USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 551 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 48 THR OG1 : rot 80:sc= -0.175 USER MOD Set 1.2: A 50 THR OG1 : rot -61:sc= 0.892 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.461 K(o=-0.75,f=-2.5!) USER MOD Set 2.2: A 33 TYR OH : rot 71:sc= -1.21! USER MOD Set 3.1: A 8 TYR OH : rot 15:sc= -6.5! USER MOD Set 3.2: A 16 TYR OH : rot 116:sc= -2.4! USER MOD Set 4.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 51 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-2.4!) USER MOD Single : A 1 ASP N :NH3+ -171:sc= 0.0474 (180deg=0.0297) USER MOD Single : A 2 SER OG : rot -50:sc= -2.42 USER MOD Single : A 4 MET CE :methyl -156:sc= -0.6 (180deg=-2.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -33:sc= 1.3 USER MOD Single : A 34 ASN : amide:sc= -0.799 K(o=-0.8,f=-2.1!) USER MOD Single : A 35 ASN : amide:sc= -7.14! C(o=-7.1!,f=-20!) USER MOD Single : A 38 MET CE :methyl -139:sc= -0.194 (180deg=-1.31!) USER MOD Single : A 41 HIS : no HE2:sc= 0.463 K(o=0.46,f=-2!) USER MOD Single : A 43 ASN : amide:sc= -5.14! C(o=-5.1!,f=-7.8!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 54 SER OG : rot 19:sc= 1.07 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -55:sc= 0.624 USER MOD Single : A 62 SER OG : rot -54:sc= 1.16 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -17.920 -11.875 6.441 1.00 0.00 N ATOM 2 CA ASP A 1 -16.782 -12.273 7.317 1.00 0.00 C ATOM 3 C ASP A 1 -15.885 -11.060 7.569 1.00 0.00 C ATOM 4 O ASP A 1 -16.041 -10.024 6.954 1.00 0.00 O ATOM 5 CB ASP A 1 -15.969 -13.372 6.631 1.00 0.00 C ATOM 6 CG ASP A 1 -16.844 -14.613 6.444 1.00 0.00 C ATOM 7 OD1 ASP A 1 -17.884 -14.682 7.079 1.00 0.00 O ATOM 8 OD2 ASP A 1 -16.459 -15.473 5.669 1.00 0.00 O ATOM 0 H1 ASP A 1 -18.609 -12.652 6.393 1.00 0.00 H new ATOM 0 H2 ASP A 1 -18.380 -11.028 6.832 1.00 0.00 H new ATOM 0 H3 ASP A 1 -17.566 -11.666 5.486 1.00 0.00 H new ATOM 0 HA ASP A 1 -17.168 -12.645 8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -15.606 -13.021 5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -15.093 -13.619 7.230 1.00 0.00 H new ATOM 15 N SER A 2 -14.947 -11.181 8.467 1.00 0.00 N ATOM 16 CA SER A 2 -14.041 -10.035 8.755 1.00 0.00 C ATOM 17 C SER A 2 -13.597 -9.395 7.439 1.00 0.00 C ATOM 18 O SER A 2 -13.330 -8.211 7.371 1.00 0.00 O ATOM 19 CB SER A 2 -12.814 -10.539 9.513 1.00 0.00 C ATOM 20 OG SER A 2 -13.123 -10.651 10.894 1.00 0.00 O ATOM 0 H SER A 2 -14.769 -12.024 9.013 1.00 0.00 H new ATOM 0 HA SER A 2 -14.567 -9.296 9.360 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.503 -11.507 9.120 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.979 -9.853 9.371 1.00 0.00 H new ATOM 0 HG SER A 2 -13.533 -9.817 11.206 1.00 0.00 H new ATOM 26 N GLU A 3 -13.522 -10.169 6.391 1.00 0.00 N ATOM 27 CA GLU A 3 -13.102 -9.606 5.079 1.00 0.00 C ATOM 28 C GLU A 3 -13.933 -8.360 4.793 1.00 0.00 C ATOM 29 O GLU A 3 -13.496 -7.448 4.119 1.00 0.00 O ATOM 30 CB GLU A 3 -13.334 -10.645 3.980 1.00 0.00 C ATOM 31 CG GLU A 3 -12.030 -11.400 3.710 1.00 0.00 C ATOM 32 CD GLU A 3 -12.264 -12.451 2.623 1.00 0.00 C ATOM 33 OE1 GLU A 3 -13.170 -12.262 1.828 1.00 0.00 O ATOM 34 OE2 GLU A 3 -11.533 -13.428 2.605 1.00 0.00 O ATOM 0 H GLU A 3 -13.734 -11.167 6.388 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.044 -9.346 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.115 -11.343 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.679 -10.156 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.253 -10.704 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.679 -11.879 4.624 1.00 0.00 H new ATOM 41 N MET A 4 -15.126 -8.311 5.315 1.00 0.00 N ATOM 42 CA MET A 4 -15.989 -7.118 5.091 1.00 0.00 C ATOM 43 C MET A 4 -15.511 -5.991 6.005 1.00 0.00 C ATOM 44 O MET A 4 -15.571 -4.827 5.661 1.00 0.00 O ATOM 45 CB MET A 4 -17.442 -7.465 5.419 1.00 0.00 C ATOM 46 CG MET A 4 -17.901 -8.624 4.533 1.00 0.00 C ATOM 47 SD MET A 4 -17.789 -8.135 2.793 1.00 0.00 S ATOM 48 CE MET A 4 -18.745 -6.604 2.925 1.00 0.00 C ATOM 0 H MET A 4 -15.541 -9.046 5.888 1.00 0.00 H new ATOM 0 HA MET A 4 -15.927 -6.804 4.049 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.534 -7.738 6.470 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.080 -6.596 5.259 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.282 -9.502 4.715 1.00 0.00 H new ATOM 0 HG3 MET A 4 -18.926 -8.900 4.779 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.167 -6.353 1.952 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.551 -6.740 3.646 1.00 0.00 H new ATOM 0 HE3 MET A 4 -18.094 -5.796 3.257 1.00 0.00 H new ATOM 58 N CYS A 5 -15.024 -6.334 7.167 1.00 0.00 N ATOM 59 CA CYS A 5 -14.526 -5.290 8.105 1.00 0.00 C ATOM 60 C CYS A 5 -13.074 -4.956 7.755 1.00 0.00 C ATOM 61 O CYS A 5 -12.415 -4.204 8.445 1.00 0.00 O ATOM 62 CB CYS A 5 -14.592 -5.813 9.544 1.00 0.00 C ATOM 63 SG CYS A 5 -16.036 -6.885 9.745 1.00 0.00 S ATOM 0 H CYS A 5 -14.950 -7.293 7.506 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.145 -4.397 8.018 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -13.683 -6.365 9.781 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -14.649 -4.977 10.242 1.00 0.00 H new ATOM 68 N LYS A 6 -12.567 -5.514 6.688 1.00 0.00 N ATOM 69 CA LYS A 6 -11.159 -5.230 6.297 1.00 0.00 C ATOM 70 C LYS A 6 -11.026 -3.760 5.894 1.00 0.00 C ATOM 71 O LYS A 6 -9.975 -3.165 6.022 1.00 0.00 O ATOM 72 CB LYS A 6 -10.770 -6.121 5.117 1.00 0.00 C ATOM 73 CG LYS A 6 -10.162 -7.418 5.648 1.00 0.00 C ATOM 74 CD LYS A 6 -9.377 -8.110 4.533 1.00 0.00 C ATOM 75 CE LYS A 6 -9.147 -9.575 4.907 1.00 0.00 C ATOM 76 NZ LYS A 6 -7.735 -9.761 5.347 1.00 0.00 N ATOM 0 H LYS A 6 -13.068 -6.154 6.072 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.499 -5.434 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.646 -6.339 4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.055 -5.605 4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.505 -7.205 6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.949 -8.077 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.925 -8.045 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.422 -7.608 4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.829 -9.869 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.360 -10.217 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.579 -10.757 5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.093 -9.496 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.547 -9.159 6.174 1.00 0.00 H new ATOM 90 N ASP A 7 -12.081 -3.172 5.404 1.00 0.00 N ATOM 91 CA ASP A 7 -12.006 -1.741 4.993 1.00 0.00 C ATOM 92 C ASP A 7 -13.345 -1.046 5.255 1.00 0.00 C ATOM 93 O ASP A 7 -14.022 -0.619 4.340 1.00 0.00 O ATOM 94 CB ASP A 7 -11.675 -1.656 3.503 1.00 0.00 C ATOM 95 CG ASP A 7 -10.207 -2.032 3.284 1.00 0.00 C ATOM 96 OD1 ASP A 7 -9.420 -1.820 4.191 1.00 0.00 O ATOM 97 OD2 ASP A 7 -9.897 -2.526 2.213 1.00 0.00 O ATOM 0 H ASP A 7 -12.989 -3.617 5.270 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.227 -1.246 5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.322 -2.327 2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.862 -0.647 3.135 1.00 0.00 H new ATOM 102 N TYR A 8 -13.728 -0.916 6.496 1.00 0.00 N ATOM 103 CA TYR A 8 -15.017 -0.234 6.811 1.00 0.00 C ATOM 104 C TYR A 8 -14.758 0.898 7.807 1.00 0.00 C ATOM 105 O TYR A 8 -13.632 1.156 8.185 1.00 0.00 O ATOM 106 CB TYR A 8 -16.002 -1.236 7.418 1.00 0.00 C ATOM 107 CG TYR A 8 -15.557 -1.603 8.813 1.00 0.00 C ATOM 108 CD1 TYR A 8 -14.422 -2.398 8.997 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.283 -1.152 9.924 1.00 0.00 C ATOM 110 CE1 TYR A 8 -14.011 -2.746 10.289 1.00 0.00 C ATOM 111 CE2 TYR A 8 -15.871 -1.499 11.216 1.00 0.00 C ATOM 112 CZ TYR A 8 -14.735 -2.296 11.398 1.00 0.00 C ATOM 113 OH TYR A 8 -14.332 -2.642 12.672 1.00 0.00 O ATOM 0 H TYR A 8 -13.205 -1.252 7.305 1.00 0.00 H new ATOM 0 HA TYR A 8 -15.444 0.173 5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -17.003 -0.805 7.446 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.057 -2.130 6.796 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.861 -2.744 8.141 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.160 -0.537 9.783 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.135 -3.362 10.430 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -16.430 -1.152 12.072 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.416 -2.989 12.642 1.00 0.00 H new ATOM 123 N ARG A 9 -15.785 1.578 8.233 1.00 0.00 N ATOM 124 CA ARG A 9 -15.585 2.694 9.201 1.00 0.00 C ATOM 125 C ARG A 9 -16.827 2.839 10.082 1.00 0.00 C ATOM 126 O ARG A 9 -17.943 2.663 9.634 1.00 0.00 O ATOM 127 CB ARG A 9 -15.349 3.995 8.434 1.00 0.00 C ATOM 128 CG ARG A 9 -13.964 3.962 7.788 1.00 0.00 C ATOM 129 CD ARG A 9 -13.640 5.339 7.205 1.00 0.00 C ATOM 130 NE ARG A 9 -14.766 5.788 6.339 1.00 0.00 N ATOM 131 CZ ARG A 9 -14.783 7.004 5.867 1.00 0.00 C ATOM 132 NH1 ARG A 9 -13.784 7.441 5.150 1.00 0.00 N ATOM 133 NH2 ARG A 9 -15.799 7.787 6.114 1.00 0.00 N ATOM 0 H ARG A 9 -16.752 1.411 7.954 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.721 2.479 9.829 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.115 4.123 7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.427 4.847 9.109 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.213 3.682 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.935 3.207 7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.476 6.057 8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.718 5.293 6.626 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.524 5.144 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.989 6.832 4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.798 8.392 4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.580 7.448 6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.812 8.738 5.745 1.00 0.00 H new ATOM 147 N VAL A 10 -16.643 3.162 11.333 1.00 0.00 N ATOM 148 CA VAL A 10 -17.813 3.320 12.241 1.00 0.00 C ATOM 149 C VAL A 10 -17.725 4.671 12.955 1.00 0.00 C ATOM 150 O VAL A 10 -16.701 5.029 13.503 1.00 0.00 O ATOM 151 CB VAL A 10 -17.813 2.194 13.276 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.887 2.470 14.329 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.112 0.864 12.582 1.00 0.00 C ATOM 0 H VAL A 10 -15.733 3.323 11.765 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.733 3.276 11.659 1.00 0.00 H new ATOM 0 HB VAL A 10 -16.836 2.143 13.757 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.888 1.668 15.067 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.676 3.418 14.824 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.864 2.521 13.848 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.112 0.061 13.319 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.089 0.916 12.102 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.348 0.666 11.830 1.00 0.00 H new ATOM 163 N LEU A 11 -18.791 5.423 12.953 1.00 0.00 N ATOM 164 CA LEU A 11 -18.771 6.752 13.628 1.00 0.00 C ATOM 165 C LEU A 11 -19.674 6.709 14.863 1.00 0.00 C ATOM 166 O LEU A 11 -20.347 5.729 15.114 1.00 0.00 O ATOM 167 CB LEU A 11 -19.284 7.817 12.658 1.00 0.00 C ATOM 168 CG LEU A 11 -18.118 8.697 12.203 1.00 0.00 C ATOM 169 CD1 LEU A 11 -17.555 8.154 10.889 1.00 0.00 C ATOM 170 CD2 LEU A 11 -18.613 10.129 11.995 1.00 0.00 C ATOM 0 H LEU A 11 -19.677 5.174 12.512 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.753 6.994 13.932 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -19.754 7.343 11.796 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.047 8.427 13.141 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.337 8.690 12.963 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.724 8.780 10.563 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.204 7.133 11.038 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -18.335 8.162 10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.783 10.757 11.671 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -19.393 10.137 11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.016 10.514 12.932 1.00 0.00 H new ATOM 182 N PRO A 12 -19.688 7.799 15.646 1.00 0.00 N ATOM 183 CA PRO A 12 -20.513 7.894 16.859 1.00 0.00 C ATOM 184 C PRO A 12 -22.005 7.928 16.523 1.00 0.00 C ATOM 185 O PRO A 12 -22.841 7.568 17.329 1.00 0.00 O ATOM 186 CB PRO A 12 -20.082 9.222 17.481 1.00 0.00 C ATOM 187 CG PRO A 12 -19.559 10.017 16.334 1.00 0.00 C ATOM 188 CD PRO A 12 -18.907 9.026 15.413 1.00 0.00 C ATOM 0 HA PRO A 12 -20.376 7.038 17.520 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -20.920 9.725 17.964 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.317 9.074 18.243 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.364 10.550 15.828 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.843 10.767 16.672 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.959 9.347 14.372 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.853 8.885 15.651 1.00 0.00 H new ATOM 196 N ARG A 13 -22.344 8.350 15.337 1.00 0.00 N ATOM 197 CA ARG A 13 -23.781 8.401 14.946 1.00 0.00 C ATOM 198 C ARG A 13 -24.146 7.110 14.211 1.00 0.00 C ATOM 199 O ARG A 13 -25.261 6.636 14.285 1.00 0.00 O ATOM 200 CB ARG A 13 -24.020 9.597 14.022 1.00 0.00 C ATOM 201 CG ARG A 13 -23.828 10.896 14.805 1.00 0.00 C ATOM 202 CD ARG A 13 -24.107 12.089 13.890 1.00 0.00 C ATOM 203 NE ARG A 13 -25.569 12.170 13.610 1.00 0.00 N ATOM 204 CZ ARG A 13 -26.014 12.971 12.680 1.00 0.00 C ATOM 205 NH1 ARG A 13 -26.457 12.482 11.554 1.00 0.00 N ATOM 206 NH2 ARG A 13 -26.014 14.261 12.875 1.00 0.00 N ATOM 0 H ARG A 13 -21.688 8.662 14.621 1.00 0.00 H new ATOM 0 HA ARG A 13 -24.399 8.506 15.838 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.329 9.563 13.180 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.028 9.555 13.609 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -24.499 10.918 15.664 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.811 10.952 15.193 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -23.765 13.010 14.361 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -23.553 11.983 12.957 1.00 0.00 H new ATOM 0 HE ARG A 13 -26.223 11.599 14.146 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -26.456 11.474 11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -26.805 13.108 10.828 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -25.666 14.644 13.754 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -26.362 14.887 12.148 1.00 0.00 H new ATOM 220 N ILE A 14 -23.211 6.540 13.504 1.00 0.00 N ATOM 221 CA ILE A 14 -23.498 5.280 12.763 1.00 0.00 C ATOM 222 C ILE A 14 -23.304 4.086 13.699 1.00 0.00 C ATOM 223 O ILE A 14 -24.130 3.196 13.766 1.00 0.00 O ATOM 224 CB ILE A 14 -22.540 5.156 11.576 1.00 0.00 C ATOM 225 CG1 ILE A 14 -22.737 6.345 10.634 1.00 0.00 C ATOM 226 CG2 ILE A 14 -22.827 3.856 10.824 1.00 0.00 C ATOM 227 CD1 ILE A 14 -21.573 6.409 9.642 1.00 0.00 C ATOM 0 H ILE A 14 -22.259 6.893 13.407 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.526 5.297 12.400 1.00 0.00 H new ATOM 0 HB ILE A 14 -21.512 5.147 11.938 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -23.681 6.245 10.098 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -22.792 7.271 11.207 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -22.145 3.767 9.978 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -22.686 3.009 11.495 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -23.855 3.865 10.462 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -21.713 7.256 8.971 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -20.637 6.529 10.187 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -21.539 5.487 9.061 1.00 0.00 H new ATOM 239 N GLY A 15 -22.218 4.059 14.422 1.00 0.00 N ATOM 240 CA GLY A 15 -21.968 2.923 15.352 1.00 0.00 C ATOM 241 C GLY A 15 -21.653 1.664 14.543 1.00 0.00 C ATOM 242 O GLY A 15 -21.369 1.728 13.364 1.00 0.00 O ATOM 0 H GLY A 15 -21.492 4.776 14.408 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.137 3.159 16.017 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.842 2.755 15.982 1.00 0.00 H new ATOM 246 N TYR A 16 -21.701 0.519 15.166 1.00 0.00 N ATOM 247 CA TYR A 16 -21.405 -0.739 14.427 1.00 0.00 C ATOM 248 C TYR A 16 -22.711 -1.480 14.144 1.00 0.00 C ATOM 249 O TYR A 16 -23.641 -1.439 14.924 1.00 0.00 O ATOM 250 CB TYR A 16 -20.489 -1.628 15.270 1.00 0.00 C ATOM 251 CG TYR A 16 -19.506 -2.331 14.366 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.962 -3.263 13.427 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.139 -2.047 14.463 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.053 -3.911 12.584 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.228 -2.694 13.620 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.685 -3.626 12.680 1.00 0.00 C ATOM 257 OH TYR A 16 -16.787 -4.261 11.846 1.00 0.00 O ATOM 0 H TYR A 16 -21.932 0.401 16.152 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.909 -0.498 13.487 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.957 -1.026 16.007 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -21.080 -2.359 15.822 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.017 -3.482 13.353 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.787 -1.329 15.188 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.406 -4.630 11.860 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.173 -2.475 13.694 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.352 -3.599 11.269 1.00 0.00 H new ATOM 267 N LEU A 17 -22.788 -2.161 13.035 1.00 0.00 N ATOM 268 CA LEU A 17 -24.036 -2.906 12.708 1.00 0.00 C ATOM 269 C LEU A 17 -23.758 -4.406 12.749 1.00 0.00 C ATOM 270 O LEU A 17 -22.877 -4.904 12.077 1.00 0.00 O ATOM 271 CB LEU A 17 -24.516 -2.522 11.309 1.00 0.00 C ATOM 272 CG LEU A 17 -24.371 -1.015 11.113 1.00 0.00 C ATOM 273 CD1 LEU A 17 -22.911 -0.684 10.804 1.00 0.00 C ATOM 274 CD2 LEU A 17 -25.258 -0.572 9.948 1.00 0.00 C ATOM 0 H LEU A 17 -22.043 -2.234 12.342 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.805 -2.654 13.438 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.935 -3.054 10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -25.557 -2.818 11.177 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.675 -0.493 12.020 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.804 0.392 10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.281 -1.006 11.633 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.605 -1.201 9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -25.158 0.504 9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.951 -1.090 9.039 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.297 -0.814 10.170 1.00 0.00 H new ATOM 286 N CYS A 18 -24.509 -5.130 13.524 1.00 0.00 N ATOM 287 CA CYS A 18 -24.299 -6.601 13.601 1.00 0.00 C ATOM 288 C CYS A 18 -25.660 -7.288 13.713 1.00 0.00 C ATOM 289 O CYS A 18 -26.626 -6.699 14.157 1.00 0.00 O ATOM 290 CB CYS A 18 -23.453 -6.941 14.833 1.00 0.00 C ATOM 291 SG CYS A 18 -21.901 -6.008 14.785 1.00 0.00 S ATOM 0 H CYS A 18 -25.261 -4.768 14.110 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.779 -6.945 12.707 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -24.005 -6.701 15.742 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.245 -8.011 14.859 1.00 0.00 H new ATOM 296 N PRO A 19 -25.737 -8.560 13.304 1.00 0.00 N ATOM 297 CA PRO A 19 -26.986 -9.326 13.362 1.00 0.00 C ATOM 298 C PRO A 19 -27.365 -9.664 14.804 1.00 0.00 C ATOM 299 O PRO A 19 -26.560 -9.561 15.707 1.00 0.00 O ATOM 300 CB PRO A 19 -26.666 -10.601 12.586 1.00 0.00 C ATOM 301 CG PRO A 19 -25.184 -10.745 12.689 1.00 0.00 C ATOM 302 CD PRO A 19 -24.622 -9.351 12.757 1.00 0.00 C ATOM 0 HA PRO A 19 -27.830 -8.772 12.952 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.178 -11.463 13.013 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.985 -10.523 11.547 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.911 -11.317 13.576 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.786 -11.282 11.828 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.742 -9.303 13.399 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.319 -8.992 11.774 1.00 0.00 H new ATOM 310 N LYS A 20 -28.585 -10.061 15.027 1.00 0.00 N ATOM 311 CA LYS A 20 -29.013 -10.400 16.413 1.00 0.00 C ATOM 312 C LYS A 20 -28.584 -11.831 16.742 1.00 0.00 C ATOM 313 O LYS A 20 -28.378 -12.180 17.887 1.00 0.00 O ATOM 314 CB LYS A 20 -30.534 -10.279 16.523 1.00 0.00 C ATOM 315 CG LYS A 20 -30.945 -8.826 16.286 1.00 0.00 C ATOM 316 CD LYS A 20 -32.471 -8.713 16.334 1.00 0.00 C ATOM 317 CE LYS A 20 -32.944 -8.795 17.787 1.00 0.00 C ATOM 318 NZ LYS A 20 -33.789 -10.009 17.966 1.00 0.00 N ATOM 0 H LYS A 20 -29.304 -10.166 14.311 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.546 -9.712 17.117 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -31.016 -10.929 15.792 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.866 -10.607 17.508 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.498 -8.182 17.044 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.575 -8.485 15.319 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.791 -7.771 15.889 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.924 -9.512 15.747 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.086 -8.834 18.458 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -33.512 -7.902 18.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -34.111 -10.065 18.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -34.614 -9.954 17.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -33.233 -10.857 17.734 1.00 0.00 H new ATOM 332 N ASP A 21 -28.446 -12.661 15.745 1.00 0.00 N ATOM 333 CA ASP A 21 -28.026 -14.068 16.001 1.00 0.00 C ATOM 334 C ASP A 21 -26.622 -14.078 16.606 1.00 0.00 C ATOM 335 O ASP A 21 -25.691 -13.534 16.045 1.00 0.00 O ATOM 336 CB ASP A 21 -28.016 -14.842 14.682 1.00 0.00 C ATOM 337 CG ASP A 21 -29.406 -14.786 14.045 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.332 -14.376 14.727 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.521 -15.152 12.888 1.00 0.00 O ATOM 0 H ASP A 21 -28.606 -12.426 14.765 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.724 -14.536 16.694 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.277 -14.416 14.004 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.727 -15.878 14.859 1.00 0.00 H new ATOM 344 N LEU A 22 -26.457 -14.694 17.743 1.00 0.00 N ATOM 345 CA LEU A 22 -25.109 -14.740 18.376 1.00 0.00 C ATOM 346 C LEU A 22 -24.330 -15.932 17.820 1.00 0.00 C ATOM 347 O LEU A 22 -24.606 -17.071 18.140 1.00 0.00 O ATOM 348 CB LEU A 22 -25.260 -14.884 19.894 1.00 0.00 C ATOM 349 CG LEU A 22 -23.884 -14.796 20.563 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.126 -16.109 20.354 1.00 0.00 C ATOM 351 CD2 LEU A 22 -23.086 -13.643 19.950 1.00 0.00 C ATOM 0 H LEU A 22 -27.197 -15.168 18.261 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.570 -13.819 18.155 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.913 -14.101 20.280 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -25.731 -15.838 20.133 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.014 -14.618 21.631 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.148 -16.044 20.830 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -23.691 -16.930 20.796 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -22.998 -16.290 19.287 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.108 -13.583 20.428 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -22.958 -13.817 18.882 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -23.623 -12.707 20.103 1.00 0.00 H new ATOM 363 N LYS A 23 -23.357 -15.680 16.986 1.00 0.00 N ATOM 364 CA LYS A 23 -22.563 -16.801 16.406 1.00 0.00 C ATOM 365 C LYS A 23 -21.116 -16.705 16.891 1.00 0.00 C ATOM 366 O LYS A 23 -20.364 -15.855 16.461 1.00 0.00 O ATOM 367 CB LYS A 23 -22.600 -16.715 14.878 1.00 0.00 C ATOM 368 CG LYS A 23 -23.749 -17.573 14.351 1.00 0.00 C ATOM 369 CD LYS A 23 -23.587 -17.773 12.841 1.00 0.00 C ATOM 370 CE LYS A 23 -24.825 -17.238 12.117 1.00 0.00 C ATOM 371 NZ LYS A 23 -24.998 -17.961 10.826 1.00 0.00 N ATOM 0 H LYS A 23 -23.078 -14.747 16.682 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.989 -17.752 16.725 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.731 -15.679 14.564 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.654 -17.058 14.460 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -23.758 -18.538 14.857 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.704 -17.092 14.564 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.695 -17.255 12.489 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.451 -18.831 12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -25.709 -17.370 12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.719 -16.168 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -25.839 -17.597 10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -24.158 -17.814 10.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -25.118 -18.977 11.011 1.00 0.00 H new ATOM 385 N PRO A 24 -20.723 -17.604 17.808 1.00 0.00 N ATOM 386 CA PRO A 24 -19.364 -17.633 18.372 1.00 0.00 C ATOM 387 C PRO A 24 -18.306 -17.924 17.311 1.00 0.00 C ATOM 388 O PRO A 24 -18.290 -18.977 16.707 1.00 0.00 O ATOM 389 CB PRO A 24 -19.429 -18.771 19.395 1.00 0.00 C ATOM 390 CG PRO A 24 -20.545 -19.631 18.913 1.00 0.00 C ATOM 391 CD PRO A 24 -21.564 -18.678 18.360 1.00 0.00 C ATOM 0 HA PRO A 24 -19.078 -16.674 18.803 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.490 -19.323 19.437 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.622 -18.394 20.399 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.203 -20.329 18.149 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.962 -20.227 19.725 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.183 -19.144 17.593 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.238 -18.310 19.133 1.00 0.00 H new ATOM 399 N VAL A 25 -17.418 -16.996 17.079 1.00 0.00 N ATOM 400 CA VAL A 25 -16.357 -17.219 16.058 1.00 0.00 C ATOM 401 C VAL A 25 -14.995 -17.252 16.746 1.00 0.00 C ATOM 402 O VAL A 25 -14.803 -16.669 17.795 1.00 0.00 O ATOM 403 CB VAL A 25 -16.358 -16.076 15.040 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.752 -15.916 14.434 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.954 -14.776 15.739 1.00 0.00 C ATOM 0 H VAL A 25 -17.382 -16.093 17.553 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.551 -18.163 15.549 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.648 -16.303 14.245 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.743 -15.100 13.711 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.040 -16.841 13.934 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.469 -15.692 15.224 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.954 -13.960 15.017 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.664 -14.555 16.536 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.956 -14.886 16.163 1.00 0.00 H new ATOM 415 N CYS A 26 -14.042 -17.908 16.152 1.00 0.00 N ATOM 416 CA CYS A 26 -12.687 -17.953 16.760 1.00 0.00 C ATOM 417 C CYS A 26 -11.843 -16.846 16.128 1.00 0.00 C ATOM 418 O CYS A 26 -11.985 -16.541 14.962 1.00 0.00 O ATOM 419 CB CYS A 26 -12.046 -19.319 16.495 1.00 0.00 C ATOM 420 SG CYS A 26 -10.383 -19.350 17.207 1.00 0.00 S ATOM 0 H CYS A 26 -14.142 -18.415 15.272 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.750 -17.804 17.838 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.655 -20.110 16.932 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.998 -19.509 15.423 1.00 0.00 H new ATOM 425 N GLY A 27 -10.985 -16.222 16.885 1.00 0.00 N ATOM 426 CA GLY A 27 -10.159 -15.120 16.315 1.00 0.00 C ATOM 427 C GLY A 27 -8.785 -15.652 15.908 1.00 0.00 C ATOM 428 O GLY A 27 -8.200 -16.476 16.584 1.00 0.00 O ATOM 0 H GLY A 27 -10.820 -16.426 17.871 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.662 -14.688 15.450 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.046 -14.322 17.049 1.00 0.00 H new ATOM 432 N ASP A 28 -8.262 -15.182 14.808 1.00 0.00 N ATOM 433 CA ASP A 28 -6.922 -15.653 14.356 1.00 0.00 C ATOM 434 C ASP A 28 -5.853 -15.166 15.338 1.00 0.00 C ATOM 435 O ASP A 28 -4.705 -15.555 15.263 1.00 0.00 O ATOM 436 CB ASP A 28 -6.627 -15.091 12.964 1.00 0.00 C ATOM 437 CG ASP A 28 -6.630 -13.563 13.021 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.698 -13.031 14.116 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.565 -12.950 11.968 1.00 0.00 O ATOM 0 H ASP A 28 -8.706 -14.491 14.202 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.913 -16.742 14.318 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.660 -15.451 12.612 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.375 -15.441 12.253 1.00 0.00 H new ATOM 444 N ASP A 29 -6.223 -14.317 16.258 1.00 0.00 N ATOM 445 CA ASP A 29 -5.229 -13.805 17.242 1.00 0.00 C ATOM 446 C ASP A 29 -5.304 -14.637 18.523 1.00 0.00 C ATOM 447 O ASP A 29 -4.730 -14.290 19.536 1.00 0.00 O ATOM 448 CB ASP A 29 -5.539 -12.342 17.565 1.00 0.00 C ATOM 449 CG ASP A 29 -5.195 -11.468 16.357 1.00 0.00 C ATOM 450 OD1 ASP A 29 -4.685 -12.006 15.388 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.448 -10.276 16.422 1.00 0.00 O ATOM 0 H ASP A 29 -7.170 -13.956 16.370 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.227 -13.880 16.819 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.593 -12.230 17.820 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.965 -12.021 18.434 1.00 0.00 H new ATOM 456 N GLY A 30 -6.009 -15.735 18.487 1.00 0.00 N ATOM 457 CA GLY A 30 -6.122 -16.589 19.703 1.00 0.00 C ATOM 458 C GLY A 30 -7.261 -16.073 20.586 1.00 0.00 C ATOM 459 O GLY A 30 -7.403 -16.467 21.727 1.00 0.00 O ATOM 0 H GLY A 30 -6.511 -16.077 17.668 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.310 -17.624 19.417 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.184 -16.577 20.257 1.00 0.00 H new ATOM 463 N GLN A 31 -8.074 -15.195 20.066 1.00 0.00 N ATOM 464 CA GLN A 31 -9.205 -14.653 20.873 1.00 0.00 C ATOM 465 C GLN A 31 -10.532 -15.070 20.237 1.00 0.00 C ATOM 466 O GLN A 31 -10.635 -15.211 19.037 1.00 0.00 O ATOM 467 CB GLN A 31 -9.117 -13.128 20.905 1.00 0.00 C ATOM 468 CG GLN A 31 -8.175 -12.694 22.031 1.00 0.00 C ATOM 469 CD GLN A 31 -7.879 -11.198 21.898 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.543 -10.501 21.157 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.905 -10.674 22.590 1.00 0.00 N ATOM 0 H GLN A 31 -8.004 -14.829 19.117 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.149 -15.046 21.888 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.753 -12.754 19.948 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.107 -12.699 21.059 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.629 -12.901 23.000 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.248 -13.265 21.985 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.348 -11.260 23.212 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.700 -9.678 22.509 1.00 0.00 H new ATOM 480 N THR A 32 -11.550 -15.268 21.030 1.00 0.00 N ATOM 481 CA THR A 32 -12.869 -15.676 20.465 1.00 0.00 C ATOM 482 C THR A 32 -13.882 -14.546 20.651 1.00 0.00 C ATOM 483 O THR A 32 -13.784 -13.755 21.569 1.00 0.00 O ATOM 484 CB THR A 32 -13.369 -16.924 21.193 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.309 -17.864 21.302 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.524 -17.543 20.406 1.00 0.00 C ATOM 0 H THR A 32 -11.526 -15.165 22.044 1.00 0.00 H new ATOM 0 HA THR A 32 -12.754 -15.890 19.402 1.00 0.00 H new ATOM 0 HB THR A 32 -13.715 -16.651 22.190 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.730 -17.797 20.514 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.881 -18.433 20.924 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.336 -16.821 20.323 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.179 -17.817 19.409 1.00 0.00 H new ATOM 494 N TYR A 33 -14.857 -14.466 19.789 1.00 0.00 N ATOM 495 CA TYR A 33 -15.880 -13.392 19.915 1.00 0.00 C ATOM 496 C TYR A 33 -17.273 -14.016 19.855 1.00 0.00 C ATOM 497 O TYR A 33 -17.557 -14.841 19.009 1.00 0.00 O ATOM 498 CB TYR A 33 -15.712 -12.394 18.767 1.00 0.00 C ATOM 499 CG TYR A 33 -14.331 -11.786 18.832 1.00 0.00 C ATOM 500 CD1 TYR A 33 -14.085 -10.695 19.675 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.294 -12.316 18.053 1.00 0.00 C ATOM 502 CE1 TYR A 33 -12.803 -10.134 19.738 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.013 -11.754 18.116 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.768 -10.663 18.959 1.00 0.00 C ATOM 505 OH TYR A 33 -10.504 -10.111 19.023 1.00 0.00 O ATOM 0 H TYR A 33 -14.989 -15.100 19.001 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.755 -12.873 20.865 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.856 -12.895 17.810 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.469 -11.613 18.835 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.884 -10.286 20.276 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.483 -13.158 17.404 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.613 -9.293 20.388 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.214 -12.162 17.515 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.096 -10.327 19.888 1.00 0.00 H new ATOM 515 N ASN A 34 -18.147 -13.637 20.748 1.00 0.00 N ATOM 516 CA ASN A 34 -19.517 -14.222 20.732 1.00 0.00 C ATOM 517 C ASN A 34 -20.122 -14.047 19.339 1.00 0.00 C ATOM 518 O ASN A 34 -20.204 -14.978 18.570 1.00 0.00 O ATOM 519 CB ASN A 34 -20.400 -13.523 21.772 1.00 0.00 C ATOM 520 CG ASN A 34 -19.575 -13.194 23.015 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.611 -13.868 23.319 1.00 0.00 O ATOM 522 ND2 ASN A 34 -19.917 -12.175 23.752 1.00 0.00 N ATOM 0 H ASN A 34 -17.973 -12.952 21.483 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.460 -15.283 20.977 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.820 -12.610 21.351 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -21.239 -14.165 22.041 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -19.375 -11.943 24.584 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -20.726 -11.609 23.496 1.00 0.00 H new ATOM 529 N ASN A 35 -20.542 -12.860 19.007 1.00 0.00 N ATOM 530 CA ASN A 35 -21.132 -12.628 17.658 1.00 0.00 C ATOM 531 C ASN A 35 -20.003 -12.418 16.644 1.00 0.00 C ATOM 532 O ASN A 35 -18.969 -11.866 16.965 1.00 0.00 O ATOM 533 CB ASN A 35 -22.029 -11.388 17.715 1.00 0.00 C ATOM 534 CG ASN A 35 -22.479 -10.994 16.308 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.667 -10.659 15.469 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.751 -11.018 16.014 1.00 0.00 N ATOM 0 H ASN A 35 -20.503 -12.039 19.611 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.727 -13.489 17.353 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.899 -11.589 18.340 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.489 -10.561 18.177 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.063 -10.755 15.079 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.432 -11.299 16.719 1.00 0.00 H new ATOM 543 N PRO A 36 -20.205 -12.863 15.393 1.00 0.00 N ATOM 544 CA PRO A 36 -19.201 -12.718 14.327 1.00 0.00 C ATOM 545 C PRO A 36 -18.951 -11.247 13.989 1.00 0.00 C ATOM 546 O PRO A 36 -17.826 -10.786 13.979 1.00 0.00 O ATOM 547 CB PRO A 36 -19.835 -13.445 13.139 1.00 0.00 C ATOM 548 CG PRO A 36 -21.297 -13.399 13.420 1.00 0.00 C ATOM 549 CD PRO A 36 -21.420 -13.539 14.910 1.00 0.00 C ATOM 0 HA PRO A 36 -18.229 -13.122 14.611 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.595 -12.953 12.197 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.476 -14.471 13.063 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.734 -12.462 13.076 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.822 -14.204 12.905 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.326 -13.066 15.289 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.453 -14.584 15.218 1.00 0.00 H new ATOM 557 N CYS A 37 -19.988 -10.499 13.733 1.00 0.00 N ATOM 558 CA CYS A 37 -19.797 -9.057 13.422 1.00 0.00 C ATOM 559 C CYS A 37 -19.174 -8.387 14.648 1.00 0.00 C ATOM 560 O CYS A 37 -18.470 -7.402 14.547 1.00 0.00 O ATOM 561 CB CYS A 37 -21.151 -8.419 13.105 1.00 0.00 C ATOM 562 SG CYS A 37 -20.990 -6.616 13.086 1.00 0.00 S ATOM 0 H CYS A 37 -20.955 -10.823 13.726 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.145 -8.934 12.557 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.512 -8.771 12.139 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.888 -8.720 13.849 1.00 0.00 H new ATOM 567 N MET A 38 -19.426 -8.935 15.808 1.00 0.00 N ATOM 568 CA MET A 38 -18.849 -8.360 17.055 1.00 0.00 C ATOM 569 C MET A 38 -17.327 -8.529 17.033 1.00 0.00 C ATOM 570 O MET A 38 -16.605 -7.820 17.706 1.00 0.00 O ATOM 571 CB MET A 38 -19.428 -9.099 18.265 1.00 0.00 C ATOM 572 CG MET A 38 -20.706 -8.399 18.729 1.00 0.00 C ATOM 573 SD MET A 38 -20.304 -6.734 19.313 1.00 0.00 S ATOM 574 CE MET A 38 -19.352 -7.226 20.771 1.00 0.00 C ATOM 0 H MET A 38 -20.010 -9.760 15.944 1.00 0.00 H new ATOM 0 HA MET A 38 -19.096 -7.300 17.122 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.643 -10.135 18.003 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.698 -9.120 19.074 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.422 -8.345 17.909 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.178 -8.972 19.527 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.603 -6.573 21.607 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.592 -8.257 21.032 1.00 0.00 H new ATOM 0 HE3 MET A 38 -18.287 -7.146 20.554 1.00 0.00 H new ATOM 584 N LEU A 39 -16.833 -9.460 16.259 1.00 0.00 N ATOM 585 CA LEU A 39 -15.358 -9.664 16.192 1.00 0.00 C ATOM 586 C LEU A 39 -14.716 -8.420 15.590 1.00 0.00 C ATOM 587 O LEU A 39 -13.800 -7.849 16.148 1.00 0.00 O ATOM 588 CB LEU A 39 -15.048 -10.882 15.318 1.00 0.00 C ATOM 589 CG LEU A 39 -13.533 -11.020 15.156 1.00 0.00 C ATOM 590 CD1 LEU A 39 -13.149 -12.503 15.167 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.107 -10.398 13.827 1.00 0.00 C ATOM 0 H LEU A 39 -17.386 -10.085 15.673 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.961 -9.835 17.192 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.460 -11.783 15.772 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.521 -10.773 14.342 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.032 -10.509 15.978 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.070 -12.600 15.052 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.455 -12.951 16.113 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.649 -13.015 14.345 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.028 -10.495 13.709 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.609 -10.912 13.007 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.380 -9.343 13.815 1.00 0.00 H new ATOM 603 N CYS A 40 -15.199 -7.980 14.462 1.00 0.00 N ATOM 604 CA CYS A 40 -14.621 -6.757 13.844 1.00 0.00 C ATOM 605 C CYS A 40 -14.596 -5.655 14.902 1.00 0.00 C ATOM 606 O CYS A 40 -13.706 -4.830 14.944 1.00 0.00 O ATOM 607 CB CYS A 40 -15.487 -6.319 12.663 1.00 0.00 C ATOM 608 SG CYS A 40 -15.771 -7.728 11.563 1.00 0.00 S ATOM 0 H CYS A 40 -15.965 -8.412 13.945 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.612 -6.956 13.483 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -16.439 -5.928 13.022 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.996 -5.513 12.118 1.00 0.00 H new ATOM 613 N HIS A 41 -15.564 -5.649 15.773 1.00 0.00 N ATOM 614 CA HIS A 41 -15.590 -4.618 16.840 1.00 0.00 C ATOM 615 C HIS A 41 -14.250 -4.640 17.569 1.00 0.00 C ATOM 616 O HIS A 41 -13.640 -3.616 17.806 1.00 0.00 O ATOM 617 CB HIS A 41 -16.712 -4.941 17.821 1.00 0.00 C ATOM 618 CG HIS A 41 -17.178 -3.676 18.485 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.705 -2.615 17.765 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.196 -3.283 19.800 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.015 -1.644 18.643 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.725 -1.999 19.897 1.00 0.00 N ATOM 0 H HIS A 41 -16.337 -6.314 15.791 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.761 -3.631 16.409 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.542 -5.416 17.297 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.361 -5.650 18.571 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -17.834 -2.577 16.754 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -16.852 -3.879 20.632 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.446 -0.693 18.367 1.00 0.00 H new ATOM 630 N GLU A 42 -13.781 -5.807 17.913 1.00 0.00 N ATOM 631 CA GLU A 42 -12.473 -5.906 18.610 1.00 0.00 C ATOM 632 C GLU A 42 -11.386 -5.358 17.691 1.00 0.00 C ATOM 633 O GLU A 42 -10.298 -5.033 18.123 1.00 0.00 O ATOM 634 CB GLU A 42 -12.175 -7.371 18.933 1.00 0.00 C ATOM 635 CG GLU A 42 -11.196 -7.446 20.108 1.00 0.00 C ATOM 636 CD GLU A 42 -11.853 -6.860 21.359 1.00 0.00 C ATOM 637 OE1 GLU A 42 -13.065 -6.951 21.466 1.00 0.00 O ATOM 638 OE2 GLU A 42 -11.132 -6.330 22.189 1.00 0.00 O ATOM 0 H GLU A 42 -14.249 -6.696 17.740 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.502 -5.333 19.537 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.098 -7.895 19.181 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.751 -7.868 18.060 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.906 -8.481 20.288 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.285 -6.896 19.872 1.00 0.00 H new ATOM 645 N ASN A 43 -11.674 -5.248 16.421 1.00 0.00 N ATOM 646 CA ASN A 43 -10.647 -4.714 15.478 1.00 0.00 C ATOM 647 C ASN A 43 -10.605 -3.189 15.589 1.00 0.00 C ATOM 648 O ASN A 43 -9.566 -2.576 15.449 1.00 0.00 O ATOM 649 CB ASN A 43 -10.991 -5.106 14.037 1.00 0.00 C ATOM 650 CG ASN A 43 -10.838 -6.618 13.855 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.002 -7.067 13.098 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.616 -7.430 14.518 1.00 0.00 N ATOM 0 H ASN A 43 -12.567 -5.502 15.998 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.676 -5.135 15.737 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.012 -4.805 13.803 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.337 -4.580 13.342 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.520 -8.439 14.399 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.319 -7.056 15.155 1.00 0.00 H new ATOM 659 N LEU A 44 -11.728 -2.571 15.837 1.00 0.00 N ATOM 660 CA LEU A 44 -11.748 -1.084 15.953 1.00 0.00 C ATOM 661 C LEU A 44 -11.043 -0.655 17.242 1.00 0.00 C ATOM 662 O LEU A 44 -10.422 0.387 17.303 1.00 0.00 O ATOM 663 CB LEU A 44 -13.197 -0.592 15.980 1.00 0.00 C ATOM 664 CG LEU A 44 -13.899 -1.014 14.689 1.00 0.00 C ATOM 665 CD1 LEU A 44 -15.285 -0.368 14.628 1.00 0.00 C ATOM 666 CD2 LEU A 44 -13.067 -0.559 13.489 1.00 0.00 C ATOM 0 H LEU A 44 -12.630 -3.030 15.964 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.230 -0.651 15.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.718 -1.007 16.843 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.223 0.493 16.083 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.005 -2.099 14.667 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.786 -0.668 13.708 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.875 -0.692 15.485 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -15.182 0.717 14.648 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.565 -0.858 12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.962 0.526 13.509 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.080 -1.020 13.535 1.00 0.00 H new ATOM 678 N ILE A 45 -11.137 -1.448 18.273 1.00 0.00 N ATOM 679 CA ILE A 45 -10.474 -1.079 19.557 1.00 0.00 C ATOM 680 C ILE A 45 -8.982 -1.403 19.477 1.00 0.00 C ATOM 681 O ILE A 45 -8.140 -0.573 19.762 1.00 0.00 O ATOM 682 CB ILE A 45 -11.106 -1.873 20.702 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.621 -1.948 20.501 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.803 -1.180 22.032 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.178 -0.539 20.289 1.00 0.00 C ATOM 0 H ILE A 45 -11.643 -2.334 18.283 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.603 -0.012 19.737 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.692 -2.881 20.713 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.854 -2.576 19.641 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.091 -2.410 21.369 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.253 -1.746 22.848 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.724 -1.129 22.178 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.216 -0.171 22.019 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.257 -0.592 20.146 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.958 0.075 21.163 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.716 -0.094 19.407 1.00 0.00 H new ATOM 697 N ARG A 46 -8.645 -2.606 19.098 1.00 0.00 N ATOM 698 CA ARG A 46 -7.205 -2.983 19.008 1.00 0.00 C ATOM 699 C ARG A 46 -6.626 -2.506 17.675 1.00 0.00 C ATOM 700 O ARG A 46 -5.472 -2.135 17.586 1.00 0.00 O ATOM 701 CB ARG A 46 -7.070 -4.504 19.107 1.00 0.00 C ATOM 702 CG ARG A 46 -7.534 -4.969 20.489 1.00 0.00 C ATOM 703 CD ARG A 46 -7.249 -6.464 20.647 1.00 0.00 C ATOM 704 NE ARG A 46 -7.835 -6.948 21.928 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.680 -6.253 23.021 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.580 -5.578 23.216 1.00 0.00 N ATOM 707 NH2 ARG A 46 -8.626 -6.232 23.920 1.00 0.00 N ATOM 0 H ARG A 46 -9.304 -3.343 18.847 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.659 -2.513 19.826 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.666 -4.984 18.331 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.034 -4.799 18.941 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.018 -4.405 21.266 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.600 -4.776 20.610 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.673 -7.017 19.809 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.174 -6.643 20.636 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.358 -7.824 21.951 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.841 -5.594 22.513 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.460 -5.035 24.071 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.486 -6.759 23.768 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.505 -5.689 24.775 1.00 0.00 H new ATOM 721 N GLN A 47 -7.415 -2.515 16.638 1.00 0.00 N ATOM 722 CA GLN A 47 -6.906 -2.065 15.310 1.00 0.00 C ATOM 723 C GLN A 47 -5.771 -2.989 14.860 1.00 0.00 C ATOM 724 O GLN A 47 -4.808 -2.556 14.258 1.00 0.00 O ATOM 725 CB GLN A 47 -6.381 -0.631 15.418 1.00 0.00 C ATOM 726 CG GLN A 47 -7.523 0.305 15.817 1.00 0.00 C ATOM 727 CD GLN A 47 -7.001 1.743 15.885 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.807 1.969 15.881 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.851 2.731 15.945 1.00 0.00 N ATOM 0 H GLN A 47 -8.390 -2.814 16.651 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.717 -2.099 14.582 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.581 -0.581 16.157 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.955 -0.316 14.465 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.335 0.235 15.093 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.931 0.008 16.783 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.853 2.542 15.948 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.513 3.692 15.988 1.00 0.00 H new ATOM 738 N THR A 48 -5.875 -4.258 15.147 1.00 0.00 N ATOM 739 CA THR A 48 -4.800 -5.206 14.734 1.00 0.00 C ATOM 740 C THR A 48 -5.256 -5.997 13.505 1.00 0.00 C ATOM 741 O THR A 48 -4.562 -6.873 13.029 1.00 0.00 O ATOM 742 CB THR A 48 -4.507 -6.176 15.882 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.627 -7.031 16.074 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.237 -5.390 17.164 1.00 0.00 C ATOM 0 H THR A 48 -6.657 -4.679 15.649 1.00 0.00 H new ATOM 0 HA THR A 48 -3.898 -4.645 14.490 1.00 0.00 H new ATOM 0 HB THR A 48 -3.629 -6.774 15.637 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.608 -7.750 15.408 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.029 -6.083 17.979 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.378 -4.736 17.016 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.112 -4.789 17.413 1.00 0.00 H new ATOM 752 N ASN A 49 -6.416 -5.696 12.990 1.00 0.00 N ATOM 753 CA ASN A 49 -6.914 -6.433 11.795 1.00 0.00 C ATOM 754 C ASN A 49 -7.152 -7.897 12.161 1.00 0.00 C ATOM 755 O ASN A 49 -6.729 -8.800 11.467 1.00 0.00 O ATOM 756 CB ASN A 49 -5.879 -6.348 10.671 1.00 0.00 C ATOM 757 CG ASN A 49 -5.541 -4.880 10.399 1.00 0.00 C ATOM 758 OD1 ASN A 49 -4.386 -4.521 10.283 1.00 0.00 O ATOM 759 ND2 ASN A 49 -6.508 -4.010 10.292 1.00 0.00 N ATOM 0 H ASN A 49 -7.040 -4.972 13.345 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.850 -5.986 11.459 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.978 -6.894 10.950 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.269 -6.816 9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.294 -3.029 10.111 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.478 -4.311 10.389 1.00 0.00 H new ATOM 766 N THR A 50 -7.829 -8.141 13.249 1.00 0.00 N ATOM 767 CA THR A 50 -8.097 -9.547 13.663 1.00 0.00 C ATOM 768 C THR A 50 -9.274 -10.103 12.860 1.00 0.00 C ATOM 769 O THR A 50 -10.310 -9.479 12.748 1.00 0.00 O ATOM 770 CB THR A 50 -8.442 -9.586 15.154 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.400 -8.965 15.895 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.598 -11.040 15.605 1.00 0.00 C ATOM 0 H THR A 50 -8.209 -7.426 13.870 1.00 0.00 H new ATOM 0 HA THR A 50 -7.209 -10.151 13.477 1.00 0.00 H new ATOM 0 HB THR A 50 -9.377 -9.053 15.326 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.563 -9.457 15.758 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.844 -11.067 16.667 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.397 -11.514 15.035 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.664 -11.576 15.435 1.00 0.00 H new ATOM 780 N HIS A 51 -9.125 -11.272 12.304 1.00 0.00 N ATOM 781 CA HIS A 51 -10.237 -11.868 11.512 1.00 0.00 C ATOM 782 C HIS A 51 -10.747 -13.124 12.219 1.00 0.00 C ATOM 783 O HIS A 51 -10.364 -13.420 13.334 1.00 0.00 O ATOM 784 CB HIS A 51 -9.731 -12.241 10.118 1.00 0.00 C ATOM 785 CG HIS A 51 -8.712 -11.230 9.668 1.00 0.00 C ATOM 786 ND1 HIS A 51 -9.074 -9.994 9.155 1.00 0.00 N ATOM 787 CD2 HIS A 51 -7.339 -11.257 9.649 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.941 -9.334 8.852 1.00 0.00 C ATOM 789 NE2 HIS A 51 -6.855 -10.058 9.134 1.00 0.00 N ATOM 0 H HIS A 51 -8.281 -11.841 12.364 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.047 -11.144 11.422 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.288 -13.237 10.134 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.563 -12.273 9.414 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.728 -12.083 9.983 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.913 -8.339 8.432 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.880 -9.790 9.001 1.00 0.00 H new ATOM 797 N ILE A 52 -11.605 -13.867 11.578 1.00 0.00 N ATOM 798 CA ILE A 52 -12.135 -15.104 12.214 1.00 0.00 C ATOM 799 C ILE A 52 -11.220 -16.284 11.881 1.00 0.00 C ATOM 800 O ILE A 52 -10.925 -16.551 10.733 1.00 0.00 O ATOM 801 CB ILE A 52 -13.541 -15.393 11.693 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.466 -14.224 12.040 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.066 -16.671 12.349 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.893 -14.563 11.611 1.00 0.00 C ATOM 0 H ILE A 52 -11.962 -13.671 10.643 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.172 -14.962 13.294 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.512 -15.520 10.611 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.434 -14.026 13.111 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.129 -13.317 11.538 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.070 -16.883 11.981 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.406 -17.503 12.104 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.096 -16.539 13.431 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.554 -13.732 11.857 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.917 -14.740 10.536 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.227 -15.459 12.134 1.00 0.00 H new ATOM 816 N ARG A 53 -10.775 -16.993 12.879 1.00 0.00 N ATOM 817 CA ARG A 53 -9.884 -18.159 12.632 1.00 0.00 C ATOM 818 C ARG A 53 -10.731 -19.365 12.240 1.00 0.00 C ATOM 819 O ARG A 53 -10.404 -20.103 11.331 1.00 0.00 O ATOM 820 CB ARG A 53 -9.116 -18.487 13.911 1.00 0.00 C ATOM 821 CG ARG A 53 -8.190 -19.677 13.657 1.00 0.00 C ATOM 822 CD ARG A 53 -7.264 -19.870 14.857 1.00 0.00 C ATOM 823 NE ARG A 53 -6.343 -21.010 14.594 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.481 -20.941 13.616 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.209 -20.805 13.876 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.890 -21.009 12.378 1.00 0.00 N ATOM 0 H ARG A 53 -10.991 -16.814 13.860 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.185 -17.921 11.831 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.535 -17.622 14.231 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.812 -18.719 14.717 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.778 -20.579 13.490 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.602 -19.508 12.755 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.692 -18.960 15.038 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.850 -20.062 15.755 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.386 -21.845 15.178 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.889 -20.753 14.843 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.535 -20.751 13.112 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.884 -21.116 12.174 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.216 -20.955 11.614 1.00 0.00 H new ATOM 840 N SER A 54 -11.815 -19.572 12.929 1.00 0.00 N ATOM 841 CA SER A 54 -12.691 -20.731 12.616 1.00 0.00 C ATOM 842 C SER A 54 -14.083 -20.485 13.199 1.00 0.00 C ATOM 843 O SER A 54 -14.231 -19.872 14.238 1.00 0.00 O ATOM 844 CB SER A 54 -12.092 -21.996 13.236 1.00 0.00 C ATOM 845 OG SER A 54 -11.067 -22.498 12.392 1.00 0.00 O ATOM 0 H SER A 54 -12.134 -18.985 13.700 1.00 0.00 H new ATOM 0 HA SER A 54 -12.767 -20.855 11.536 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.688 -21.773 14.224 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.868 -22.750 13.371 1.00 0.00 H new ATOM 0 HG SER A 54 -10.768 -21.790 11.784 1.00 0.00 H new ATOM 851 N THR A 55 -15.105 -20.955 12.541 1.00 0.00 N ATOM 852 CA THR A 55 -16.484 -20.744 13.062 1.00 0.00 C ATOM 853 C THR A 55 -16.622 -21.418 14.429 1.00 0.00 C ATOM 854 O THR A 55 -16.070 -22.474 14.671 1.00 0.00 O ATOM 855 CB THR A 55 -17.498 -21.350 12.089 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.459 -22.766 12.188 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.153 -20.926 10.661 1.00 0.00 C ATOM 0 H THR A 55 -15.045 -21.476 11.666 1.00 0.00 H new ATOM 0 HA THR A 55 -16.673 -19.675 13.163 1.00 0.00 H new ATOM 0 HB THR A 55 -18.498 -20.996 12.339 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.109 -23.155 11.567 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.876 -21.358 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.184 -19.839 10.587 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.153 -21.278 10.408 1.00 0.00 H new ATOM 865 N GLY A 56 -17.356 -20.816 15.324 1.00 0.00 N ATOM 866 CA GLY A 56 -17.533 -21.418 16.675 1.00 0.00 C ATOM 867 C GLY A 56 -16.402 -20.960 17.595 1.00 0.00 C ATOM 868 O GLY A 56 -15.373 -20.493 17.151 1.00 0.00 O ATOM 0 H GLY A 56 -17.842 -19.931 15.177 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.496 -21.123 17.092 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.537 -22.506 16.601 1.00 0.00 H new ATOM 872 N LYS A 57 -16.595 -21.094 18.875 1.00 0.00 N ATOM 873 CA LYS A 57 -15.542 -20.672 19.842 1.00 0.00 C ATOM 874 C LYS A 57 -14.211 -21.333 19.473 1.00 0.00 C ATOM 875 O LYS A 57 -14.177 -22.398 18.888 1.00 0.00 O ATOM 876 CB LYS A 57 -15.951 -21.100 21.255 1.00 0.00 C ATOM 877 CG LYS A 57 -14.994 -20.486 22.277 1.00 0.00 C ATOM 878 CD LYS A 57 -15.241 -21.120 23.647 1.00 0.00 C ATOM 879 CE LYS A 57 -14.431 -20.377 24.710 1.00 0.00 C ATOM 880 NZ LYS A 57 -15.031 -20.626 26.052 1.00 0.00 N ATOM 0 H LYS A 57 -17.440 -21.479 19.297 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.428 -19.589 19.806 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.972 -20.780 21.461 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.935 -22.187 21.335 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.961 -20.649 21.969 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.144 -19.408 22.330 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.303 -21.081 23.891 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.957 -22.172 23.628 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.394 -20.714 24.695 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.422 -19.308 24.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.482 -20.122 26.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.013 -20.284 26.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.017 -21.646 26.255 1.00 0.00 H new ATOM 894 N CYS A 58 -13.115 -20.709 19.810 1.00 0.00 N ATOM 895 CA CYS A 58 -11.784 -21.297 19.482 1.00 0.00 C ATOM 896 C CYS A 58 -11.660 -22.678 20.131 1.00 0.00 C ATOM 897 O CYS A 58 -10.890 -23.512 19.699 1.00 0.00 O ATOM 898 CB CYS A 58 -10.680 -20.391 20.030 1.00 0.00 C ATOM 899 SG CYS A 58 -10.673 -18.820 19.132 1.00 0.00 S ATOM 0 H CYS A 58 -13.084 -19.815 20.300 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.687 -21.388 18.400 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.839 -20.212 21.093 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.712 -20.881 19.930 1.00 0.00 H new ATOM 904 N GLU A 59 -12.408 -22.919 21.170 1.00 0.00 N ATOM 905 CA GLU A 59 -12.329 -24.240 21.856 1.00 0.00 C ATOM 906 C GLU A 59 -13.140 -25.272 21.073 1.00 0.00 C ATOM 907 O GLU A 59 -12.929 -26.462 21.195 1.00 0.00 O ATOM 908 CB GLU A 59 -12.897 -24.114 23.272 1.00 0.00 C ATOM 909 CG GLU A 59 -13.042 -25.507 23.888 1.00 0.00 C ATOM 910 CD GLU A 59 -13.705 -25.390 25.262 1.00 0.00 C ATOM 911 OE1 GLU A 59 -14.264 -24.343 25.541 1.00 0.00 O ATOM 912 OE2 GLU A 59 -13.643 -26.351 26.012 1.00 0.00 O ATOM 0 H GLU A 59 -13.072 -22.259 21.575 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.288 -24.560 21.908 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.239 -23.500 23.886 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.865 -23.614 23.244 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.640 -26.144 23.237 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.064 -25.978 23.983 1.00 0.00 H new ATOM 919 N GLU A 60 -14.061 -24.827 20.266 1.00 0.00 N ATOM 920 CA GLU A 60 -14.878 -25.789 19.474 1.00 0.00 C ATOM 921 C GLU A 60 -14.028 -26.356 18.338 1.00 0.00 C ATOM 922 O GLU A 60 -14.177 -27.496 17.945 1.00 0.00 O ATOM 923 CB GLU A 60 -16.092 -25.068 18.885 1.00 0.00 C ATOM 924 CG GLU A 60 -16.576 -23.997 19.861 1.00 0.00 C ATOM 925 CD GLU A 60 -18.052 -23.699 19.594 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.479 -23.887 18.468 1.00 0.00 O ATOM 927 OE2 GLU A 60 -18.731 -23.288 20.522 1.00 0.00 O ATOM 0 H GLU A 60 -14.284 -23.842 20.120 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.216 -26.598 20.122 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.829 -24.612 17.930 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.891 -25.782 18.688 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.442 -24.337 20.888 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.983 -23.089 19.746 1.00 0.00 H new ATOM 934 N SER A 61 -13.135 -25.566 17.809 1.00 0.00 N ATOM 935 CA SER A 61 -12.272 -26.052 16.696 1.00 0.00 C ATOM 936 C SER A 61 -11.269 -27.074 17.234 1.00 0.00 C ATOM 937 O SER A 61 -10.550 -27.706 16.486 1.00 0.00 O ATOM 938 CB SER A 61 -11.518 -24.871 16.085 1.00 0.00 C ATOM 939 OG SER A 61 -10.625 -24.329 17.046 1.00 0.00 O ATOM 0 H SER A 61 -12.965 -24.603 18.100 1.00 0.00 H new ATOM 0 HA SER A 61 -12.893 -26.522 15.934 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.966 -25.196 15.203 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.223 -24.107 15.757 1.00 0.00 H new ATOM 0 HG SER A 61 -11.121 -24.094 17.858 1.00 0.00 H new ATOM 945 N SER A 62 -11.211 -27.241 18.528 1.00 0.00 N ATOM 946 CA SER A 62 -10.254 -28.221 19.110 1.00 0.00 C ATOM 947 C SER A 62 -10.877 -29.619 19.091 1.00 0.00 C ATOM 948 O SER A 62 -12.031 -29.789 18.751 1.00 0.00 O ATOM 949 CB SER A 62 -9.934 -27.826 20.554 1.00 0.00 C ATOM 950 OG SER A 62 -11.026 -28.179 21.392 1.00 0.00 O ATOM 0 H SER A 62 -11.786 -26.740 19.206 1.00 0.00 H new ATOM 0 HA SER A 62 -9.337 -28.224 18.521 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.027 -28.330 20.888 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.745 -26.754 20.616 1.00 0.00 H new ATOM 0 HG SER A 62 -11.851 -27.788 21.036 1.00 0.00 H new ATOM 956 N THR A 63 -10.122 -30.620 19.453 1.00 0.00 N ATOM 957 CA THR A 63 -10.671 -32.005 19.455 1.00 0.00 C ATOM 958 C THR A 63 -10.522 -32.607 20.854 1.00 0.00 C ATOM 959 O THR A 63 -9.732 -32.148 21.654 1.00 0.00 O ATOM 960 CB THR A 63 -9.899 -32.857 18.444 1.00 0.00 C ATOM 961 OG1 THR A 63 -8.564 -33.031 18.897 1.00 0.00 O ATOM 962 CG2 THR A 63 -9.893 -32.157 17.085 1.00 0.00 C ATOM 0 H THR A 63 -9.149 -30.538 19.747 1.00 0.00 H new ATOM 0 HA THR A 63 -11.726 -31.983 19.180 1.00 0.00 H new ATOM 0 HB THR A 63 -10.379 -33.831 18.345 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.068 -33.578 18.252 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.343 -32.764 16.366 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.918 -32.024 16.740 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.413 -31.183 17.180 1.00 0.00 H new ATOM 970 N PRO A 64 -11.303 -33.657 21.152 1.00 0.00 N ATOM 971 CA PRO A 64 -11.263 -34.327 22.458 1.00 0.00 C ATOM 972 C PRO A 64 -9.951 -35.090 22.665 1.00 0.00 C ATOM 973 O PRO A 64 -9.525 -35.852 21.822 1.00 0.00 O ATOM 974 CB PRO A 64 -12.434 -35.308 22.392 1.00 0.00 C ATOM 975 CG PRO A 64 -12.630 -35.559 20.936 1.00 0.00 C ATOM 976 CD PRO A 64 -12.284 -34.273 20.241 1.00 0.00 C ATOM 0 HA PRO A 64 -11.329 -33.619 23.284 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.209 -36.231 22.927 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.331 -34.887 22.846 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.991 -36.372 20.591 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -13.659 -35.851 20.726 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -11.861 -34.450 19.252 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.161 -33.640 20.104 1.00 0.00 H new ATOM 984 N GLY A 65 -9.309 -34.887 23.783 1.00 0.00 N ATOM 985 CA GLY A 65 -8.025 -35.598 24.045 1.00 0.00 C ATOM 986 C GLY A 65 -8.314 -37.060 24.391 1.00 0.00 C ATOM 987 O GLY A 65 -9.407 -37.551 24.192 1.00 0.00 O ATOM 0 H GLY A 65 -9.618 -34.260 24.526 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.380 -35.541 23.168 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.491 -35.118 24.865 1.00 0.00 H new ATOM 991 N THR A 66 -7.341 -37.759 24.908 1.00 0.00 N ATOM 992 CA THR A 66 -7.559 -39.189 25.266 1.00 0.00 C ATOM 993 C THR A 66 -8.488 -39.272 26.479 1.00 0.00 C ATOM 994 O THR A 66 -9.249 -40.208 26.628 1.00 0.00 O ATOM 995 CB THR A 66 -6.218 -39.843 25.604 1.00 0.00 C ATOM 996 OG1 THR A 66 -5.320 -39.664 24.520 1.00 0.00 O ATOM 997 CG2 THR A 66 -6.427 -41.337 25.857 1.00 0.00 C ATOM 0 H THR A 66 -6.405 -37.402 25.098 1.00 0.00 H new ATOM 0 HA THR A 66 -8.012 -39.710 24.423 1.00 0.00 H new ATOM 0 HB THR A 66 -5.802 -39.381 26.499 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.460 -40.081 24.736 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.471 -41.802 26.098 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.116 -41.472 26.690 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.842 -41.803 24.963 1.00 0.00 H new ATOM 1005 N THR A 67 -8.431 -38.301 27.347 1.00 0.00 N ATOM 1006 CA THR A 67 -9.311 -38.324 28.548 1.00 0.00 C ATOM 1007 C THR A 67 -10.772 -38.212 28.109 1.00 0.00 C ATOM 1008 O THR A 67 -11.666 -38.727 28.750 1.00 0.00 O ATOM 1009 CB THR A 67 -8.960 -37.148 29.462 1.00 0.00 C ATOM 1010 OG1 THR A 67 -7.582 -37.210 29.802 1.00 0.00 O ATOM 1011 CG2 THR A 67 -9.805 -37.218 30.735 1.00 0.00 C ATOM 0 H THR A 67 -7.813 -37.493 27.277 1.00 0.00 H new ATOM 0 HA THR A 67 -9.164 -39.259 29.089 1.00 0.00 H new ATOM 0 HB THR A 67 -9.165 -36.211 28.944 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.355 -36.457 30.386 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.554 -36.380 31.385 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.862 -37.170 30.473 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.602 -38.154 31.255 1.00 0.00 H new ATOM 1019 N ALA A 68 -11.021 -37.544 27.016 1.00 0.00 N ATOM 1020 CA ALA A 68 -12.423 -37.400 26.533 1.00 0.00 C ATOM 1021 C ALA A 68 -12.869 -38.707 25.876 1.00 0.00 C ATOM 1022 O ALA A 68 -14.034 -39.050 25.881 1.00 0.00 O ATOM 1023 CB ALA A 68 -12.497 -36.263 25.512 1.00 0.00 C ATOM 0 H ALA A 68 -10.314 -37.092 26.437 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.078 -37.173 27.375 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.523 -36.158 25.159 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.177 -35.332 25.980 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.844 -36.488 24.669 1.00 0.00 H new ATOM 1029 N ALA A 69 -11.949 -39.441 25.311 1.00 0.00 N ATOM 1030 CA ALA A 69 -12.320 -40.726 24.653 1.00 0.00 C ATOM 1031 C ALA A 69 -12.756 -41.733 25.719 1.00 0.00 C ATOM 1032 O ALA A 69 -12.214 -41.775 26.807 1.00 0.00 O ATOM 1033 CB ALA A 69 -11.113 -41.278 23.893 1.00 0.00 C ATOM 0 H ALA A 69 -10.957 -39.206 25.277 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.140 -40.555 23.955 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.385 -42.218 23.412 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.800 -40.559 23.135 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.292 -41.451 24.589 1.00 0.00 H new ATOM 1039 N SER A 70 -13.731 -42.546 25.419 1.00 0.00 N ATOM 1040 CA SER A 70 -14.201 -43.549 26.416 1.00 0.00 C ATOM 1041 C SER A 70 -13.030 -44.439 26.838 1.00 0.00 C ATOM 1042 O SER A 70 -12.994 -44.952 27.938 1.00 0.00 O ATOM 1043 CB SER A 70 -15.298 -44.413 25.792 1.00 0.00 C ATOM 1044 OG SER A 70 -14.734 -45.238 24.782 1.00 0.00 O ATOM 0 H SER A 70 -14.223 -42.559 24.526 1.00 0.00 H new ATOM 0 HA SER A 70 -14.597 -43.032 27.290 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.771 -45.029 26.557 1.00 0.00 H new ATOM 0 HB3 SER A 70 -16.077 -43.780 25.367 1.00 0.00 H new ATOM 0 HG SER A 70 -15.436 -45.793 24.383 1.00 0.00 H new ATOM 1050 N MET A 71 -12.072 -44.626 25.971 1.00 0.00 N ATOM 1051 CA MET A 71 -10.906 -45.483 26.326 1.00 0.00 C ATOM 1052 C MET A 71 -10.184 -44.888 27.536 1.00 0.00 C ATOM 1053 O MET A 71 -10.150 -43.688 27.721 1.00 0.00 O ATOM 1054 CB MET A 71 -9.944 -45.553 25.139 1.00 0.00 C ATOM 1055 CG MET A 71 -10.157 -46.870 24.389 1.00 0.00 C ATOM 1056 SD MET A 71 -9.106 -46.904 22.916 1.00 0.00 S ATOM 1057 CE MET A 71 -9.720 -48.466 22.238 1.00 0.00 C ATOM 0 H MET A 71 -12.047 -44.223 25.034 1.00 0.00 H new ATOM 0 HA MET A 71 -11.254 -46.487 26.570 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.113 -44.709 24.470 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.914 -45.483 25.487 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.919 -47.713 25.038 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.204 -46.973 24.104 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.199 -48.689 21.307 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.542 -49.268 22.954 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.789 -48.383 22.044 1.00 0.00 H new ATOM 1067 N PRO A 72 -9.598 -45.754 28.378 1.00 0.00 N ATOM 1068 CA PRO A 72 -8.874 -45.324 29.580 1.00 0.00 C ATOM 1069 C PRO A 72 -7.557 -44.623 29.232 1.00 0.00 C ATOM 1070 O PRO A 72 -7.091 -44.677 28.111 1.00 0.00 O ATOM 1071 CB PRO A 72 -8.587 -46.635 30.312 1.00 0.00 C ATOM 1072 CG PRO A 72 -8.593 -47.673 29.241 1.00 0.00 C ATOM 1073 CD PRO A 72 -9.597 -47.218 28.219 1.00 0.00 C ATOM 0 HA PRO A 72 -9.447 -44.607 30.167 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.626 -46.600 30.825 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.345 -46.841 31.068 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.604 -47.777 28.795 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.865 -48.648 29.646 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.307 -47.513 27.211 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.583 -47.644 28.405 1.00 0.00 H new ATOM 1081 N PRO A 73 -6.950 -43.952 30.221 1.00 0.00 N ATOM 1082 CA PRO A 73 -5.683 -43.235 30.031 1.00 0.00 C ATOM 1083 C PRO A 73 -4.511 -44.198 29.823 1.00 0.00 C ATOM 1084 O PRO A 73 -4.572 -45.353 30.196 1.00 0.00 O ATOM 1085 CB PRO A 73 -5.504 -42.472 31.343 1.00 0.00 C ATOM 1086 CG PRO A 73 -6.282 -43.258 32.344 1.00 0.00 C ATOM 1087 CD PRO A 73 -7.451 -43.840 31.602 1.00 0.00 C ATOM 0 HA PRO A 73 -5.703 -42.595 29.149 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.453 -42.405 31.622 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.878 -41.451 31.262 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.669 -44.045 32.783 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.618 -42.622 33.163 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.741 -44.810 32.005 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.328 -43.195 31.661 1.00 0.00 H new ATOM 1095 N SER A 74 -3.446 -43.733 29.231 1.00 0.00 N ATOM 1096 CA SER A 74 -2.274 -44.624 29.001 1.00 0.00 C ATOM 1097 C SER A 74 -0.989 -43.885 29.376 1.00 0.00 C ATOM 1098 O SER A 74 -0.870 -42.690 29.185 1.00 0.00 O ATOM 1099 CB SER A 74 -2.220 -45.024 27.525 1.00 0.00 C ATOM 1100 OG SER A 74 -3.433 -45.667 27.163 1.00 0.00 O ATOM 0 H SER A 74 -3.336 -42.776 28.897 1.00 0.00 H new ATOM 0 HA SER A 74 -2.371 -45.518 29.617 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.064 -44.142 26.904 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.376 -45.691 27.349 1.00 0.00 H new ATOM 0 HG SER A 74 -3.399 -45.922 26.217 1.00 0.00 H new ATOM 1106 N ASP A 75 -0.026 -44.582 29.910 1.00 0.00 N ATOM 1107 CA ASP A 75 1.251 -43.918 30.297 1.00 0.00 C ATOM 1108 C ASP A 75 1.867 -43.244 29.069 1.00 0.00 C ATOM 1109 O ASP A 75 2.467 -42.193 29.162 1.00 0.00 O ATOM 1110 CB ASP A 75 2.224 -44.963 30.847 1.00 0.00 C ATOM 1111 CG ASP A 75 1.636 -45.591 32.113 1.00 0.00 C ATOM 1112 OD1 ASP A 75 0.674 -45.046 32.628 1.00 0.00 O ATOM 1113 OD2 ASP A 75 2.160 -46.605 32.545 1.00 0.00 O ATOM 0 H ASP A 75 -0.067 -45.584 30.096 1.00 0.00 H new ATOM 0 HA ASP A 75 1.053 -43.168 31.063 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.409 -45.733 30.098 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.185 -44.499 31.071 1.00 0.00 H new ATOM 1118 N GLU A 76 1.722 -43.842 27.919 1.00 0.00 N ATOM 1119 CA GLU A 76 2.300 -43.235 26.686 1.00 0.00 C ATOM 1120 C GLU A 76 1.989 -44.129 25.484 1.00 0.00 C ATOM 1121 O GLU A 76 1.593 -45.262 25.700 1.00 0.00 O ATOM 1122 CB GLU A 76 3.816 -43.103 26.846 1.00 0.00 C ATOM 1123 CG GLU A 76 4.381 -42.278 25.688 1.00 0.00 C ATOM 1124 CD GLU A 76 5.904 -42.195 25.817 1.00 0.00 C ATOM 1125 OE1 GLU A 76 6.431 -42.765 26.758 1.00 0.00 O ATOM 1126 OE2 GLU A 76 6.516 -41.564 24.972 1.00 0.00 O ATOM 1127 OXT GLU A 76 2.152 -43.664 24.368 1.00 0.00 O ATOM 0 H GLU A 76 1.229 -44.724 27.779 1.00 0.00 H new ATOM 0 HA GLU A 76 1.864 -42.249 26.527 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.052 -42.624 27.797 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.278 -44.090 26.863 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.110 -42.734 24.736 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.949 -41.277 25.696 1.00 0.00 H new TER 1134 GLU A 76