5.793 1.00 0.00 H new ATOM 1599 N ASP A 120 16.249 -5.813 -4.605 1.00 0.00 N ATOM 1600 CA ASP A 120 17.586 -6.067 -5.128 1.00 0.00 C ATOM 1601 C ASP A 120 18.672 -5.636 -4.143 1.00 0.00 C ATOM 1602 O ASP A 120 19.645 -4.988 -4.529 1.00 0.00 O ATOM 1603 CB ASP A 120 17.778 -5.336 -6.458 1.00 0.00 C ATOM 1604 CG ASP A 120 18.409 -6.218 -7.517 1.00 0.00 C ATOM 1605 OD1 ASP A 120 17.778 -6.418 -8.576 1.00 0.00 O ATOM 1606 OD2 ASP A 120 19.535 -6.709 -7.288 1.00 0.00 O ATOM 0 H ASP A 120 15.705 -6.655 -4.418 1.00 0.00 H new ATOM 0 HA ASP A 120 17.679 -7.142 -5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 120 16.812 -4.978 -6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 120 18.405 -4.458 -6.300 1.00 0.00 H new ATOM 1611 N PRO A 121 18.537 -6.008 -2.857 1.00 0.00 N ATOM 1612 CA PRO A 121 19.529 -5.674 -1.834 1.00 0.00 C ATOM 1613 C PRO A 121 20.736 -6.609 -1.891 1.00 0.00 C ATOM 1614 O PRO A 121 20.582 -7.813 -2.094 1.00 0.00 O ATOM 1615 CB PRO A 121 18.757 -5.879 -0.535 1.00 0.00 C ATOM 1616 CG PRO A 121 17.792 -6.971 -0.850 1.00 0.00 C ATOM 1617 CD PRO A 121 17.419 -6.796 -2.301 1.00 0.00 C ATOM 0 HA PRO A 121 19.935 -4.670 -1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 121 19.421 -6.158 0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 121 18.242 -4.968 -0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 121 18.241 -7.949 -0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 121 16.911 -6.909 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 121 17.316 -7.756 -2.806 1.00 0.00 H new ATOM 0 HD3 PRO A 121 16.468 -6.274 -2.410 1.00 0.00 H new ATOM 1625 N PRO A 122 21.957 -6.074 -1.720 1.00 0.00 N ATOM 1626 CA PRO A 122 23.173 -6.870 -1.771 1.00 0.00 C ATOM 1627 C PRO A 122 23.589 -7.414 -0.416 1.00 0.00 C ATOM 1628 O PRO A 122 22.894 -7.244 0.584 1.00 0.00 O ATOM 1629 CB PRO A 122 24.218 -5.876 -2.263 1.00 0.00 C ATOM 1630 CG PRO A 122 23.711 -4.520 -1.869 1.00 0.00 C ATOM 1631 CD PRO A 122 22.256 -4.655 -1.483 1.00 0.00 C ATOM 0 HA PRO A 122 23.044 -7.749 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 122 25.190 -6.076 -1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 122 24.347 -5.947 -3.343 1.00 0.00 H new ATOM 0 HG2 PRO A 122 24.291 -4.125 -1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 122 23.822 -3.818 -2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 122 22.092 -4.381 -0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 122 21.621 -4.007 -2.087 1.00 0.00 H new ATOM 1639 N THR A 123 24.748 -8.051 -0.402 1.00 0.00 N ATOM 1640 CA THR A 123 25.322 -8.590 0.821 1.00 0.00 C ATOM 1641 C THR A 123 26.756 -8.104 0.966 1.00 0.00 C ATOM 1642 O THR A 123 27.130 -7.088 0.382 1.00 0.00 O ATOM 1643 CB THR A 123 25.276 -10.120 0.808 1.00 0.00 C ATOM 1644 OG1 THR A 123 24.307 -10.584 -0.117 1.00 0.00 O ATOM 1645 CG2 THR A 123 24.951 -10.722 2.157 1.00 0.00 C ATOM 0 H THR A 123 25.316 -8.209 -1.234 1.00 0.00 H new ATOM 0 HA THR A 123 24.737 -8.241 1.672 1.00 0.00 H new ATOM 0 HB THR A 123 26.279 -10.437 0.522 1.00 0.00 H new ATOM 0 HG1 THR A 123 24.293 -11.564 -0.113 1.00 0.00 H new ATOM 0 HG21 THR A 123 24.935 -11.809 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 123 25.709 -10.423 2.881 1.00 0.00 H new ATOM 0 HG23 THR A 123 23.975 -10.368 2.488 1.00 0.00 H new ATOM 1653 N CYS A 124 27.560 -8.822 1.736 1.00 0.00 N ATOM 1654 CA CYS A 124 28.955 -8.447 1.910 1.00 0.00 C ATOM 1655 C CYS A 124 29.793 -9.639 2.344 1.00 0.00 C ATOM 1656 O CYS A 124 29.968 -9.894 3.536 1.00 0.00 O ATOM 1657 CB CYS A 124 29.087 -7.308 2.922 1.00 0.00 C ATOM 1658 SG CYS A 124 28.936 -5.647 2.190 1.00 0.00 S ATOM 0 H CYS A 124 27.275 -9.659 2.245 1.00 0.00 H new ATOM 0 HA CYS A 124 29.329 -8.101 0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 124 28.322 -7.427 3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 124 30.053 -7.388 3.420 1.00 0.00 H new ATOM 1663 N GLN A 125 30.316 -10.360 1.362 1.00 0.00 N ATOM 1664 CA GLN A 125 31.143 -11.525 1.623 1.00 0.00 C ATOM 1665 C GLN A 125 32.570 -11.291 1.150 1.00 0.00 C ATOM 1666 O GLN A 125 32.861 -10.300 0.479 1.00 0.00 O ATOM 1667 CB GLN A 125 30.559 -12.751 0.924 1.00 0.00 C ATOM 1668 CG GLN A 125 29.488 -13.455 1.737 1.00 0.00 C ATOM 1669 CD GLN A 125 28.494 -14.204 0.871 1.00 0.00 C ATOM 1670 OE1 GLN A 125 28.801 -15.267 0.332 1.00 0.00 O ATOM 1671 NE2 GLN A 125 27.294 -13.651 0.734 1.00 0.00 N ATOM 0 H GLN A 125 30.180 -10.155 0.372 1.00 0.00 H new ATOM 0 HA GLN A 125 31.159 -11.699 2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 125 30.137 -12.447 -0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 125 31.363 -13.455 0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 125 29.962 -14.154 2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 125 28.956 -12.721 2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 125 27.083 -12.768 1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 125 26.583 -14.109 0.163 1.00 0.00 H new ATOM 1680 N ILE A 126 33.455 -12.210 1.505 1.00 0.00 N ATOM 1681 CA ILE A 126 34.855 -12.114 1.118 1.00 0.00 C ATOM 1682 C ILE A 126 35.145 -13.000 -0.089 1.00 0.00 C ATOM 1683 O ILE A 126 35.786 -14.044 0.032 1.00 0.00 O ATOM 1684 CB ILE A 126 35.787 -12.508 2.280 1.00 0.00 C ATOM 1685 CG1 ILE A 126 35.546 -11.594 3.479 1.00 0.00 C ATOM 1686 CG2 ILE A 126 37.244 -12.445 1.847 1.00 0.00 C ATOM 1687 CD1 ILE A 126 35.826 -10.135 3.194 1.00 0.00 C ATOM 0 H ILE A 126 33.228 -13.034 2.062 1.00 0.00 H new ATOM 0 HA ILE A 126 35.047 -11.074 0.855 1.00 0.00 H new ATOM 0 HB ILE A 126 35.564 -13.535 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 126 34.511 -11.700 3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 126 36.175 -11.921 4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 126 37.884 -12.727 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 126 37.407 -13.132 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 126 37.486 -11.430 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 126 35.633 -9.546 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 126 36.868 -10.016 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 126 35.178 -9.791 2.388 1.00 0.00 H new TER 1699 ILE A 126