USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 852 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: B 38 GLN : amide:sc= 0.63 K(o=2.6,f=-0.24) USER MOD Set 1.2: B 39 GLN : amide:sc= 1.97 K(o=2.6,f=-0.076) USER MOD Set 2.1: B 17 CYS SG : rot 177:sc= 0.416 USER MOD Set 2.2: B 46 SER OG : rot 164:sc= 0.868 USER MOD Set 3.1: A 56 GLN : amide:sc= 2.49 K(o=4.6,f=-7.4!) USER MOD Set 3.2: B 2 SER OG : rot 138:sc= 2.11 USER MOD Set 4.1: A 17 CYS SG : rot -32:sc= -0.353 USER MOD Set 4.2: A 46 SER OG : rot 136:sc= 0.909 USER MOD Set 5.1: A 44 THR OG1 : rot 46:sc= 2.54 USER MOD Set 5.2: B 8 GLN : amide:sc= 0.467 K(o=6.2,f=4.2) USER MOD Set 5.3: B 29 SER OG : rot 178:sc= 1.87 USER MOD Set 5.4: B 30 SER OG : rot 85:sc= 1.31 USER MOD Set 6.1: A 8 GLN : amide:sc= 0.418 X(o=1.1,f=0.74) USER MOD Set 6.2: A 30 SER OG : rot 180:sc= 0.696 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.118 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.131 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.471 K(o=-0.47,f=-5!) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.36 (180deg=1.2) USER MOD Single : A 14 CYS SG : rot 171:sc= 1.25 USER MOD Single : A 16 CYS SG : rot -176:sc= -1.07! USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 2.34 (180deg=2.09) USER MOD Single : A 26 THR OG1 : rot 51:sc= 0.22 USER MOD Single : A 29 SER OG : rot 180:sc= -0.252 USER MOD Single : A 36 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 38 GLN : amide:sc=-0.000355 X(o=-0.00036,f=0) USER MOD Single : A 39 GLN : amide:sc= 1.2 K(o=1.2,f=-0.064) USER MOD Single : A 43 SER OG : rot -103:sc= 0.913 USER MOD Single : A 54 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 55 ASN : amide:sc= -0.602 K(o=-0.6,f=-2.7!) USER MOD Single : B 1 GLY N :NH3+ -159:sc= 0 (180deg=-0.464) USER MOD Single : B 3 HIS : no HE2:sc= 0.822 K(o=0.82,f=-4.8!) USER MOD Single : B 4 MET CE :methyl -169:sc= -0.0318 (180deg=-0.218) USER MOD Single : B 10 HIS : no HE2:sc= -0.426 K(o=-0.43,f=-2.4) USER MOD Single : B 11 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.2) USER MOD Single : B 14 CYS SG : rot 157:sc= 0.295 USER MOD Single : B 16 CYS SG : rot 145:sc= 0.124 USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 THR OG1 : rot 58:sc= 0.592 USER MOD Single : B 36 THR OG1 : rot 91:sc= 1.19 USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 THR OG1 : rot 157:sc= 0.728 USER MOD Single : B 54 THR OG1 : rot 99:sc= 1.19 USER MOD Single : B 55 ASN : amide:sc= 1.24 K(o=1.2,f=-0.021) USER MOD Single : B 56 GLN : amide:sc= 2.2 K(o=2.2,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.974 10.466 4.355 1.00 0.00 N ATOM 2 CA GLY A 1 -27.264 9.600 3.199 1.00 0.00 C ATOM 3 C GLY A 1 -26.087 8.673 2.947 1.00 0.00 C ATOM 4 O GLY A 1 -25.323 8.414 3.873 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.811 10.516 4.970 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.173 10.074 4.891 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.732 11.421 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.165 9.017 3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.456 10.209 2.315 1.00 0.00 H new ATOM 8 N SER A 2 -25.935 8.186 1.714 1.00 0.00 N ATOM 9 CA SER A 2 -24.783 7.419 1.263 1.00 0.00 C ATOM 10 C SER A 2 -24.627 7.664 -0.240 1.00 0.00 C ATOM 11 O SER A 2 -25.543 8.184 -0.880 1.00 0.00 O ATOM 12 CB SER A 2 -25.005 5.930 1.580 1.00 0.00 C ATOM 13 OG SER A 2 -23.894 5.140 1.195 1.00 0.00 O ATOM 0 H SER A 2 -26.634 8.321 0.983 1.00 0.00 H new ATOM 0 HA SER A 2 -23.870 7.726 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.185 5.808 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.898 5.578 1.064 1.00 0.00 H new ATOM 0 HG SER A 2 -24.069 4.201 1.413 1.00 0.00 H new ATOM 19 N HIS A 3 -23.485 7.247 -0.790 1.00 0.00 N ATOM 20 CA HIS A 3 -23.201 7.189 -2.222 1.00 0.00 C ATOM 21 C HIS A 3 -22.961 5.734 -2.665 1.00 0.00 C ATOM 22 O HIS A 3 -22.522 5.517 -3.790 1.00 0.00 O ATOM 23 CB HIS A 3 -21.981 8.071 -2.545 1.00 0.00 C ATOM 24 CG HIS A 3 -22.049 9.495 -2.040 1.00 0.00 C ATOM 25 ND1 HIS A 3 -20.975 10.242 -1.607 1.00 0.00 N ATOM 26 CD2 HIS A 3 -23.167 10.284 -1.942 1.00 0.00 C ATOM 27 CE1 HIS A 3 -21.443 11.450 -1.244 1.00 0.00 C ATOM 28 NE2 HIS A 3 -22.772 11.519 -1.422 1.00 0.00 N ATOM 0 H HIS A 3 -22.700 6.927 -0.223 1.00 0.00 H new ATOM 0 HA HIS A 3 -24.062 7.568 -2.773 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -21.093 7.598 -2.126 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.849 8.094 -3.627 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -24.172 10.001 -2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -20.833 12.255 -0.861 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -23.375 12.316 -1.218 1.00 0.00 H new ATOM 36 N MET A 4 -23.243 4.766 -1.774 1.00 0.00 N ATOM 37 CA MET A 4 -22.741 3.391 -1.745 1.00 0.00 C ATOM 38 C MET A 4 -21.261 3.388 -1.340 1.00 0.00 C ATOM 39 O MET A 4 -20.511 4.326 -1.606 1.00 0.00 O ATOM 40 CB MET A 4 -23.038 2.616 -3.048 1.00 0.00 C ATOM 41 CG MET A 4 -22.599 1.146 -2.998 1.00 0.00 C ATOM 42 SD MET A 4 -23.219 0.155 -4.382 1.00 0.00 S ATOM 43 CE MET A 4 -22.150 -1.299 -4.215 1.00 0.00 C ATOM 0 H MET A 4 -23.879 4.945 -0.997 1.00 0.00 H new ATOM 0 HA MET A 4 -23.288 2.837 -0.982 1.00 0.00 H new ATOM 0 HB2 MET A 4 -24.108 2.661 -3.253 1.00 0.00 H new ATOM 0 HB3 MET A 4 -22.533 3.110 -3.878 1.00 0.00 H new ATOM 0 HG2 MET A 4 -21.510 1.101 -2.989 1.00 0.00 H new ATOM 0 HG3 MET A 4 -22.944 0.704 -2.063 1.00 0.00 H new ATOM 0 HE1 MET A 4 -22.394 -2.022 -4.994 1.00 0.00 H new ATOM 0 HE2 MET A 4 -21.107 -0.997 -4.314 1.00 0.00 H new ATOM 0 HE3 MET A 4 -22.304 -1.754 -3.237 1.00 0.00 H new ATOM 53 N ALA A 5 -20.853 2.313 -0.665 1.00 0.00 N ATOM 54 CA ALA A 5 -19.482 1.926 -0.400 1.00 0.00 C ATOM 55 C ALA A 5 -19.489 0.399 -0.294 1.00 0.00 C ATOM 56 O ALA A 5 -20.560 -0.207 -0.193 1.00 0.00 O ATOM 57 CB ALA A 5 -18.986 2.579 0.898 1.00 0.00 C ATOM 0 H ALA A 5 -21.520 1.652 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 5 -18.805 2.255 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -17.955 2.280 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.037 3.664 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.613 2.258 1.730 1.00 0.00 H new ATOM 63 N GLU A 6 -18.306 -0.211 -0.295 1.00 0.00 N ATOM 64 CA GLU A 6 -18.108 -1.653 -0.207 1.00 0.00 C ATOM 65 C GLU A 6 -16.894 -1.907 0.696 1.00 0.00 C ATOM 66 O GLU A 6 -16.086 -0.987 0.880 1.00 0.00 O ATOM 67 CB GLU A 6 -17.889 -2.227 -1.621 1.00 0.00 C ATOM 68 CG GLU A 6 -19.192 -2.223 -2.432 1.00 0.00 C ATOM 69 CD GLU A 6 -19.041 -2.958 -3.763 1.00 0.00 C ATOM 70 OE1 GLU A 6 -19.207 -4.197 -3.753 1.00 0.00 O ATOM 71 OE2 GLU A 6 -18.794 -2.263 -4.774 1.00 0.00 O ATOM 0 H GLU A 6 -17.429 0.305 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.981 -2.147 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.132 -1.639 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.507 -3.245 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.984 -2.691 -1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.499 -1.194 -2.619 1.00 0.00 H new ATOM 78 N PRO A 7 -16.731 -3.126 1.253 1.00 0.00 N ATOM 79 CA PRO A 7 -15.583 -3.490 2.077 1.00 0.00 C ATOM 80 C PRO A 7 -14.329 -3.663 1.203 1.00 0.00 C ATOM 81 O PRO A 7 -13.813 -4.769 1.029 1.00 0.00 O ATOM 82 CB PRO A 7 -16.009 -4.761 2.824 1.00 0.00 C ATOM 83 CG PRO A 7 -16.963 -5.430 1.837 1.00 0.00 C ATOM 84 CD PRO A 7 -17.676 -4.237 1.200 1.00 0.00 C ATOM 0 HA PRO A 7 -15.305 -2.720 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.156 -5.398 3.057 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -16.501 -4.529 3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -16.428 -6.025 1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -17.662 -6.099 2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.961 -4.457 0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -18.592 -3.996 1.740 1.00 0.00 H new ATOM 92 N GLN A 8 -13.837 -2.542 0.669 1.00 0.00 N ATOM 93 CA GLN A 8 -12.698 -2.445 -0.219 1.00 0.00 C ATOM 94 C GLN A 8 -11.770 -1.368 0.351 1.00 0.00 C ATOM 95 O GLN A 8 -10.743 -1.704 0.930 1.00 0.00 O ATOM 96 CB GLN A 8 -13.196 -2.192 -1.664 1.00 0.00 C ATOM 97 CG GLN A 8 -12.362 -2.921 -2.726 1.00 0.00 C ATOM 98 CD GLN A 8 -12.543 -4.437 -2.625 1.00 0.00 C ATOM 99 OE1 GLN A 8 -13.616 -4.968 -2.876 1.00 0.00 O ATOM 100 NE2 GLN A 8 -11.505 -5.150 -2.215 1.00 0.00 N ATOM 0 H GLN A 8 -14.254 -1.631 0.862 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.119 -3.366 -0.280 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.235 -2.511 -1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.175 -1.121 -1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.656 -2.582 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.309 -2.669 -2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.618 -4.689 -2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.592 -6.160 -2.104 1.00 0.00 H new ATOM 109 N ARG A 9 -12.130 -0.083 0.222 1.00 0.00 N ATOM 110 CA ARG A 9 -11.374 1.073 0.710 1.00 0.00 C ATOM 111 C ARG A 9 -11.147 0.959 2.220 1.00 0.00 C ATOM 112 O ARG A 9 -12.019 1.341 3.002 1.00 0.00 O ATOM 113 CB ARG A 9 -12.117 2.356 0.290 1.00 0.00 C ATOM 114 CG ARG A 9 -11.369 3.660 0.488 1.00 0.00 C ATOM 115 CD ARG A 9 -11.244 4.156 1.938 1.00 0.00 C ATOM 116 NE ARG A 9 -11.238 5.632 2.030 1.00 0.00 N ATOM 117 CZ ARG A 9 -12.327 6.400 2.208 1.00 0.00 C ATOM 118 NH1 ARG A 9 -13.539 5.855 2.306 1.00 0.00 N ATOM 119 NH2 ARG A 9 -12.239 7.727 2.289 1.00 0.00 N ATOM 0 H ARG A 9 -12.995 0.188 -0.246 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.380 1.109 0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.381 2.269 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.051 2.409 0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.366 3.546 0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.867 4.433 -0.097 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.072 3.761 2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.326 3.764 2.376 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.337 6.104 1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.649 4.843 2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.356 6.450 2.441 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.330 8.183 2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.081 8.287 2.424 1.00 0.00 H new ATOM 133 N HIS A 10 -9.980 0.459 2.634 1.00 0.00 N ATOM 134 CA HIS A 10 -9.662 0.179 4.030 1.00 0.00 C ATOM 135 C HIS A 10 -8.407 0.938 4.440 1.00 0.00 C ATOM 136 O HIS A 10 -7.598 1.323 3.600 1.00 0.00 O ATOM 137 CB HIS A 10 -9.504 -1.331 4.238 1.00 0.00 C ATOM 138 CG HIS A 10 -10.775 -2.133 4.072 1.00 0.00 C ATOM 139 ND1 HIS A 10 -10.850 -3.440 3.663 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.061 -1.689 4.213 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.143 -3.769 3.555 1.00 0.00 C ATOM 142 NE2 HIS A 10 -12.926 -2.740 3.906 1.00 0.00 N ATOM 0 H HIS A 10 -9.218 0.235 1.994 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.479 0.519 4.666 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.761 -1.704 3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.109 -1.506 5.239 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.058 -4.054 3.474 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.357 -0.694 4.511 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.506 -4.733 3.229 1.00 0.00 H new ATOM 150 N LYS A 11 -8.267 1.179 5.746 1.00 0.00 N ATOM 151 CA LYS A 11 -7.356 2.167 6.309 1.00 0.00 C ATOM 152 C LYS A 11 -6.557 1.511 7.428 1.00 0.00 C ATOM 153 O LYS A 11 -6.987 1.521 8.581 1.00 0.00 O ATOM 154 CB LYS A 11 -8.156 3.384 6.805 1.00 0.00 C ATOM 155 CG LYS A 11 -8.762 4.235 5.671 1.00 0.00 C ATOM 156 CD LYS A 11 -10.299 4.223 5.634 1.00 0.00 C ATOM 157 CE LYS A 11 -10.966 4.828 6.880 1.00 0.00 C ATOM 158 NZ LYS A 11 -10.683 6.272 7.045 1.00 0.00 N ATOM 0 H LYS A 11 -8.800 0.677 6.456 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.657 2.525 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.959 3.038 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.504 4.014 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.419 5.264 5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.383 3.872 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.634 4.772 4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.640 3.194 5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.044 4.680 6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.622 4.293 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.407 6.700 7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.746 6.395 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.696 6.737 6.115 1.00 0.00 H new ATOM 172 N ILE A 12 -5.416 0.908 7.090 1.00 0.00 N ATOM 173 CA ILE A 12 -4.533 0.312 8.087 1.00 0.00 C ATOM 174 C ILE A 12 -3.666 1.446 8.634 1.00 0.00 C ATOM 175 O ILE A 12 -2.711 1.867 7.994 1.00 0.00 O ATOM 176 CB ILE A 12 -3.676 -0.840 7.513 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.492 -1.882 6.722 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.899 -1.482 8.681 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.588 -2.892 6.003 1.00 0.00 C ATOM 0 H ILE A 12 -5.083 0.821 6.130 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.121 -0.150 8.880 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.984 -0.426 6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.160 -2.412 7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.120 -1.372 5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.285 -2.300 8.304 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.259 -0.733 9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.603 -1.868 9.418 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.204 -3.608 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.939 -2.366 5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.979 -3.421 6.736 1.00 0.00 H new ATOM 191 N LEU A 13 -3.993 1.987 9.802 1.00 0.00 N ATOM 192 CA LEU A 13 -3.161 2.979 10.448 1.00 0.00 C ATOM 193 C LEU A 13 -1.867 2.317 10.899 1.00 0.00 C ATOM 194 O LEU A 13 -1.869 1.439 11.760 1.00 0.00 O ATOM 195 CB LEU A 13 -3.909 3.679 11.582 1.00 0.00 C ATOM 196 CG LEU A 13 -3.167 4.964 12.008 1.00 0.00 C ATOM 197 CD1 LEU A 13 -4.205 5.995 12.444 1.00 0.00 C ATOM 198 CD2 LEU A 13 -2.156 4.744 13.142 1.00 0.00 C ATOM 0 H LEU A 13 -4.838 1.748 10.320 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.906 3.769 9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.921 3.926 11.260 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.001 3.006 12.434 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.591 5.309 11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.701 6.912 12.749 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.876 6.210 11.612 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.780 5.601 13.282 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.674 5.690 13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.673 4.361 14.022 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.402 4.024 12.823 1.00 0.00 H new ATOM 210 N CYS A 14 -0.772 2.755 10.290 1.00 0.00 N ATOM 211 CA CYS A 14 0.585 2.357 10.596 1.00 0.00 C ATOM 212 C CYS A 14 1.446 3.622 10.739 1.00 0.00 C ATOM 213 O CYS A 14 0.927 4.742 10.809 1.00 0.00 O ATOM 214 CB CYS A 14 1.077 1.430 9.474 1.00 0.00 C ATOM 215 SG CYS A 14 2.371 0.319 10.094 1.00 0.00 S ATOM 0 H CYS A 14 -0.816 3.433 9.530 1.00 0.00 H new ATOM 0 HA CYS A 14 0.649 1.809 11.536 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.243 0.846 9.084 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.465 2.024 8.646 1.00 0.00 H new ATOM 0 HG CYS A 14 2.638 -0.581 9.194 1.00 0.00 H new ATOM 221 N VAL A 15 2.769 3.453 10.747 1.00 0.00 N ATOM 222 CA VAL A 15 3.714 4.551 10.602 1.00 0.00 C ATOM 223 C VAL A 15 4.595 4.295 9.384 1.00 0.00 C ATOM 224 O VAL A 15 4.797 3.152 8.970 1.00 0.00 O ATOM 225 CB VAL A 15 4.538 4.786 11.886 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.642 5.297 13.023 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.306 3.538 12.348 1.00 0.00 C ATOM 0 H VAL A 15 3.214 2.542 10.855 1.00 0.00 H new ATOM 0 HA VAL A 15 3.159 5.475 10.443 1.00 0.00 H new ATOM 0 HB VAL A 15 5.279 5.544 11.634 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.244 5.455 13.918 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.179 6.238 12.726 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.866 4.561 13.234 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.865 3.770 13.255 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.601 2.732 12.552 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.998 3.226 11.565 1.00 0.00 H new ATOM 237 N CYS A 16 5.122 5.377 8.815 1.00 0.00 N ATOM 238 CA CYS A 16 6.124 5.324 7.775 1.00 0.00 C ATOM 239 C CYS A 16 7.432 4.831 8.380 1.00 0.00 C ATOM 240 O CYS A 16 7.934 5.454 9.318 1.00 0.00 O ATOM 241 CB CYS A 16 6.328 6.716 7.175 1.00 0.00 C ATOM 242 SG CYS A 16 7.313 6.454 5.685 1.00 0.00 S ATOM 0 H CYS A 16 4.854 6.327 9.074 1.00 0.00 H new ATOM 0 HA CYS A 16 5.799 4.646 6.986 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.373 7.186 6.938 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.842 7.375 7.875 1.00 0.00 H new ATOM 0 HG CYS A 16 7.601 7.602 5.148 1.00 0.00 H new ATOM 247 N CYS A 17 8.018 3.785 7.787 1.00 0.00 N ATOM 248 CA CYS A 17 9.261 3.158 8.244 1.00 0.00 C ATOM 249 C CYS A 17 10.400 4.165 8.452 1.00 0.00 C ATOM 250 O CYS A 17 11.267 3.981 9.301 1.00 0.00 O ATOM 251 CB CYS A 17 9.675 2.140 7.177 1.00 0.00 C ATOM 252 SG CYS A 17 10.897 0.972 7.823 1.00 0.00 S ATOM 0 H CYS A 17 7.630 3.341 6.955 1.00 0.00 H new ATOM 0 HA CYS A 17 9.079 2.692 9.213 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.797 1.596 6.830 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.088 2.662 6.314 1.00 0.00 H new ATOM 0 HG CYS A 17 11.639 1.566 8.710 1.00 0.00 H new ATOM 258 N LYS A 18 10.394 5.230 7.647 1.00 0.00 N ATOM 259 CA LYS A 18 11.534 6.104 7.405 1.00 0.00 C ATOM 260 C LYS A 18 11.248 7.582 7.659 1.00 0.00 C ATOM 261 O LYS A 18 12.165 8.396 7.537 1.00 0.00 O ATOM 262 CB LYS A 18 12.023 5.867 5.977 1.00 0.00 C ATOM 263 CG LYS A 18 10.905 5.943 4.931 1.00 0.00 C ATOM 264 CD LYS A 18 11.453 5.875 3.509 1.00 0.00 C ATOM 265 CE LYS A 18 12.108 4.540 3.157 1.00 0.00 C ATOM 266 NZ LYS A 18 13.574 4.607 3.251 1.00 0.00 N ATOM 0 H LYS A 18 9.563 5.514 7.129 1.00 0.00 H new ATOM 0 HA LYS A 18 12.311 5.849 8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.788 6.605 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.497 4.887 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.203 5.124 5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.348 6.871 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.640 6.065 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.183 6.673 3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.736 3.765 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.822 4.251 2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.973 3.653 3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.942 5.227 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.845 4.988 4.180 1.00 0.00 H new ATOM 280 N CYS A 19 10.005 7.924 8.011 1.00 0.00 N ATOM 281 CA CYS A 19 9.638 9.208 8.573 1.00 0.00 C ATOM 282 C CYS A 19 9.277 9.104 10.059 1.00 0.00 C ATOM 283 O CYS A 19 9.221 10.138 10.717 1.00 0.00 O ATOM 284 CB CYS A 19 8.465 9.787 7.815 1.00 0.00 C ATOM 285 SG CYS A 19 8.426 9.613 6.014 1.00 0.00 S ATOM 0 H CYS A 19 9.212 7.292 7.906 1.00 0.00 H new ATOM 0 HA CYS A 19 10.506 9.862 8.481 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.558 9.331 8.211 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.414 10.851 8.046 1.00 0.00 H new ATOM 290 N ASP A 20 8.984 7.889 10.553 1.00 0.00 N ATOM 291 CA ASP A 20 8.244 7.614 11.788 1.00 0.00 C ATOM 292 C ASP A 20 7.082 8.597 11.977 1.00 0.00 C ATOM 293 O ASP A 20 6.996 9.342 12.952 1.00 0.00 O ATOM 294 CB ASP A 20 9.172 7.490 13.005 1.00 0.00 C ATOM 295 CG ASP A 20 8.427 6.937 14.229 1.00 0.00 C ATOM 296 OD1 ASP A 20 7.440 6.190 14.026 1.00 0.00 O ATOM 297 OD2 ASP A 20 8.888 7.226 15.356 1.00 0.00 O ATOM 0 H ASP A 20 9.272 7.034 10.077 1.00 0.00 H new ATOM 0 HA ASP A 20 7.782 6.631 11.692 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.008 6.835 12.761 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.592 8.467 13.244 1.00 0.00 H new ATOM 302 N GLY A 21 6.189 8.616 10.981 1.00 0.00 N ATOM 303 CA GLY A 21 5.004 9.453 10.949 1.00 0.00 C ATOM 304 C GLY A 21 3.794 8.609 10.585 1.00 0.00 C ATOM 305 O GLY A 21 3.915 7.633 9.849 1.00 0.00 O ATOM 0 H GLY A 21 6.282 8.027 10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.853 9.924 11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.132 10.255 10.222 1.00 0.00 H new ATOM 309 N ARG A 22 2.630 9.009 11.095 1.00 0.00 N ATOM 310 CA ARG A 22 1.349 8.320 11.006 1.00 0.00 C ATOM 311 C ARG A 22 0.939 8.202 9.543 1.00 0.00 C ATOM 312 O ARG A 22 0.664 9.229 8.922 1.00 0.00 O ATOM 313 CB ARG A 22 0.348 9.131 11.854 1.00 0.00 C ATOM 314 CG ARG A 22 -1.109 8.640 11.877 1.00 0.00 C ATOM 315 CD ARG A 22 -2.018 9.336 10.846 1.00 0.00 C ATOM 316 NE ARG A 22 -3.435 9.188 11.221 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.496 9.254 10.405 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.407 9.694 9.154 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.688 8.836 10.815 1.00 0.00 N ATOM 0 H ARG A 22 2.555 9.883 11.616 1.00 0.00 H new ATOM 0 HA ARG A 22 1.392 7.302 11.392 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.714 9.153 12.881 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.353 10.159 11.492 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.123 7.566 11.693 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.520 8.798 12.874 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.762 10.393 10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.851 8.907 9.858 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.629 9.017 12.208 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.507 9.997 8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.239 9.728 8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.801 8.461 11.757 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.491 8.890 10.188 1.00 0.00 H new ATOM 333 N ILE A 23 0.850 6.976 9.010 1.00 0.00 N ATOM 334 CA ILE A 23 0.211 6.743 7.723 1.00 0.00 C ATOM 335 C ILE A 23 -1.062 5.944 7.977 1.00 0.00 C ATOM 336 O ILE A 23 -1.014 4.805 8.434 1.00 0.00 O ATOM 337 CB ILE A 23 1.081 6.021 6.665 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.520 6.544 6.489 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.310 6.200 5.335 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.369 5.570 5.649 1.00 0.00 C ATOM 0 H ILE A 23 1.215 6.135 9.456 1.00 0.00 H new ATOM 0 HA ILE A 23 0.015 7.724 7.289 1.00 0.00 H new ATOM 0 HB ILE A 23 1.222 4.990 6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.498 7.521 6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.981 6.682 7.467 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.860 5.716 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.678 5.748 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.205 7.262 5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.379 5.966 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.410 4.601 6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.919 5.453 4.663 1.00 0.00 H new ATOM 352 N GLU A 24 -2.205 6.524 7.631 1.00 0.00 N ATOM 353 CA GLU A 24 -3.453 5.802 7.462 1.00 0.00 C ATOM 354 C GLU A 24 -3.404 5.099 6.101 1.00 0.00 C ATOM 355 O GLU A 24 -3.794 5.677 5.081 1.00 0.00 O ATOM 356 CB GLU A 24 -4.569 6.828 7.640 1.00 0.00 C ATOM 357 CG GLU A 24 -5.987 6.273 7.570 1.00 0.00 C ATOM 358 CD GLU A 24 -7.053 7.328 7.910 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.694 8.435 8.391 1.00 0.00 O ATOM 360 OE2 GLU A 24 -8.247 6.999 7.730 1.00 0.00 O ATOM 0 H GLU A 24 -2.288 7.526 7.458 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.632 5.011 8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.437 7.319 8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.459 7.595 6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.172 5.885 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.079 5.434 8.259 1.00 0.00 H new ATOM 367 N LEU A 25 -2.832 3.883 6.081 1.00 0.00 N ATOM 368 CA LEU A 25 -2.515 3.143 4.863 1.00 0.00 C ATOM 369 C LEU A 25 -3.821 2.804 4.165 1.00 0.00 C ATOM 370 O LEU A 25 -4.496 1.838 4.535 1.00 0.00 O ATOM 371 CB LEU A 25 -1.740 1.837 5.117 1.00 0.00 C ATOM 372 CG LEU A 25 -0.432 1.927 5.916 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.085 0.515 6.221 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.614 2.660 5.088 1.00 0.00 C ATOM 0 H LEU A 25 -2.575 3.383 6.932 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.870 3.778 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.405 1.149 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.512 1.389 4.150 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.617 2.462 6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.013 0.582 6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.659 -0.026 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.268 -0.015 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.544 2.726 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.790 2.116 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.258 3.664 4.858 1.00 0.00 H new ATOM 386 N THR A 26 -4.195 3.629 3.191 1.00 0.00 N ATOM 387 CA THR A 26 -5.446 3.446 2.499 1.00 0.00 C ATOM 388 C THR A 26 -5.200 2.501 1.329 1.00 0.00 C ATOM 389 O THR A 26 -4.733 2.912 0.268 1.00 0.00 O ATOM 390 CB THR A 26 -6.103 4.778 2.141 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.158 5.608 3.293 1.00 0.00 O ATOM 392 CG2 THR A 26 -7.539 4.475 1.694 1.00 0.00 C ATOM 0 H THR A 26 -3.644 4.426 2.871 1.00 0.00 H new ATOM 0 HA THR A 26 -6.188 2.977 3.145 1.00 0.00 H new ATOM 0 HB THR A 26 -5.537 5.282 1.358 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.269 5.659 3.702 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.042 5.405 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.519 3.814 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.079 3.990 2.507 1.00 0.00 H new ATOM 400 N VAL A 27 -5.475 1.217 1.551 1.00 0.00 N ATOM 401 CA VAL A 27 -5.355 0.169 0.541 1.00 0.00 C ATOM 402 C VAL A 27 -6.789 -0.304 0.288 1.00 0.00 C ATOM 403 O VAL A 27 -7.624 -0.305 1.197 1.00 0.00 O ATOM 404 CB VAL A 27 -4.355 -0.936 1.015 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.055 -0.323 1.563 1.00 0.00 C ATOM 406 CG2 VAL A 27 -4.959 -1.764 2.164 1.00 0.00 C ATOM 0 H VAL A 27 -5.794 0.870 2.456 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.924 0.507 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.151 -1.556 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.384 -1.120 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.573 0.266 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.286 0.320 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.246 -2.526 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.183 -1.109 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.877 -2.244 1.823 1.00 0.00 H new ATOM 416 N GLU A 28 -7.124 -0.640 -0.954 1.00 0.00 N ATOM 417 CA GLU A 28 -8.506 -0.874 -1.336 1.00 0.00 C ATOM 418 C GLU A 28 -8.563 -2.392 -1.518 1.00 0.00 C ATOM 419 O GLU A 28 -8.167 -2.948 -2.539 1.00 0.00 O ATOM 420 CB GLU A 28 -8.824 0.046 -2.525 1.00 0.00 C ATOM 421 CG GLU A 28 -10.298 0.451 -2.619 1.00 0.00 C ATOM 422 CD GLU A 28 -10.780 0.605 -4.060 1.00 0.00 C ATOM 423 OE1 GLU A 28 -10.555 -0.343 -4.851 1.00 0.00 O ATOM 424 OE2 GLU A 28 -11.366 1.665 -4.363 1.00 0.00 O ATOM 0 H GLU A 28 -6.452 -0.756 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.296 -0.614 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.214 0.946 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.536 -0.457 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.909 -0.298 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.446 1.392 -2.089 1.00 0.00 H new ATOM 431 N SER A 29 -8.856 -3.109 -0.430 1.00 0.00 N ATOM 432 CA SER A 29 -8.511 -4.505 -0.311 1.00 0.00 C ATOM 433 C SER A 29 -9.489 -5.239 0.591 1.00 0.00 C ATOM 434 O SER A 29 -9.709 -4.818 1.721 1.00 0.00 O ATOM 435 CB SER A 29 -7.144 -4.531 0.349 1.00 0.00 C ATOM 436 OG SER A 29 -6.173 -3.771 -0.350 1.00 0.00 O ATOM 0 H SER A 29 -9.338 -2.728 0.384 1.00 0.00 H new ATOM 0 HA SER A 29 -8.529 -4.988 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.231 -4.150 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.803 -5.564 0.424 1.00 0.00 H new ATOM 0 HG SER A 29 -5.315 -3.823 0.121 1.00 0.00 H new ATOM 442 N SER A 30 -10.038 -6.349 0.108 1.00 0.00 N ATOM 443 CA SER A 30 -11.086 -7.105 0.789 1.00 0.00 C ATOM 444 C SER A 30 -10.550 -7.579 2.128 1.00 0.00 C ATOM 445 O SER A 30 -9.399 -7.992 2.173 1.00 0.00 O ATOM 446 CB SER A 30 -11.473 -8.322 -0.049 1.00 0.00 C ATOM 447 OG SER A 30 -11.690 -7.933 -1.398 1.00 0.00 O ATOM 0 H SER A 30 -9.762 -6.757 -0.785 1.00 0.00 H new ATOM 0 HA SER A 30 -11.961 -6.471 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.684 -9.073 -0.001 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.375 -8.781 0.356 1.00 0.00 H new ATOM 0 HG SER A 30 -11.936 -8.719 -1.929 1.00 0.00 H new ATOM 453 N ALA A 31 -11.344 -7.556 3.203 1.00 0.00 N ATOM 454 CA ALA A 31 -10.811 -7.624 4.564 1.00 0.00 C ATOM 455 C ALA A 31 -9.806 -8.754 4.814 1.00 0.00 C ATOM 456 O ALA A 31 -8.820 -8.535 5.520 1.00 0.00 O ATOM 457 CB ALA A 31 -11.964 -7.727 5.566 1.00 0.00 C ATOM 0 H ALA A 31 -12.361 -7.491 3.155 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.249 -6.700 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.563 -7.777 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.606 -6.851 5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.545 -8.626 5.361 1.00 0.00 H new ATOM 463 N GLU A 32 -10.010 -9.940 4.223 1.00 0.00 N ATOM 464 CA GLU A 32 -9.156 -11.084 4.502 1.00 0.00 C ATOM 465 C GLU A 32 -8.052 -11.295 3.461 1.00 0.00 C ATOM 466 O GLU A 32 -7.013 -11.913 3.711 1.00 0.00 O ATOM 467 CB GLU A 32 -9.989 -12.336 4.785 1.00 0.00 C ATOM 468 CG GLU A 32 -9.337 -13.026 5.991 1.00 0.00 C ATOM 469 CD GLU A 32 -10.048 -14.256 6.543 1.00 0.00 C ATOM 470 OE1 GLU A 32 -10.989 -14.765 5.898 1.00 0.00 O ATOM 471 OE2 GLU A 32 -9.614 -14.655 7.650 1.00 0.00 O ATOM 0 H GLU A 32 -10.757 -10.123 3.553 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.608 -10.858 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.025 -12.073 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.002 -12.998 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.324 -13.316 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.249 -12.295 6.795 1.00 0.00 H new ATOM 478 N ASP A 33 -8.230 -10.667 2.308 1.00 0.00 N ATOM 479 CA ASP A 33 -7.196 -10.445 1.330 1.00 0.00 C ATOM 480 C ASP A 33 -6.218 -9.393 1.886 1.00 0.00 C ATOM 481 O ASP A 33 -5.000 -9.553 1.841 1.00 0.00 O ATOM 482 CB ASP A 33 -7.913 -10.019 0.045 1.00 0.00 C ATOM 483 CG ASP A 33 -7.145 -10.401 -1.206 1.00 0.00 C ATOM 484 OD1 ASP A 33 -5.907 -10.262 -1.194 1.00 0.00 O ATOM 485 OD2 ASP A 33 -7.823 -10.786 -2.186 1.00 0.00 O ATOM 0 H ASP A 33 -9.134 -10.288 2.026 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.594 -11.327 1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.901 -10.479 0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.064 -8.940 0.059 1.00 0.00 H new ATOM 490 N LEU A 34 -6.758 -8.371 2.565 1.00 0.00 N ATOM 491 CA LEU A 34 -6.018 -7.362 3.308 1.00 0.00 C ATOM 492 C LEU A 34 -5.268 -7.994 4.474 1.00 0.00 C ATOM 493 O LEU A 34 -4.125 -7.655 4.731 1.00 0.00 O ATOM 494 CB LEU A 34 -6.985 -6.256 3.767 1.00 0.00 C ATOM 495 CG LEU A 34 -6.410 -5.253 4.791 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.077 -3.888 4.577 1.00 0.00 C ATOM 497 CD2 LEU A 34 -6.669 -5.659 6.252 1.00 0.00 C ATOM 0 H LEU A 34 -7.767 -8.226 2.608 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.266 -6.907 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.318 -5.702 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.867 -6.726 4.201 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.333 -5.227 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.678 -3.172 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.874 -3.538 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.154 -3.983 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.239 -4.912 6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.743 -5.726 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.209 -6.627 6.448 1.00 0.00 H new ATOM 509 N ARG A 35 -5.913 -8.915 5.178 1.00 0.00 N ATOM 510 CA ARG A 35 -5.340 -9.754 6.237 1.00 0.00 C ATOM 511 C ARG A 35 -4.182 -10.561 5.676 1.00 0.00 C ATOM 512 O ARG A 35 -3.134 -10.626 6.304 1.00 0.00 O ATOM 513 CB ARG A 35 -6.389 -10.701 6.839 1.00 0.00 C ATOM 514 CG ARG A 35 -5.944 -11.432 8.115 1.00 0.00 C ATOM 515 CD ARG A 35 -7.016 -12.428 8.593 1.00 0.00 C ATOM 516 NE ARG A 35 -6.613 -13.089 9.845 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.179 -14.168 10.411 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.212 -14.814 9.868 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.691 -14.621 11.567 1.00 0.00 N ATOM 0 H ARG A 35 -6.902 -9.112 5.022 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.986 -9.098 7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.289 -10.128 7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.660 -11.443 6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.011 -11.962 7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.744 -10.705 8.902 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.960 -11.905 8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.187 -13.179 7.822 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.817 -12.683 10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.607 -14.493 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.607 -15.629 10.337 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.901 -14.149 12.007 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.108 -15.439 12.011 1.00 0.00 H new ATOM 533 N THR A 36 -4.358 -11.163 4.506 1.00 0.00 N ATOM 534 CA THR A 36 -3.289 -11.871 3.802 1.00 0.00 C ATOM 535 C THR A 36 -2.112 -10.904 3.553 1.00 0.00 C ATOM 536 O THR A 36 -0.977 -11.172 3.958 1.00 0.00 O ATOM 537 CB THR A 36 -3.856 -12.538 2.534 1.00 0.00 C ATOM 538 OG1 THR A 36 -4.971 -13.348 2.876 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.813 -13.438 1.864 1.00 0.00 C ATOM 0 H THR A 36 -5.251 -11.175 4.014 1.00 0.00 H new ATOM 0 HA THR A 36 -2.886 -12.684 4.405 1.00 0.00 H new ATOM 0 HB THR A 36 -4.145 -11.743 1.847 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.785 -12.802 2.872 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.244 -13.894 0.973 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.945 -12.842 1.583 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.507 -14.220 2.559 1.00 0.00 H new ATOM 547 N LEU A 37 -2.398 -9.721 2.999 1.00 0.00 N ATOM 548 CA LEU A 37 -1.447 -8.615 2.881 1.00 0.00 C ATOM 549 C LEU A 37 -0.837 -8.234 4.250 1.00 0.00 C ATOM 550 O LEU A 37 0.354 -7.949 4.336 1.00 0.00 O ATOM 551 CB LEU A 37 -2.126 -7.459 2.101 1.00 0.00 C ATOM 552 CG LEU A 37 -2.067 -6.048 2.721 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.693 -5.387 2.491 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.121 -5.135 2.082 1.00 0.00 C ATOM 0 H LEU A 37 -3.317 -9.503 2.613 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.575 -8.912 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.673 -7.410 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.175 -7.720 1.959 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.250 -6.168 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.687 -4.394 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.086 -5.997 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.505 -5.301 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.065 -4.144 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.935 -5.058 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.114 -5.553 2.249 1.00 0.00 H new ATOM 566 N GLN A 38 -1.598 -8.283 5.345 1.00 0.00 N ATOM 567 CA GLN A 38 -1.109 -7.998 6.683 1.00 0.00 C ATOM 568 C GLN A 38 -0.137 -9.092 7.144 1.00 0.00 C ATOM 569 O GLN A 38 0.805 -8.802 7.880 1.00 0.00 O ATOM 570 CB GLN A 38 -2.298 -7.829 7.630 1.00 0.00 C ATOM 571 CG GLN A 38 -1.923 -7.383 9.043 1.00 0.00 C ATOM 572 CD GLN A 38 -3.205 -7.185 9.842 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.557 -7.998 10.688 1.00 0.00 O ATOM 574 NE2 GLN A 38 -3.967 -6.143 9.532 1.00 0.00 N ATOM 0 H GLN A 38 -2.588 -8.527 5.320 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.547 -7.064 6.685 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.986 -7.100 7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.835 -8.776 7.692 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.290 -8.131 9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.351 -6.456 9.009 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.657 -5.477 8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.863 -6.009 10.001 1.00 0.00 H new ATOM 583 N GLN A 39 -0.304 -10.337 6.679 1.00 0.00 N ATOM 584 CA GLN A 39 0.680 -11.375 6.924 1.00 0.00 C ATOM 585 C GLN A 39 1.952 -11.079 6.121 1.00 0.00 C ATOM 586 O GLN A 39 3.048 -11.299 6.628 1.00 0.00 O ATOM 587 CB GLN A 39 0.154 -12.785 6.638 1.00 0.00 C ATOM 588 CG GLN A 39 -1.231 -13.103 7.220 1.00 0.00 C ATOM 589 CD GLN A 39 -1.497 -12.574 8.633 1.00 0.00 C ATOM 590 OE1 GLN A 39 -0.968 -13.079 9.614 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.349 -11.562 8.755 1.00 0.00 N ATOM 0 H GLN A 39 -1.111 -10.640 6.134 1.00 0.00 H new ATOM 0 HA GLN A 39 0.912 -11.360 7.989 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.117 -12.928 5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.869 -13.508 7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.988 -12.694 6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.362 -14.185 7.227 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.779 -11.155 7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.573 -11.192 9.679 1.00 0.00 H new ATOM 600 N LEU A 40 1.831 -10.519 4.907 1.00 0.00 N ATOM 601 CA LEU A 40 2.992 -10.003 4.167 1.00 0.00 C ATOM 602 C LEU A 40 3.663 -8.809 4.895 1.00 0.00 C ATOM 603 O LEU A 40 4.880 -8.626 4.815 1.00 0.00 O ATOM 604 CB LEU A 40 2.623 -9.674 2.708 1.00 0.00 C ATOM 605 CG LEU A 40 2.033 -10.867 1.921 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.560 -10.412 0.539 1.00 0.00 C ATOM 607 CD2 LEU A 40 3.031 -12.016 1.733 1.00 0.00 C ATOM 0 H LEU A 40 0.942 -10.412 4.418 1.00 0.00 H new ATOM 0 HA LEU A 40 3.740 -10.796 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.902 -8.857 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.514 -9.317 2.191 1.00 0.00 H new ATOM 0 HG LEU A 40 1.199 -11.236 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.147 -11.263 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.792 -9.646 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.403 -10.002 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.556 -12.822 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.901 -11.656 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.346 -12.388 2.708 1.00 0.00 H new ATOM 619 N PHE A 41 2.898 -8.042 5.685 1.00 0.00 N ATOM 620 CA PHE A 41 3.406 -7.016 6.604 1.00 0.00 C ATOM 621 C PHE A 41 4.241 -7.659 7.711 1.00 0.00 C ATOM 622 O PHE A 41 5.356 -7.225 7.989 1.00 0.00 O ATOM 623 CB PHE A 41 2.240 -6.176 7.161 1.00 0.00 C ATOM 624 CG PHE A 41 2.501 -4.686 7.264 1.00 0.00 C ATOM 625 CD1 PHE A 41 3.237 -4.159 8.342 1.00 0.00 C ATOM 626 CD2 PHE A 41 1.996 -3.820 6.274 1.00 0.00 C ATOM 627 CE1 PHE A 41 3.485 -2.775 8.415 1.00 0.00 C ATOM 628 CE2 PHE A 41 2.249 -2.439 6.345 1.00 0.00 C ATOM 629 CZ PHE A 41 2.998 -1.917 7.413 1.00 0.00 C ATOM 0 H PHE A 41 1.881 -8.121 5.702 1.00 0.00 H new ATOM 0 HA PHE A 41 4.063 -6.337 6.061 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.367 -6.331 6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.985 -6.552 8.152 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.611 -4.816 9.113 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.412 -4.219 5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.050 -2.372 9.242 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.868 -1.780 5.579 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.200 -0.857 7.464 1.00 0.00 H new ATOM 639 N LEU A 42 3.707 -8.720 8.324 1.00 0.00 N ATOM 640 CA LEU A 42 4.393 -9.497 9.353 1.00 0.00 C ATOM 641 C LEU A 42 5.598 -10.278 8.807 1.00 0.00 C ATOM 642 O LEU A 42 6.518 -10.566 9.569 1.00 0.00 O ATOM 643 CB LEU A 42 3.381 -10.449 10.010 1.00 0.00 C ATOM 644 CG LEU A 42 2.357 -9.741 10.920 1.00 0.00 C ATOM 645 CD1 LEU A 42 1.255 -10.728 11.323 1.00 0.00 C ATOM 646 CD2 LEU A 42 3.008 -9.170 12.188 1.00 0.00 C ATOM 0 H LEU A 42 2.771 -9.066 8.114 1.00 0.00 H new ATOM 0 HA LEU A 42 4.794 -8.802 10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.846 -10.990 9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.923 -11.190 10.597 1.00 0.00 H new ATOM 0 HG LEU A 42 1.937 -8.910 10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.533 -10.225 11.966 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.751 -11.095 10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.697 -11.567 11.861 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.249 -8.681 12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.466 -9.979 12.758 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.772 -8.445 11.909 1.00 0.00 H new ATOM 658 N SER A 43 5.594 -10.612 7.513 1.00 0.00 N ATOM 659 CA SER A 43 6.701 -11.177 6.754 1.00 0.00 C ATOM 660 C SER A 43 7.831 -10.145 6.665 1.00 0.00 C ATOM 661 O SER A 43 8.765 -10.226 7.461 1.00 0.00 O ATOM 662 CB SER A 43 6.143 -11.642 5.403 1.00 0.00 C ATOM 663 OG SER A 43 7.081 -11.851 4.375 1.00 0.00 O ATOM 0 H SER A 43 4.762 -10.485 6.936 1.00 0.00 H new ATOM 0 HA SER A 43 7.146 -12.049 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.597 -12.572 5.561 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.420 -10.902 5.060 1.00 0.00 H new ATOM 0 HG SER A 43 7.053 -11.098 3.748 1.00 0.00 H new ATOM 669 N THR A 44 7.762 -9.180 5.731 1.00 0.00 N ATOM 670 CA THR A 44 8.770 -8.129 5.592 1.00 0.00 C ATOM 671 C THR A 44 8.249 -6.728 5.304 1.00 0.00 C ATOM 672 O THR A 44 9.018 -5.776 5.412 1.00 0.00 O ATOM 673 CB THR A 44 9.897 -8.493 4.595 1.00 0.00 C ATOM 674 OG1 THR A 44 9.528 -8.705 3.235 1.00 0.00 O ATOM 675 CG2 THR A 44 10.590 -9.771 5.040 1.00 0.00 C ATOM 0 H THR A 44 7.003 -9.112 5.053 1.00 0.00 H new ATOM 0 HA THR A 44 9.184 -8.084 6.599 1.00 0.00 H new ATOM 0 HB THR A 44 10.524 -7.602 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.931 -7.985 2.942 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.382 -10.021 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.020 -9.625 6.031 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.865 -10.585 5.075 1.00 0.00 H new ATOM 683 N LEU A 45 6.987 -6.603 4.904 1.00 0.00 N ATOM 684 CA LEU A 45 6.480 -5.362 4.321 1.00 0.00 C ATOM 685 C LEU A 45 6.327 -4.243 5.347 1.00 0.00 C ATOM 686 O LEU A 45 5.373 -4.240 6.119 1.00 0.00 O ATOM 687 CB LEU A 45 5.194 -5.619 3.517 1.00 0.00 C ATOM 688 CG LEU A 45 4.779 -4.444 2.611 1.00 0.00 C ATOM 689 CD1 LEU A 45 4.123 -5.027 1.361 1.00 0.00 C ATOM 690 CD2 LEU A 45 3.765 -3.491 3.256 1.00 0.00 C ATOM 0 H LEU A 45 6.294 -7.348 4.973 1.00 0.00 H new ATOM 0 HA LEU A 45 7.233 -5.001 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.333 -6.508 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.381 -5.835 4.210 1.00 0.00 H new ATOM 0 HG LEU A 45 5.681 -3.869 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.818 -4.217 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.834 -5.670 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.248 -5.610 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.522 -2.691 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.858 -4.041 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.193 -3.064 4.163 1.00 0.00 H new ATOM 702 N SER A 46 7.231 -3.264 5.322 1.00 0.00 N ATOM 703 CA SER A 46 7.018 -1.948 5.883 1.00 0.00 C ATOM 704 C SER A 46 6.422 -1.061 4.776 1.00 0.00 C ATOM 705 O SER A 46 6.301 -1.463 3.612 1.00 0.00 O ATOM 706 CB SER A 46 8.336 -1.418 6.479 1.00 0.00 C ATOM 707 OG SER A 46 9.488 -1.791 5.748 1.00 0.00 O ATOM 0 H SER A 46 8.152 -3.376 4.898 1.00 0.00 H new ATOM 0 HA SER A 46 6.310 -1.960 6.712 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.288 -0.330 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.433 -1.783 7.502 1.00 0.00 H new ATOM 0 HG SER A 46 10.080 -1.016 5.653 1.00 0.00 H new ATOM 713 N PHE A 47 6.021 0.161 5.135 1.00 0.00 N ATOM 714 CA PHE A 47 5.380 1.093 4.220 1.00 0.00 C ATOM 715 C PHE A 47 6.095 2.436 4.213 1.00 0.00 C ATOM 716 O PHE A 47 6.693 2.866 5.206 1.00 0.00 O ATOM 717 CB PHE A 47 3.883 1.264 4.516 1.00 0.00 C ATOM 718 CG PHE A 47 3.087 1.461 3.238 1.00 0.00 C ATOM 719 CD1 PHE A 47 2.978 2.734 2.643 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.478 0.353 2.619 1.00 0.00 C ATOM 721 CE1 PHE A 47 2.314 2.888 1.415 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.785 0.512 1.407 1.00 0.00 C ATOM 723 CZ PHE A 47 1.725 1.775 0.792 1.00 0.00 C ATOM 0 H PHE A 47 6.136 0.529 6.079 1.00 0.00 H new ATOM 0 HA PHE A 47 5.459 0.661 3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.512 0.387 5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.736 2.120 5.174 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.407 3.595 3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.544 -0.623 3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.256 3.861 0.950 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.298 -0.336 0.948 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.226 1.890 -0.159 1.00 0.00 H new ATOM 733 N VAL A 48 6.009 3.065 3.041 1.00 0.00 N ATOM 734 CA VAL A 48 6.814 4.154 2.555 1.00 0.00 C ATOM 735 C VAL A 48 5.896 5.084 1.738 1.00 0.00 C ATOM 736 O VAL A 48 5.653 4.871 0.554 1.00 0.00 O ATOM 737 CB VAL A 48 8.027 3.517 1.829 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.836 4.419 0.905 1.00 0.00 C ATOM 739 CG2 VAL A 48 9.026 3.012 2.878 1.00 0.00 C ATOM 0 H VAL A 48 5.306 2.790 2.355 1.00 0.00 H new ATOM 0 HA VAL A 48 7.244 4.805 3.317 1.00 0.00 H new ATOM 0 HB VAL A 48 7.570 2.748 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.653 3.848 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.191 4.802 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.244 5.253 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.883 2.562 2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.362 3.847 3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.544 2.267 3.511 1.00 0.00 H new ATOM 749 N CYS A 49 5.312 6.089 2.407 1.00 0.00 N ATOM 750 CA CYS A 49 4.386 7.069 1.825 1.00 0.00 C ATOM 751 C CYS A 49 5.025 7.844 0.653 1.00 0.00 C ATOM 752 O CYS A 49 6.248 7.979 0.619 1.00 0.00 O ATOM 753 CB CYS A 49 3.940 8.030 2.940 1.00 0.00 C ATOM 754 SG CYS A 49 5.266 8.750 3.959 1.00 0.00 S ATOM 0 H CYS A 49 5.477 6.246 3.401 1.00 0.00 H new ATOM 0 HA CYS A 49 3.525 6.544 1.412 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.377 8.845 2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.254 7.497 3.598 1.00 0.00 H new ATOM 759 N PRO A 50 4.243 8.435 -0.279 1.00 0.00 N ATOM 760 CA PRO A 50 4.803 9.071 -1.479 1.00 0.00 C ATOM 761 C PRO A 50 5.845 10.182 -1.221 1.00 0.00 C ATOM 762 O PRO A 50 6.744 10.382 -2.044 1.00 0.00 O ATOM 763 CB PRO A 50 3.607 9.566 -2.303 1.00 0.00 C ATOM 764 CG PRO A 50 2.428 9.529 -1.331 1.00 0.00 C ATOM 765 CD PRO A 50 2.786 8.376 -0.398 1.00 0.00 C ATOM 0 HA PRO A 50 5.393 8.332 -2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.777 10.574 -2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.429 8.926 -3.167 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.323 10.469 -0.789 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.485 9.352 -1.848 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.304 8.488 0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.460 7.420 -0.807 1.00 0.00 H new ATOM 773 N TRP A 51 5.769 10.867 -0.071 1.00 0.00 N ATOM 774 CA TRP A 51 6.737 11.865 0.368 1.00 0.00 C ATOM 775 C TRP A 51 8.130 11.238 0.471 1.00 0.00 C ATOM 776 O TRP A 51 9.019 11.585 -0.307 1.00 0.00 O ATOM 777 CB TRP A 51 6.283 12.493 1.700 1.00 0.00 C ATOM 778 CG TRP A 51 7.350 13.210 2.478 1.00 0.00 C ATOM 779 CD1 TRP A 51 8.383 13.901 1.946 1.00 0.00 C ATOM 780 CD2 TRP A 51 7.561 13.242 3.924 1.00 0.00 C ATOM 781 NE1 TRP A 51 9.251 14.288 2.943 1.00 0.00 N ATOM 782 CE2 TRP A 51 8.787 13.923 4.189 1.00 0.00 C ATOM 783 CE3 TRP A 51 6.850 12.744 5.038 1.00 0.00 C ATOM 784 CZ2 TRP A 51 9.291 14.084 5.489 1.00 0.00 C ATOM 785 CZ3 TRP A 51 7.334 12.921 6.348 1.00 0.00 C ATOM 786 CH2 TRP A 51 8.554 13.582 6.575 1.00 0.00 C ATOM 0 H TRP A 51 5.007 10.733 0.594 1.00 0.00 H new ATOM 0 HA TRP A 51 6.794 12.667 -0.368 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.476 13.195 1.493 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.867 11.706 2.329 1.00 0.00 H new ATOM 0 HD1 TRP A 51 8.509 14.117 0.895 1.00 0.00 H new ATOM 0 HE1 TRP A 51 10.128 14.783 2.780 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.919 12.219 4.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.233 14.587 5.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.764 12.546 7.185 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.924 13.704 7.582 1.00 0.00 H new ATOM 797 N CYS A 52 8.335 10.312 1.412 1.00 0.00 N ATOM 798 CA CYS A 52 9.613 9.626 1.530 1.00 0.00 C ATOM 799 C CYS A 52 9.892 8.743 0.340 1.00 0.00 C ATOM 800 O CYS A 52 11.058 8.504 0.046 1.00 0.00 O ATOM 801 CB CYS A 52 9.658 8.759 2.761 1.00 0.00 C ATOM 802 SG CYS A 52 8.319 7.568 2.906 1.00 0.00 S ATOM 0 H CYS A 52 7.635 10.026 2.096 1.00 0.00 H new ATOM 0 HA CYS A 52 10.367 10.410 1.590 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.605 8.220 2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.647 9.403 3.640 1.00 0.00 H new ATOM 807 N ALA A 53 8.859 8.275 -0.365 1.00 0.00 N ATOM 808 CA ALA A 53 9.124 7.507 -1.551 1.00 0.00 C ATOM 809 C ALA A 53 9.858 8.366 -2.586 1.00 0.00 C ATOM 810 O ALA A 53 10.701 7.850 -3.322 1.00 0.00 O ATOM 811 CB ALA A 53 7.835 6.970 -2.164 1.00 0.00 C ATOM 0 H ALA A 53 7.875 8.414 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 53 9.750 6.662 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.070 6.394 -3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.328 6.329 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.184 7.803 -2.429 1.00 0.00 H new ATOM 817 N THR A 54 9.544 9.665 -2.613 1.00 0.00 N ATOM 818 CA THR A 54 10.215 10.678 -3.409 1.00 0.00 C ATOM 819 C THR A 54 11.563 11.070 -2.773 1.00 0.00 C ATOM 820 O THR A 54 12.562 11.137 -3.483 1.00 0.00 O ATOM 821 CB THR A 54 9.266 11.885 -3.568 1.00 0.00 C ATOM 822 OG1 THR A 54 7.995 11.461 -4.025 1.00 0.00 O ATOM 823 CG2 THR A 54 9.800 12.916 -4.566 1.00 0.00 C ATOM 0 H THR A 54 8.781 10.048 -2.054 1.00 0.00 H new ATOM 0 HA THR A 54 10.448 10.287 -4.399 1.00 0.00 H new ATOM 0 HB THR A 54 9.192 12.346 -2.583 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.456 11.163 -3.263 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.097 13.746 -4.643 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.765 13.289 -4.223 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.918 12.449 -5.544 1.00 0.00 H new ATOM 831 N ASN A 55 11.603 11.362 -1.462 1.00 0.00 N ATOM 832 CA ASN A 55 12.796 11.914 -0.792 1.00 0.00 C ATOM 833 C ASN A 55 13.908 10.878 -0.622 1.00 0.00 C ATOM 834 O ASN A 55 15.061 11.208 -0.890 1.00 0.00 O ATOM 835 CB ASN A 55 12.460 12.500 0.597 1.00 0.00 C ATOM 836 CG ASN A 55 11.675 13.808 0.585 1.00 0.00 C ATOM 837 OD1 ASN A 55 11.663 14.545 1.566 1.00 0.00 O ATOM 838 ND2 ASN A 55 10.980 14.116 -0.499 1.00 0.00 N ATOM 0 H ASN A 55 10.810 11.223 -0.836 1.00 0.00 H new ATOM 0 HA ASN A 55 13.149 12.708 -1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.889 11.759 1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 55 13.392 12.661 1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.428 14.973 -0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.997 13.496 -1.309 1.00 0.00 H new ATOM 845 N GLN A 56 13.530 9.684 -0.142 1.00 0.00 N ATOM 846 CA GLN A 56 14.245 8.459 0.240 1.00 0.00 C ATOM 847 C GLN A 56 13.947 8.095 1.699 1.00 0.00 C ATOM 848 O GLN A 56 14.212 6.931 2.080 1.00 0.00 O ATOM 849 CB GLN A 56 15.742 8.563 -0.054 1.00 0.00 C ATOM 850 CG GLN A 56 16.585 7.306 0.198 1.00 0.00 C ATOM 851 CD GLN A 56 16.259 6.106 -0.701 1.00 0.00 C ATOM 852 OE1 GLN A 56 15.441 6.157 -1.619 1.00 0.00 O ATOM 853 NE2 GLN A 56 16.901 4.973 -0.465 1.00 0.00 N ATOM 0 H GLN A 56 12.533 9.535 0.013 1.00 0.00 H new ATOM 0 HA GLN A 56 13.877 7.639 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.864 8.850 -1.098 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.151 9.373 0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.636 7.562 0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 56 16.457 7.005 1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.581 4.921 0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.716 4.152 -1.042 1.00 0.00 H new TER 862 GLN A 56 ATOM 863 N GLY B 1 14.498 8.683 4.929 1.00 0.00 N ATOM 864 CA GLY B 1 15.869 8.196 4.687 1.00 0.00 C ATOM 865 C GLY B 1 15.902 6.674 4.644 1.00 0.00 C ATOM 866 O GLY B 1 14.964 6.031 5.112 1.00 0.00 O ATOM 0 H1 GLY B 1 14.419 9.670 4.610 1.00 0.00 H new ATOM 0 H2 GLY B 1 13.822 8.094 4.402 1.00 0.00 H new ATOM 0 H3 GLY B 1 14.285 8.630 5.946 1.00 0.00 H new ATOM 0 HA2 GLY B 1 16.242 8.599 3.746 1.00 0.00 H new ATOM 0 HA3 GLY B 1 16.532 8.557 5.473 1.00 0.00 H new ATOM 870 N SER B 2 16.971 6.075 4.117 1.00 0.00 N ATOM 871 CA SER B 2 17.180 4.630 4.161 1.00 0.00 C ATOM 872 C SER B 2 18.500 4.326 4.870 1.00 0.00 C ATOM 873 O SER B 2 19.247 5.243 5.220 1.00 0.00 O ATOM 874 CB SER B 2 17.080 4.049 2.745 1.00 0.00 C ATOM 875 OG SER B 2 18.182 4.402 1.936 1.00 0.00 O ATOM 0 H SER B 2 17.719 6.583 3.645 1.00 0.00 H new ATOM 0 HA SER B 2 16.400 4.140 4.744 1.00 0.00 H new ATOM 0 HB2 SER B 2 17.011 2.963 2.806 1.00 0.00 H new ATOM 0 HB3 SER B 2 16.161 4.401 2.276 1.00 0.00 H new ATOM 0 HG SER B 2 18.463 3.625 1.409 1.00 0.00 H new ATOM 881 N HIS B 3 18.770 3.043 5.101 1.00 0.00 N ATOM 882 CA HIS B 3 20.003 2.553 5.695 1.00 0.00 C ATOM 883 C HIS B 3 21.067 2.461 4.595 1.00 0.00 C ATOM 884 O HIS B 3 22.213 2.856 4.802 1.00 0.00 O ATOM 885 CB HIS B 3 19.734 1.182 6.345 1.00 0.00 C ATOM 886 CG HIS B 3 18.417 1.099 7.084 1.00 0.00 C ATOM 887 ND1 HIS B 3 17.250 0.546 6.594 1.00 0.00 N ATOM 888 CD2 HIS B 3 18.137 1.637 8.311 1.00 0.00 C ATOM 889 CE1 HIS B 3 16.293 0.745 7.515 1.00 0.00 C ATOM 890 NE2 HIS B 3 16.785 1.405 8.579 1.00 0.00 N ATOM 0 H HIS B 3 18.114 2.296 4.871 1.00 0.00 H new ATOM 0 HA HIS B 3 20.365 3.228 6.471 1.00 0.00 H new ATOM 0 HB2 HIS B 3 19.754 0.415 5.571 1.00 0.00 H new ATOM 0 HB3 HIS B 3 20.543 0.956 7.039 1.00 0.00 H new ATOM 0 HD1 HIS B 3 17.136 0.073 5.697 1.00 0.00 H new ATOM 0 HD2 HIS B 3 18.835 2.149 8.956 1.00 0.00 H new ATOM 0 HE1 HIS B 3 15.268 0.420 7.415 1.00 0.00 H new ATOM 898 N MET B 4 20.671 1.971 3.415 1.00 0.00 N ATOM 899 CA MET B 4 21.430 1.971 2.168 1.00 0.00 C ATOM 900 C MET B 4 20.427 1.914 1.007 1.00 0.00 C ATOM 901 O MET B 4 19.258 2.265 1.181 1.00 0.00 O ATOM 902 CB MET B 4 22.494 0.848 2.165 1.00 0.00 C ATOM 903 CG MET B 4 21.995 -0.603 2.273 1.00 0.00 C ATOM 904 SD MET B 4 21.298 -1.170 3.852 1.00 0.00 S ATOM 905 CE MET B 4 22.665 -0.858 5.001 1.00 0.00 C ATOM 0 H MET B 4 19.754 1.538 3.303 1.00 0.00 H new ATOM 0 HA MET B 4 22.012 2.886 2.053 1.00 0.00 H new ATOM 0 HB2 MET B 4 23.074 0.937 1.247 1.00 0.00 H new ATOM 0 HB3 MET B 4 23.179 1.031 2.993 1.00 0.00 H new ATOM 0 HG2 MET B 4 21.236 -0.750 1.505 1.00 0.00 H new ATOM 0 HG3 MET B 4 22.830 -1.259 2.025 1.00 0.00 H new ATOM 0 HE1 MET B 4 22.452 -1.334 5.958 1.00 0.00 H new ATOM 0 HE2 MET B 4 23.587 -1.268 4.589 1.00 0.00 H new ATOM 0 HE3 MET B 4 22.779 0.216 5.148 1.00 0.00 H new ATOM 915 N ALA B 5 20.873 1.567 -0.201 1.00 0.00 N ATOM 916 CA ALA B 5 20.007 1.052 -1.237 1.00 0.00 C ATOM 917 C ALA B 5 19.810 -0.431 -0.935 1.00 0.00 C ATOM 918 O ALA B 5 20.783 -1.184 -0.910 1.00 0.00 O ATOM 919 CB ALA B 5 20.595 1.272 -2.626 1.00 0.00 C ATOM 0 H ALA B 5 21.852 1.639 -0.480 1.00 0.00 H new ATOM 0 HA ALA B 5 19.052 1.577 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA B 5 19.914 0.871 -3.377 1.00 0.00 H new ATOM 0 HB2 ALA B 5 20.736 2.339 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA B 5 21.556 0.763 -2.699 1.00 0.00 H new ATOM 925 N GLU B 6 18.575 -0.828 -0.632 1.00 0.00 N ATOM 926 CA GLU B 6 18.277 -2.054 0.094 1.00 0.00 C ATOM 927 C GLU B 6 17.047 -2.751 -0.509 1.00 0.00 C ATOM 928 O GLU B 6 16.132 -2.066 -0.976 1.00 0.00 O ATOM 929 CB GLU B 6 18.109 -1.718 1.590 1.00 0.00 C ATOM 930 CG GLU B 6 17.180 -0.526 1.874 1.00 0.00 C ATOM 931 CD GLU B 6 17.297 -0.044 3.324 1.00 0.00 C ATOM 932 OE1 GLU B 6 16.649 -0.625 4.220 1.00 0.00 O ATOM 933 OE2 GLU B 6 18.032 0.940 3.559 1.00 0.00 O ATOM 0 H GLU B 6 17.743 -0.296 -0.889 1.00 0.00 H new ATOM 0 HA GLU B 6 19.100 -2.763 0.002 1.00 0.00 H new ATOM 0 HB2 GLU B 6 17.721 -2.596 2.106 1.00 0.00 H new ATOM 0 HB3 GLU B 6 19.090 -1.507 2.015 1.00 0.00 H new ATOM 0 HG2 GLU B 6 17.424 0.294 1.198 1.00 0.00 H new ATOM 0 HG3 GLU B 6 16.149 -0.812 1.669 1.00 0.00 H new ATOM 940 N PRO B 7 17.013 -4.099 -0.524 1.00 0.00 N ATOM 941 CA PRO B 7 16.120 -4.907 -1.357 1.00 0.00 C ATOM 942 C PRO B 7 14.710 -5.046 -0.753 1.00 0.00 C ATOM 943 O PRO B 7 14.110 -6.123 -0.788 1.00 0.00 O ATOM 944 CB PRO B 7 16.858 -6.245 -1.509 1.00 0.00 C ATOM 945 CG PRO B 7 17.547 -6.405 -0.157 1.00 0.00 C ATOM 946 CD PRO B 7 17.942 -4.969 0.188 1.00 0.00 C ATOM 0 HA PRO B 7 15.923 -4.447 -2.325 1.00 0.00 H new ATOM 0 HB2 PRO B 7 16.170 -7.066 -1.712 1.00 0.00 H new ATOM 0 HB3 PRO B 7 17.576 -6.220 -2.329 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.879 -6.832 0.591 1.00 0.00 H new ATOM 0 HG3 PRO B 7 18.416 -7.060 -0.220 1.00 0.00 H new ATOM 0 HD2 PRO B 7 17.885 -4.799 1.263 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.970 -4.767 -0.113 1.00 0.00 H new ATOM 954 N GLN B 8 14.183 -3.948 -0.205 1.00 0.00 N ATOM 955 CA GLN B 8 12.848 -3.850 0.363 1.00 0.00 C ATOM 956 C GLN B 8 12.117 -2.652 -0.248 1.00 0.00 C ATOM 957 O GLN B 8 11.034 -2.834 -0.788 1.00 0.00 O ATOM 958 CB GLN B 8 12.898 -3.796 1.903 1.00 0.00 C ATOM 959 CG GLN B 8 12.908 -5.175 2.596 1.00 0.00 C ATOM 960 CD GLN B 8 14.160 -6.018 2.346 1.00 0.00 C ATOM 961 OE1 GLN B 8 15.277 -5.513 2.350 1.00 0.00 O ATOM 962 NE2 GLN B 8 14.018 -7.325 2.145 1.00 0.00 N ATOM 0 H GLN B 8 14.701 -3.071 -0.146 1.00 0.00 H new ATOM 0 HA GLN B 8 12.282 -4.748 0.113 1.00 0.00 H new ATOM 0 HB2 GLN B 8 13.789 -3.246 2.205 1.00 0.00 H new ATOM 0 HB3 GLN B 8 12.038 -3.230 2.261 1.00 0.00 H new ATOM 0 HG2 GLN B 8 12.798 -5.025 3.670 1.00 0.00 H new ATOM 0 HG3 GLN B 8 12.037 -5.739 2.262 1.00 0.00 H new ATOM 0 HE21 GLN B 8 13.087 -7.742 2.142 1.00 0.00 H new ATOM 0 HE22 GLN B 8 14.840 -7.910 1.994 1.00 0.00 H new ATOM 971 N ARG B 9 12.667 -1.432 -0.163 1.00 0.00 N ATOM 972 CA ARG B 9 12.097 -0.191 -0.707 1.00 0.00 C ATOM 973 C ARG B 9 11.813 -0.311 -2.211 1.00 0.00 C ATOM 974 O ARG B 9 12.667 0.014 -3.035 1.00 0.00 O ATOM 975 CB ARG B 9 13.039 0.973 -0.329 1.00 0.00 C ATOM 976 CG ARG B 9 12.596 2.385 -0.690 1.00 0.00 C ATOM 977 CD ARG B 9 13.030 2.863 -2.089 1.00 0.00 C ATOM 978 NE ARG B 9 13.290 4.315 -2.137 1.00 0.00 N ATOM 979 CZ ARG B 9 12.505 5.293 -2.606 1.00 0.00 C ATOM 980 NH1 ARG B 9 11.263 5.077 -3.032 1.00 0.00 N ATOM 981 NH2 ARG B 9 12.985 6.528 -2.654 1.00 0.00 N ATOM 0 H ARG B 9 13.559 -1.277 0.307 1.00 0.00 H new ATOM 0 HA ARG B 9 11.120 0.012 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG B 9 13.202 0.937 0.748 1.00 0.00 H new ATOM 0 HB3 ARG B 9 14.004 0.792 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG B 9 11.509 2.437 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG B 9 12.993 3.076 0.054 1.00 0.00 H new ATOM 0 HD2 ARG B 9 13.930 2.326 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG B 9 12.253 2.613 -2.812 1.00 0.00 H new ATOM 0 HE ARG B 9 14.190 4.614 -1.762 1.00 0.00 H new ATOM 0 HH11 ARG B 9 10.873 4.135 -3.009 1.00 0.00 H new ATOM 0 HH12 ARG B 9 10.701 5.854 -3.381 1.00 0.00 H new ATOM 0 HH21 ARG B 9 13.936 6.718 -2.337 1.00 0.00 H new ATOM 0 HH22 ARG B 9 12.404 7.288 -3.008 1.00 0.00 H new ATOM 995 N HIS B 10 10.608 -0.762 -2.570 1.00 0.00 N ATOM 996 CA HIS B 10 10.225 -1.171 -3.914 1.00 0.00 C ATOM 997 C HIS B 10 8.951 -0.440 -4.342 1.00 0.00 C ATOM 998 O HIS B 10 8.304 0.222 -3.533 1.00 0.00 O ATOM 999 CB HIS B 10 10.025 -2.692 -3.946 1.00 0.00 C ATOM 1000 CG HIS B 10 11.252 -3.547 -3.723 1.00 0.00 C ATOM 1001 ND1 HIS B 10 11.263 -4.852 -3.289 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.556 -3.173 -3.884 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.541 -5.258 -3.244 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.370 -4.269 -3.605 1.00 0.00 N ATOM 0 H HIS B 10 9.844 -0.854 -1.900 1.00 0.00 H new ATOM 0 HA HIS B 10 11.016 -0.908 -4.617 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.287 -2.953 -3.188 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.597 -2.958 -4.913 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.446 -5.411 -3.045 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.899 -2.192 -4.178 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.859 -6.249 -2.956 1.00 0.00 H new ATOM 1012 N LYS B 11 8.612 -0.517 -5.635 1.00 0.00 N ATOM 1013 CA LYS B 11 7.688 0.404 -6.290 1.00 0.00 C ATOM 1014 C LYS B 11 6.787 -0.373 -7.246 1.00 0.00 C ATOM 1015 O LYS B 11 7.190 -0.659 -8.372 1.00 0.00 O ATOM 1016 CB LYS B 11 8.479 1.506 -7.022 1.00 0.00 C ATOM 1017 CG LYS B 11 9.264 2.441 -6.079 1.00 0.00 C ATOM 1018 CD LYS B 11 10.792 2.268 -6.146 1.00 0.00 C ATOM 1019 CE LYS B 11 11.412 2.729 -7.474 1.00 0.00 C ATOM 1020 NZ LYS B 11 11.227 4.176 -7.724 1.00 0.00 N ATOM 0 H LYS B 11 8.980 -1.233 -6.261 1.00 0.00 H new ATOM 0 HA LYS B 11 7.055 0.888 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.176 1.039 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.787 2.103 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS B 11 9.016 3.474 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS B 11 8.934 2.266 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS B 11 11.248 2.828 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS B 11 11.036 1.218 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS B 11 12.478 2.499 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS B 11 10.966 2.164 -8.293 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 11.967 4.514 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.293 4.338 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.291 4.695 -6.825 1.00 0.00 H new ATOM 1034 N ILE B 12 5.581 -0.732 -6.800 1.00 0.00 N ATOM 1035 CA ILE B 12 4.569 -1.346 -7.652 1.00 0.00 C ATOM 1036 C ILE B 12 3.779 -0.196 -8.280 1.00 0.00 C ATOM 1037 O ILE B 12 2.911 0.382 -7.639 1.00 0.00 O ATOM 1038 CB ILE B 12 3.638 -2.303 -6.867 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.393 -3.328 -5.995 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.696 -2.993 -7.874 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.454 -4.095 -5.052 1.00 0.00 C ATOM 0 H ILE B 12 5.281 -0.603 -5.834 1.00 0.00 H new ATOM 0 HA ILE B 12 5.043 -1.966 -8.413 1.00 0.00 H new ATOM 0 HB ILE B 12 3.064 -1.711 -6.154 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.915 -4.036 -6.639 1.00 0.00 H new ATOM 0 HG13 ILE B 12 5.153 -2.812 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE B 12 2.030 -3.673 -7.342 1.00 0.00 H new ATOM 0 HG22 ILE B 12 2.105 -2.239 -8.395 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.286 -3.555 -8.598 1.00 0.00 H new ATOM 0 HD11 ILE B 12 4.033 -4.804 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.952 -3.392 -4.388 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.710 -4.634 -5.639 1.00 0.00 H new ATOM 1053 N LEU B 13 4.068 0.180 -9.522 1.00 0.00 N ATOM 1054 CA LEU B 13 3.240 1.128 -10.236 1.00 0.00 C ATOM 1055 C LEU B 13 1.881 0.494 -10.490 1.00 0.00 C ATOM 1056 O LEU B 13 1.768 -0.522 -11.174 1.00 0.00 O ATOM 1057 CB LEU B 13 3.915 1.624 -11.516 1.00 0.00 C ATOM 1058 CG LEU B 13 3.173 2.862 -12.069 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.197 3.807 -12.694 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.099 2.521 -13.111 1.00 0.00 C ATOM 0 H LEU B 13 4.871 -0.161 -10.050 1.00 0.00 H new ATOM 0 HA LEU B 13 3.097 2.020 -9.627 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.956 1.876 -11.312 1.00 0.00 H new ATOM 0 HB3 LEU B 13 3.920 0.831 -12.263 1.00 0.00 H new ATOM 0 HG LEU B 13 2.655 3.327 -11.230 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.687 4.686 -13.089 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.918 4.115 -11.936 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.718 3.295 -13.503 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.621 3.438 -13.454 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.562 2.014 -13.958 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.351 1.868 -12.662 1.00 0.00 H new ATOM 1072 N CYS B 14 0.861 1.126 -9.925 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.540 0.841 -10.135 1.00 0.00 C ATOM 1074 C CYS B 14 -1.243 2.145 -10.543 1.00 0.00 C ATOM 1075 O CYS B 14 -0.605 3.190 -10.730 1.00 0.00 O ATOM 1076 CB CYS B 14 -1.106 0.234 -8.842 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.582 -0.768 -9.174 1.00 0.00 S ATOM 0 H CYS B 14 1.005 1.895 -9.271 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.699 0.119 -10.936 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.345 -0.383 -8.364 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.355 1.032 -8.142 1.00 0.00 H new ATOM 0 HG CYS B 14 -2.747 -1.629 -8.214 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.570 2.096 -10.652 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.407 3.273 -10.811 1.00 0.00 C ATOM 1085 C VAL B 15 -4.467 3.270 -9.717 1.00 0.00 C ATOM 1086 O VAL B 15 -4.810 2.222 -9.166 1.00 0.00 O ATOM 1087 CB VAL B 15 -4.017 3.370 -12.224 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -2.931 3.706 -13.256 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -4.764 2.092 -12.638 1.00 0.00 C ATOM 0 H VAL B 15 -3.096 1.223 -10.631 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.792 4.167 -10.705 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.752 4.175 -12.194 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.379 3.771 -14.248 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.471 4.661 -13.003 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.171 2.925 -13.252 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.172 2.218 -13.641 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.074 1.248 -12.630 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.577 1.902 -11.937 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.961 4.460 -9.384 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.948 4.635 -8.343 1.00 0.00 C ATOM 1101 C CYS B 16 -7.299 4.107 -8.807 1.00 0.00 C ATOM 1102 O CYS B 16 -7.779 4.490 -9.873 1.00 0.00 O ATOM 1103 CB CYS B 16 -6.069 6.113 -7.995 1.00 0.00 C ATOM 1104 SG CYS B 16 -6.974 6.172 -6.438 1.00 0.00 S ATOM 0 H CYS B 16 -4.681 5.330 -9.837 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.634 4.078 -7.460 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -5.086 6.574 -7.895 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.598 6.658 -8.777 1.00 0.00 H new ATOM 0 HG CYS B 16 -6.530 7.157 -5.715 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.945 3.299 -7.969 1.00 0.00 N ATOM 1110 CA CYS B 17 -9.180 2.615 -8.334 1.00 0.00 C ATOM 1111 C CYS B 17 -10.295 3.595 -8.718 1.00 0.00 C ATOM 1112 O CYS B 17 -11.048 3.337 -9.654 1.00 0.00 O ATOM 1113 CB CYS B 17 -9.621 1.732 -7.165 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.792 0.478 -7.742 1.00 0.00 S ATOM 0 H CYS B 17 -7.627 3.101 -7.020 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.986 2.003 -9.215 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.753 1.251 -6.715 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -10.083 2.344 -6.391 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.109 -0.307 -6.755 1.00 0.00 H new ATOM 1120 N LYS B 18 -10.404 4.728 -8.007 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.558 5.612 -8.118 1.00 0.00 C ATOM 1122 C LYS B 18 -11.304 6.826 -9.015 1.00 0.00 C ATOM 1123 O LYS B 18 -12.262 7.505 -9.374 1.00 0.00 O ATOM 1124 CB LYS B 18 -12.025 5.991 -6.703 1.00 0.00 C ATOM 1125 CG LYS B 18 -11.111 7.007 -5.988 1.00 0.00 C ATOM 1126 CD LYS B 18 -11.656 8.443 -6.078 1.00 0.00 C ATOM 1127 CE LYS B 18 -12.867 8.656 -5.164 1.00 0.00 C ATOM 1128 NZ LYS B 18 -13.459 10.001 -5.348 1.00 0.00 N ATOM 0 H LYS B 18 -9.697 5.049 -7.346 1.00 0.00 H new ATOM 0 HA LYS B 18 -12.363 5.078 -8.623 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -13.032 6.404 -6.763 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.087 5.086 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.007 6.725 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.115 6.970 -6.429 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -10.869 9.147 -5.807 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.937 8.660 -7.109 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -13.619 7.895 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.565 8.530 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.276 10.110 -4.714 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.748 10.727 -5.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.769 10.112 -6.334 1.00 0.00 H new ATOM 1142 N CYS B 19 -10.041 7.134 -9.341 1.00 0.00 N ATOM 1143 CA CYS B 19 -9.658 8.325 -10.074 1.00 0.00 C ATOM 1144 C CYS B 19 -8.601 8.077 -11.160 1.00 0.00 C ATOM 1145 O CYS B 19 -8.181 9.041 -11.795 1.00 0.00 O ATOM 1146 CB CYS B 19 -9.202 9.377 -9.059 1.00 0.00 C ATOM 1147 SG CYS B 19 -7.798 8.996 -7.975 1.00 0.00 S ATOM 0 H CYS B 19 -9.248 6.542 -9.092 1.00 0.00 H new ATOM 0 HA CYS B 19 -10.526 8.681 -10.629 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -8.956 10.284 -9.612 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -10.055 9.613 -8.423 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.169 6.824 -11.375 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.195 6.394 -12.390 1.00 0.00 C ATOM 1154 C ASP B 20 -5.851 7.138 -12.319 1.00 0.00 C ATOM 1155 O ASP B 20 -5.082 7.168 -13.279 1.00 0.00 O ATOM 1156 CB ASP B 20 -7.844 6.406 -13.786 1.00 0.00 C ATOM 1157 CG ASP B 20 -7.046 5.601 -14.821 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -6.572 4.500 -14.456 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -6.977 6.066 -15.981 1.00 0.00 O ATOM 0 H ASP B 20 -8.508 6.042 -10.815 1.00 0.00 H new ATOM 0 HA ASP B 20 -6.919 5.364 -12.166 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -8.853 5.999 -13.716 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -7.939 7.436 -14.129 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.537 7.747 -11.168 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.286 8.480 -11.020 1.00 0.00 C ATOM 1166 C GLY B 21 -3.128 7.501 -10.937 1.00 0.00 C ATOM 1167 O GLY B 21 -3.260 6.428 -10.356 1.00 0.00 O ATOM 0 H GLY B 21 -6.129 7.744 -10.337 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.146 9.154 -11.865 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.319 9.097 -10.122 1.00 0.00 H new ATOM 1171 N ARG B 22 -1.981 7.898 -11.478 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.739 7.126 -11.470 1.00 0.00 C ATOM 1173 C ARG B 22 -0.250 7.008 -10.030 1.00 0.00 C ATOM 1174 O ARG B 22 0.092 8.035 -9.442 1.00 0.00 O ATOM 1175 CB ARG B 22 0.271 7.840 -12.390 1.00 0.00 C ATOM 1176 CG ARG B 22 1.648 7.169 -12.540 1.00 0.00 C ATOM 1177 CD ARG B 22 2.695 7.640 -11.515 1.00 0.00 C ATOM 1178 NE ARG B 22 4.046 7.208 -11.913 1.00 0.00 N ATOM 1179 CZ ARG B 22 5.146 7.222 -11.147 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.186 7.836 -9.968 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.244 6.579 -11.529 1.00 0.00 N ATOM 0 H ARG B 22 -1.885 8.797 -11.951 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.879 6.114 -11.849 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.174 7.933 -13.381 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.422 8.851 -12.013 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.526 6.090 -12.448 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.026 7.362 -13.544 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.665 8.726 -11.431 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.454 7.237 -10.531 1.00 0.00 H new ATOM 0 HE ARG B 22 4.155 6.864 -12.867 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.360 8.320 -9.616 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.043 7.823 -9.415 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.255 6.069 -12.412 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.076 6.596 -10.939 1.00 0.00 H new ATOM 1195 N ILE B 23 -0.179 5.792 -9.469 1.00 0.00 N ATOM 1196 CA ILE B 23 0.356 5.591 -8.126 1.00 0.00 C ATOM 1197 C ILE B 23 1.524 4.613 -8.195 1.00 0.00 C ATOM 1198 O ILE B 23 1.352 3.422 -8.439 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.681 5.118 -7.081 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -2.120 5.646 -7.236 1.00 0.00 C ATOM 1201 CG2 ILE B 23 -0.102 5.558 -5.717 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -3.081 4.981 -6.238 1.00 0.00 C ATOM 0 H ILE B 23 -0.487 4.936 -9.930 1.00 0.00 H new ATOM 0 HA ILE B 23 0.684 6.570 -7.776 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.809 4.042 -7.203 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -2.129 6.726 -7.086 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.467 5.463 -8.253 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.782 5.258 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE B 23 0.868 5.085 -5.564 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.017 6.641 -5.704 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -4.085 5.380 -6.379 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -3.092 3.904 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.749 5.187 -5.221 1.00 0.00 H new ATOM 1214 N GLU B 24 2.727 5.119 -7.946 1.00 0.00 N ATOM 1215 CA GLU B 24 3.906 4.309 -7.702 1.00 0.00 C ATOM 1216 C GLU B 24 3.835 3.791 -6.264 1.00 0.00 C ATOM 1217 O GLU B 24 4.319 4.451 -5.336 1.00 0.00 O ATOM 1218 CB GLU B 24 5.109 5.189 -8.028 1.00 0.00 C ATOM 1219 CG GLU B 24 6.460 4.486 -7.956 1.00 0.00 C ATOM 1220 CD GLU B 24 7.608 5.360 -8.496 1.00 0.00 C ATOM 1221 OE1 GLU B 24 7.336 6.424 -9.111 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.773 4.931 -8.339 1.00 0.00 O ATOM 0 H GLU B 24 2.909 6.122 -7.908 1.00 0.00 H new ATOM 0 HA GLU B 24 3.985 3.419 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.981 5.596 -9.031 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.119 6.034 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.670 4.214 -6.922 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.414 3.558 -8.526 1.00 0.00 H new ATOM 1229 N LEU B 25 3.162 2.644 -6.078 1.00 0.00 N ATOM 1230 CA LEU B 25 2.872 2.077 -4.765 1.00 0.00 C ATOM 1231 C LEU B 25 4.196 1.668 -4.149 1.00 0.00 C ATOM 1232 O LEU B 25 4.749 0.610 -4.466 1.00 0.00 O ATOM 1233 CB LEU B 25 1.925 0.863 -4.793 1.00 0.00 C ATOM 1234 CG LEU B 25 0.597 1.010 -5.551 1.00 0.00 C ATOM 1235 CD1 LEU B 25 -0.206 -0.293 -5.445 1.00 0.00 C ATOM 1236 CD2 LEU B 25 -0.208 2.161 -4.964 1.00 0.00 C ATOM 0 H LEU B 25 2.802 2.082 -6.850 1.00 0.00 H new ATOM 0 HA LEU B 25 2.353 2.838 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.468 0.024 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.695 0.594 -3.762 1.00 0.00 H new ATOM 0 HG LEU B 25 0.805 1.219 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.147 -0.185 -5.984 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.369 -1.111 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.411 -0.510 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.149 2.260 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.414 1.962 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.362 3.086 -5.053 1.00 0.00 H new ATOM 1248 N THR B 26 4.735 2.552 -3.321 1.00 0.00 N ATOM 1249 CA THR B 26 6.045 2.355 -2.762 1.00 0.00 C ATOM 1250 C THR B 26 5.853 1.571 -1.473 1.00 0.00 C ATOM 1251 O THR B 26 5.398 2.098 -0.458 1.00 0.00 O ATOM 1252 CB THR B 26 6.786 3.681 -2.646 1.00 0.00 C ATOM 1253 OG1 THR B 26 6.791 4.313 -3.919 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.238 3.412 -2.230 1.00 0.00 C ATOM 0 H THR B 26 4.275 3.413 -3.027 1.00 0.00 H new ATOM 0 HA THR B 26 6.703 1.767 -3.401 1.00 0.00 H new ATOM 0 HB THR B 26 6.297 4.315 -1.907 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.869 4.436 -4.227 1.00 0.00 H new ATOM 0 HG21 THR B 26 8.773 4.358 -2.145 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.252 2.900 -1.268 1.00 0.00 H new ATOM 0 HG23 THR B 26 8.722 2.787 -2.981 1.00 0.00 H new ATOM 1262 N VAL B 27 6.127 0.274 -1.557 1.00 0.00 N ATOM 1263 CA VAL B 27 5.934 -0.675 -0.474 1.00 0.00 C ATOM 1264 C VAL B 27 7.314 -1.263 -0.214 1.00 0.00 C ATOM 1265 O VAL B 27 8.110 -1.453 -1.138 1.00 0.00 O ATOM 1266 CB VAL B 27 4.840 -1.713 -0.836 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.553 -1.033 -1.328 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.310 -2.690 -1.927 1.00 0.00 C ATOM 0 H VAL B 27 6.499 -0.155 -2.404 1.00 0.00 H new ATOM 0 HA VAL B 27 5.556 -0.219 0.441 1.00 0.00 H new ATOM 0 HB VAL B 27 4.640 -2.263 0.083 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.810 -1.793 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.163 -0.382 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.771 -0.441 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.512 -3.399 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.562 -2.133 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL B 27 6.189 -3.231 -1.577 1.00 0.00 H new ATOM 1278 N GLU B 28 7.640 -1.478 1.052 1.00 0.00 N ATOM 1279 CA GLU B 28 9.018 -1.638 1.458 1.00 0.00 C ATOM 1280 C GLU B 28 9.133 -3.098 1.894 1.00 0.00 C ATOM 1281 O GLU B 28 8.988 -3.411 3.071 1.00 0.00 O ATOM 1282 CB GLU B 28 9.316 -0.541 2.494 1.00 0.00 C ATOM 1283 CG GLU B 28 10.763 -0.031 2.536 1.00 0.00 C ATOM 1284 CD GLU B 28 11.156 0.610 3.875 1.00 0.00 C ATOM 1285 OE1 GLU B 28 10.700 0.107 4.932 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.901 1.616 3.827 1.00 0.00 O ATOM 0 H GLU B 28 6.964 -1.545 1.813 1.00 0.00 H new ATOM 0 HA GLU B 28 9.785 -1.491 0.698 1.00 0.00 H new ATOM 0 HB2 GLU B 28 8.659 0.306 2.296 1.00 0.00 H new ATOM 0 HB3 GLU B 28 9.057 -0.922 3.482 1.00 0.00 H new ATOM 0 HG2 GLU B 28 11.437 -0.862 2.330 1.00 0.00 H new ATOM 0 HG3 GLU B 28 10.904 0.699 1.739 1.00 0.00 H new ATOM 1293 N SER B 29 9.272 -4.014 0.921 1.00 0.00 N ATOM 1294 CA SER B 29 9.263 -5.447 1.190 1.00 0.00 C ATOM 1295 C SER B 29 10.070 -6.212 0.159 1.00 0.00 C ATOM 1296 O SER B 29 10.211 -5.787 -0.988 1.00 0.00 O ATOM 1297 CB SER B 29 7.843 -6.015 1.175 1.00 0.00 C ATOM 1298 OG SER B 29 7.826 -7.144 2.028 1.00 0.00 O ATOM 0 H SER B 29 9.392 -3.777 -0.064 1.00 0.00 H new ATOM 0 HA SER B 29 9.704 -5.568 2.179 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.127 -5.267 1.516 1.00 0.00 H new ATOM 0 HB3 SER B 29 7.553 -6.295 0.162 1.00 0.00 H new ATOM 0 HG SER B 29 6.919 -7.513 2.065 1.00 0.00 H new ATOM 1304 N SER B 30 10.533 -7.386 0.579 1.00 0.00 N ATOM 1305 CA SER B 30 11.312 -8.331 -0.198 1.00 0.00 C ATOM 1306 C SER B 30 10.600 -8.634 -1.516 1.00 0.00 C ATOM 1307 O SER B 30 9.371 -8.715 -1.554 1.00 0.00 O ATOM 1308 CB SER B 30 11.497 -9.599 0.642 1.00 0.00 C ATOM 1309 OG SER B 30 11.828 -9.251 1.978 1.00 0.00 O ATOM 0 H SER B 30 10.361 -7.718 1.528 1.00 0.00 H new ATOM 0 HA SER B 30 12.290 -7.916 -0.444 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.582 -10.192 0.628 1.00 0.00 H new ATOM 0 HB3 SER B 30 12.285 -10.218 0.213 1.00 0.00 H new ATOM 0 HG SER B 30 11.007 -9.072 2.482 1.00 0.00 H new ATOM 1315 N ALA B 31 11.363 -8.814 -2.599 1.00 0.00 N ATOM 1316 CA ALA B 31 10.811 -8.807 -3.950 1.00 0.00 C ATOM 1317 C ALA B 31 9.648 -9.785 -4.137 1.00 0.00 C ATOM 1318 O ALA B 31 8.695 -9.449 -4.839 1.00 0.00 O ATOM 1319 CB ALA B 31 11.924 -9.087 -4.964 1.00 0.00 C ATOM 0 H ALA B 31 12.371 -8.967 -2.561 1.00 0.00 H new ATOM 0 HA ALA B 31 10.396 -7.814 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA B 31 11.508 -9.081 -5.972 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.692 -8.317 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA B 31 12.366 -10.062 -4.760 1.00 0.00 H new ATOM 1325 N GLU B 32 9.682 -10.959 -3.493 1.00 0.00 N ATOM 1326 CA GLU B 32 8.649 -11.963 -3.697 1.00 0.00 C ATOM 1327 C GLU B 32 7.514 -11.918 -2.673 1.00 0.00 C ATOM 1328 O GLU B 32 6.412 -12.409 -2.928 1.00 0.00 O ATOM 1329 CB GLU B 32 9.261 -13.353 -3.879 1.00 0.00 C ATOM 1330 CG GLU B 32 8.639 -13.955 -5.151 1.00 0.00 C ATOM 1331 CD GLU B 32 9.261 -15.242 -5.683 1.00 0.00 C ATOM 1332 OE1 GLU B 32 9.993 -15.924 -4.936 1.00 0.00 O ATOM 1333 OE2 GLU B 32 8.974 -15.511 -6.875 1.00 0.00 O ATOM 0 H GLU B 32 10.411 -11.229 -2.833 1.00 0.00 H new ATOM 0 HA GLU B 32 8.151 -11.707 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU B 32 10.345 -13.288 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU B 32 9.054 -13.982 -3.013 1.00 0.00 H new ATOM 0 HG2 GLU B 32 7.584 -14.144 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU B 32 8.687 -13.204 -5.940 1.00 0.00 H new ATOM 1340 N ASP B 33 7.736 -11.231 -1.557 1.00 0.00 N ATOM 1341 CA ASP B 33 6.688 -10.773 -0.670 1.00 0.00 C ATOM 1342 C ASP B 33 5.865 -9.694 -1.394 1.00 0.00 C ATOM 1343 O ASP B 33 4.632 -9.750 -1.440 1.00 0.00 O ATOM 1344 CB ASP B 33 7.371 -10.275 0.606 1.00 0.00 C ATOM 1345 CG ASP B 33 6.378 -9.840 1.664 1.00 0.00 C ATOM 1346 OD1 ASP B 33 6.026 -8.635 1.637 1.00 0.00 O ATOM 1347 OD2 ASP B 33 6.078 -10.685 2.538 1.00 0.00 O ATOM 0 H ASP B 33 8.672 -10.975 -1.243 1.00 0.00 H new ATOM 0 HA ASP B 33 5.985 -11.559 -0.394 1.00 0.00 H new ATOM 0 HB2 ASP B 33 8.003 -11.067 1.009 1.00 0.00 H new ATOM 0 HB3 ASP B 33 8.026 -9.439 0.361 1.00 0.00 H new ATOM 1352 N LEU B 34 6.570 -8.790 -2.095 1.00 0.00 N ATOM 1353 CA LEU B 34 5.979 -7.778 -2.978 1.00 0.00 C ATOM 1354 C LEU B 34 5.186 -8.447 -4.100 1.00 0.00 C ATOM 1355 O LEU B 34 4.067 -8.062 -4.415 1.00 0.00 O ATOM 1356 CB LEU B 34 7.083 -6.839 -3.498 1.00 0.00 C ATOM 1357 CG LEU B 34 6.743 -6.054 -4.790 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.408 -4.680 -4.708 1.00 0.00 C ATOM 1359 CD2 LEU B 34 7.271 -6.721 -6.072 1.00 0.00 C ATOM 0 H LEU B 34 7.588 -8.744 -2.061 1.00 0.00 H new ATOM 0 HA LEU B 34 5.269 -7.166 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.325 -6.123 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.981 -7.429 -3.679 1.00 0.00 H new ATOM 0 HG LEU B 34 5.656 -6.009 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU B 34 7.180 -4.111 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU B 34 7.031 -4.145 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.487 -4.803 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.996 -6.117 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU B 34 8.356 -6.805 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.835 -7.715 -6.171 1.00 0.00 H new ATOM 1371 N ARG B 35 5.790 -9.469 -4.690 1.00 0.00 N ATOM 1372 CA ARG B 35 5.253 -10.278 -5.781 1.00 0.00 C ATOM 1373 C ARG B 35 3.980 -10.939 -5.305 1.00 0.00 C ATOM 1374 O ARG B 35 2.982 -10.884 -6.010 1.00 0.00 O ATOM 1375 CB ARG B 35 6.243 -11.347 -6.264 1.00 0.00 C ATOM 1376 CG ARG B 35 5.811 -12.020 -7.575 1.00 0.00 C ATOM 1377 CD ARG B 35 6.787 -13.127 -8.000 1.00 0.00 C ATOM 1378 NE ARG B 35 6.380 -13.730 -9.278 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.893 -14.835 -9.842 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.847 -15.563 -9.261 1.00 0.00 N ATOM 1381 NH2 ARG B 35 6.433 -15.223 -11.033 1.00 0.00 N ATOM 0 H ARG B 35 6.721 -9.775 -4.406 1.00 0.00 H new ATOM 0 HA ARG B 35 5.060 -9.620 -6.629 1.00 0.00 H new ATOM 0 HB2 ARG B 35 7.223 -10.890 -6.403 1.00 0.00 H new ATOM 0 HB3 ARG B 35 6.353 -12.108 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.813 -12.442 -7.455 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.747 -11.270 -8.364 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.792 -12.714 -8.093 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.828 -13.896 -7.228 1.00 0.00 H new ATOM 0 HE ARG B 35 5.632 -13.261 -9.788 1.00 0.00 H new ATOM 0 HH11 ARG B 35 8.216 -15.287 -8.351 1.00 0.00 H new ATOM 0 HH12 ARG B 35 8.208 -16.396 -9.726 1.00 0.00 H new ATOM 0 HH21 ARG B 35 5.704 -14.683 -11.499 1.00 0.00 H new ATOM 0 HH22 ARG B 35 6.810 -16.060 -11.478 1.00 0.00 H new ATOM 1395 N THR B 36 4.005 -11.553 -4.128 1.00 0.00 N ATOM 1396 CA THR B 36 2.830 -12.192 -3.560 1.00 0.00 C ATOM 1397 C THR B 36 1.695 -11.165 -3.445 1.00 0.00 C ATOM 1398 O THR B 36 0.591 -11.427 -3.928 1.00 0.00 O ATOM 1399 CB THR B 36 3.190 -12.877 -2.230 1.00 0.00 C ATOM 1400 OG1 THR B 36 4.284 -13.758 -2.415 1.00 0.00 O ATOM 1401 CG2 THR B 36 2.019 -13.718 -1.710 1.00 0.00 C ATOM 0 H THR B 36 4.839 -11.620 -3.544 1.00 0.00 H new ATOM 0 HA THR B 36 2.468 -12.985 -4.215 1.00 0.00 H new ATOM 0 HB THR B 36 3.435 -12.089 -1.518 1.00 0.00 H new ATOM 0 HG1 THR B 36 5.122 -13.279 -2.247 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.300 -14.191 -0.769 1.00 0.00 H new ATOM 0 HG22 THR B 36 1.153 -13.076 -1.549 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.770 -14.486 -2.442 1.00 0.00 H new ATOM 1409 N LEU B 37 1.963 -9.963 -2.913 1.00 0.00 N ATOM 1410 CA LEU B 37 0.930 -8.924 -2.862 1.00 0.00 C ATOM 1411 C LEU B 37 0.542 -8.407 -4.258 1.00 0.00 C ATOM 1412 O LEU B 37 -0.612 -8.044 -4.471 1.00 0.00 O ATOM 1413 CB LEU B 37 1.299 -7.833 -1.842 1.00 0.00 C ATOM 1414 CG LEU B 37 1.775 -6.476 -2.400 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.624 -5.443 -2.389 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.889 -5.960 -1.496 1.00 0.00 C ATOM 0 H LEU B 37 2.865 -9.692 -2.521 1.00 0.00 H new ATOM 0 HA LEU B 37 0.008 -9.372 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.428 -7.652 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.084 -8.226 -1.196 1.00 0.00 H new ATOM 0 HG LEU B 37 2.118 -6.611 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.983 -4.494 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.198 -5.807 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.274 -5.299 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU B 37 3.245 -4.999 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.508 -5.837 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.713 -6.674 -1.490 1.00 0.00 H new ATOM 1428 N GLN B 38 1.449 -8.436 -5.240 1.00 0.00 N ATOM 1429 CA GLN B 38 1.130 -8.141 -6.629 1.00 0.00 C ATOM 1430 C GLN B 38 0.170 -9.217 -7.160 1.00 0.00 C ATOM 1431 O GLN B 38 -0.736 -8.887 -7.921 1.00 0.00 O ATOM 1432 CB GLN B 38 2.435 -8.022 -7.433 1.00 0.00 C ATOM 1433 CG GLN B 38 2.310 -7.991 -8.965 1.00 0.00 C ATOM 1434 CD GLN B 38 3.607 -8.503 -9.585 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.665 -9.620 -10.095 1.00 0.00 O ATOM 1436 NE2 GLN B 38 4.688 -7.742 -9.480 1.00 0.00 N ATOM 0 H GLN B 38 2.430 -8.667 -5.086 1.00 0.00 H new ATOM 0 HA GLN B 38 0.616 -7.185 -6.728 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.946 -7.113 -7.116 1.00 0.00 H new ATOM 0 HB3 GLN B 38 3.077 -8.860 -7.162 1.00 0.00 H new ATOM 0 HG2 GLN B 38 1.471 -8.608 -9.286 1.00 0.00 H new ATOM 0 HG3 GLN B 38 2.107 -6.975 -9.305 1.00 0.00 H new ATOM 0 HE21 GLN B 38 4.622 -6.818 -9.054 1.00 0.00 H new ATOM 0 HE22 GLN B 38 5.586 -8.081 -9.825 1.00 0.00 H new ATOM 1445 N GLN B 39 0.310 -10.485 -6.740 1.00 0.00 N ATOM 1446 CA GLN B 39 -0.621 -11.536 -7.123 1.00 0.00 C ATOM 1447 C GLN B 39 -1.987 -11.283 -6.483 1.00 0.00 C ATOM 1448 O GLN B 39 -3.000 -11.502 -7.141 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.125 -12.951 -6.798 1.00 0.00 C ATOM 1450 CG GLN B 39 1.292 -13.301 -7.273 1.00 0.00 C ATOM 1451 CD GLN B 39 1.700 -12.707 -8.625 1.00 0.00 C ATOM 1452 OE1 GLN B 39 1.317 -13.193 -9.681 1.00 0.00 O ATOM 1453 NE2 GLN B 39 2.505 -11.653 -8.589 1.00 0.00 N ATOM 0 H GLN B 39 1.066 -10.799 -6.132 1.00 0.00 H new ATOM 0 HA GLN B 39 -0.706 -11.494 -8.209 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.167 -13.089 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -0.820 -13.666 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN B 39 2.003 -12.964 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.379 -14.386 -7.331 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.806 -11.272 -7.692 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.823 -11.224 -9.458 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.036 -10.764 -5.245 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.292 -10.287 -4.664 1.00 0.00 C ATOM 1464 C LEU B 40 -3.909 -9.196 -5.549 1.00 0.00 C ATOM 1465 O LEU B 40 -5.102 -9.254 -5.832 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.133 -9.784 -3.218 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.470 -10.742 -2.207 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.389 -10.062 -0.833 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.177 -12.094 -2.078 1.00 0.00 C ATOM 0 H LEU B 40 -1.224 -10.666 -4.635 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.965 -11.144 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.550 -8.863 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.122 -9.525 -2.840 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.473 -10.957 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.920 -10.739 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.796 -9.151 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.393 -9.812 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.652 -12.711 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.204 -11.938 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.179 -12.597 -3.045 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.122 -8.225 -6.030 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.621 -7.171 -6.921 1.00 0.00 C ATOM 1483 C PHE B 41 -4.136 -7.758 -8.236 1.00 0.00 C ATOM 1484 O PHE B 41 -5.196 -7.367 -8.716 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.544 -6.102 -7.170 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.612 -4.930 -6.210 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -2.303 -5.105 -4.849 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -3.020 -3.664 -6.672 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -2.415 -4.030 -3.951 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -3.121 -2.586 -5.778 1.00 0.00 C ATOM 1491 CZ PHE B 41 -2.831 -2.774 -4.416 1.00 0.00 C ATOM 0 H PHE B 41 -2.128 -8.148 -5.814 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.462 -6.685 -6.426 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.561 -6.566 -7.094 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -2.643 -5.731 -8.190 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -1.978 -6.071 -4.492 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -3.256 -3.522 -7.716 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -2.181 -4.171 -2.906 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -3.421 -1.613 -6.137 1.00 0.00 H new ATOM 0 HZ PHE B 41 -2.929 -1.949 -3.726 1.00 0.00 H new ATOM 1501 N LEU B 42 -3.404 -8.717 -8.806 1.00 0.00 N ATOM 1502 CA LEU B 42 -3.804 -9.424 -10.016 1.00 0.00 C ATOM 1503 C LEU B 42 -5.071 -10.264 -9.802 1.00 0.00 C ATOM 1504 O LEU B 42 -5.827 -10.461 -10.750 1.00 0.00 O ATOM 1505 CB LEU B 42 -2.633 -10.305 -10.479 1.00 0.00 C ATOM 1506 CG LEU B 42 -1.489 -9.515 -11.150 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -0.225 -10.379 -11.233 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -1.874 -9.054 -12.564 1.00 0.00 C ATOM 0 H LEU B 42 -2.506 -9.026 -8.433 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.047 -8.692 -10.786 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.235 -10.845 -9.620 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.007 -11.052 -11.180 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.299 -8.634 -10.537 1.00 0.00 H new ATOM 0 HD11 LEU B 42 0.574 -9.810 -11.708 1.00 0.00 H new ATOM 0 HD12 LEU B 42 0.084 -10.669 -10.229 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.433 -11.273 -11.821 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -1.044 -8.501 -13.005 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.100 -9.924 -13.181 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -2.751 -8.410 -12.510 1.00 0.00 H new ATOM 1520 N SER B 43 -5.301 -10.764 -8.582 1.00 0.00 N ATOM 1521 CA SER B 43 -6.461 -11.558 -8.215 1.00 0.00 C ATOM 1522 C SER B 43 -7.693 -10.676 -7.966 1.00 0.00 C ATOM 1523 O SER B 43 -8.745 -10.889 -8.567 1.00 0.00 O ATOM 1524 CB SER B 43 -6.096 -12.376 -6.964 1.00 0.00 C ATOM 1525 OG SER B 43 -7.093 -13.318 -6.629 1.00 0.00 O ATOM 0 H SER B 43 -4.659 -10.617 -7.803 1.00 0.00 H new ATOM 0 HA SER B 43 -6.726 -12.226 -9.034 1.00 0.00 H new ATOM 0 HB2 SER B 43 -5.152 -12.894 -7.134 1.00 0.00 H new ATOM 0 HB3 SER B 43 -5.941 -11.700 -6.123 1.00 0.00 H new ATOM 0 HG SER B 43 -6.818 -13.815 -5.830 1.00 0.00 H new ATOM 1531 N THR B 44 -7.567 -9.711 -7.051 1.00 0.00 N ATOM 1532 CA THR B 44 -8.659 -9.068 -6.344 1.00 0.00 C ATOM 1533 C THR B 44 -8.410 -7.609 -5.943 1.00 0.00 C ATOM 1534 O THR B 44 -9.371 -6.854 -5.803 1.00 0.00 O ATOM 1535 CB THR B 44 -8.912 -9.868 -5.045 1.00 0.00 C ATOM 1536 OG1 THR B 44 -7.675 -10.306 -4.507 1.00 0.00 O ATOM 1537 CG2 THR B 44 -9.789 -11.098 -5.278 1.00 0.00 C ATOM 0 H THR B 44 -6.655 -9.346 -6.776 1.00 0.00 H new ATOM 0 HA THR B 44 -9.503 -9.058 -7.034 1.00 0.00 H new ATOM 0 HB THR B 44 -9.430 -9.199 -4.357 1.00 0.00 H new ATOM 0 HG1 THR B 44 -7.777 -10.475 -3.547 1.00 0.00 H new ATOM 0 HG21 THR B 44 -9.936 -11.624 -4.335 1.00 0.00 H new ATOM 0 HG22 THR B 44 -10.755 -10.786 -5.674 1.00 0.00 H new ATOM 0 HG23 THR B 44 -9.302 -11.762 -5.992 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.157 -7.229 -5.675 1.00 0.00 N ATOM 1546 CA LEU B 45 -6.843 -6.043 -4.872 1.00 0.00 C ATOM 1547 C LEU B 45 -6.607 -4.762 -5.678 1.00 0.00 C ATOM 1548 O LEU B 45 -6.183 -4.805 -6.832 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.628 -6.371 -3.981 1.00 0.00 C ATOM 1550 CG LEU B 45 -5.933 -6.211 -2.494 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -7.016 -7.204 -2.056 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -4.662 -6.444 -1.666 1.00 0.00 C ATOM 0 H LEU B 45 -6.335 -7.733 -6.007 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.724 -5.819 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.305 -7.394 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.797 -5.719 -4.250 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.294 -5.196 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.220 -7.075 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -7.928 -7.022 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.671 -8.222 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.891 -6.327 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -4.289 -7.452 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -3.902 -5.718 -1.955 1.00 0.00 H new ATOM 1564 N SER B 46 -6.815 -3.612 -5.027 1.00 0.00 N ATOM 1565 CA SER B 46 -6.665 -2.278 -5.588 1.00 0.00 C ATOM 1566 C SER B 46 -6.034 -1.331 -4.547 1.00 0.00 C ATOM 1567 O SER B 46 -5.752 -1.704 -3.401 1.00 0.00 O ATOM 1568 CB SER B 46 -8.035 -1.800 -6.117 1.00 0.00 C ATOM 1569 OG SER B 46 -9.119 -2.183 -5.289 1.00 0.00 O ATOM 0 H SER B 46 -7.106 -3.593 -4.050 1.00 0.00 H new ATOM 0 HA SER B 46 -5.979 -2.286 -6.435 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.023 -0.714 -6.209 1.00 0.00 H new ATOM 0 HB3 SER B 46 -8.191 -2.203 -7.118 1.00 0.00 H new ATOM 0 HG SER B 46 -9.909 -1.649 -5.516 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.768 -0.083 -4.946 1.00 0.00 N ATOM 1576 CA PHE B 47 -5.207 0.943 -4.078 1.00 0.00 C ATOM 1577 C PHE B 47 -5.932 2.258 -4.328 1.00 0.00 C ATOM 1578 O PHE B 47 -6.476 2.491 -5.414 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.698 1.092 -4.321 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.926 1.669 -3.145 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.851 3.062 -2.944 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.234 0.811 -2.269 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -2.122 3.589 -1.865 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.466 1.341 -1.218 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.428 2.728 -1.000 1.00 0.00 C ATOM 0 H PHE B 47 -5.941 0.242 -5.897 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.344 0.652 -3.036 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.284 0.114 -4.567 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.544 1.732 -5.190 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -3.358 3.730 -3.625 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.294 -0.259 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.095 4.656 -1.701 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -0.903 0.680 -0.576 1.00 0.00 H new ATOM 0 HZ PHE B 47 -0.867 3.131 -0.170 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.905 3.117 -3.309 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.605 4.377 -3.254 1.00 0.00 C ATOM 1597 C VAL B 48 -5.659 5.406 -2.605 1.00 0.00 C ATOM 1598 O VAL B 48 -5.385 5.352 -1.409 1.00 0.00 O ATOM 1599 CB VAL B 48 -7.995 4.109 -2.621 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.559 5.202 -1.730 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -9.028 3.845 -3.728 1.00 0.00 C ATOM 0 H VAL B 48 -5.365 2.933 -2.464 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.850 4.835 -4.212 1.00 0.00 H new ATOM 0 HB VAL B 48 -7.820 3.249 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.533 4.895 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -7.881 5.376 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.668 6.121 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -10.003 3.657 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -9.091 4.715 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -8.723 2.975 -4.310 1.00 0.00 H new ATOM 1611 N CYS B 49 -5.064 6.282 -3.431 1.00 0.00 N ATOM 1612 CA CYS B 49 -4.010 7.232 -3.046 1.00 0.00 C ATOM 1613 C CYS B 49 -4.517 8.186 -1.955 1.00 0.00 C ATOM 1614 O CYS B 49 -5.685 8.571 -2.003 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.570 8.025 -4.290 1.00 0.00 C ATOM 1616 SG CYS B 49 -4.892 8.679 -5.360 1.00 0.00 S ATOM 0 H CYS B 49 -5.313 6.350 -4.418 1.00 0.00 H new ATOM 0 HA CYS B 49 -3.158 6.683 -2.644 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -2.956 8.862 -3.959 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -2.931 7.381 -4.895 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.666 8.653 -1.016 1.00 0.00 N ATOM 1622 CA PRO B 50 -4.124 9.412 0.150 1.00 0.00 C ATOM 1623 C PRO B 50 -4.865 10.711 -0.205 1.00 0.00 C ATOM 1624 O PRO B 50 -5.790 11.109 0.508 1.00 0.00 O ATOM 1625 CB PRO B 50 -2.880 9.668 1.007 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.709 9.464 0.046 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.234 8.398 -0.914 1.00 0.00 C ATOM 0 HA PRO B 50 -4.872 8.837 0.695 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -2.883 10.676 1.421 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.828 8.978 1.849 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.450 10.385 -0.476 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.812 9.131 0.568 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.750 8.471 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -2.038 7.395 -0.535 1.00 0.00 H new ATOM 1635 N TRP B 51 -4.505 11.344 -1.329 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.202 12.505 -1.865 1.00 0.00 C ATOM 1637 C TRP B 51 -6.666 12.152 -2.140 1.00 0.00 C ATOM 1638 O TRP B 51 -7.577 12.762 -1.571 1.00 0.00 O ATOM 1639 CB TRP B 51 -4.493 13.005 -3.135 1.00 0.00 C ATOM 1640 CG TRP B 51 -5.321 13.899 -4.008 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -5.746 15.142 -3.687 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -5.894 13.609 -5.322 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -6.553 15.631 -4.696 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -6.684 14.725 -5.727 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -5.832 12.511 -6.210 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -7.385 14.748 -6.943 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -6.521 12.528 -7.437 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -7.299 13.641 -7.803 1.00 0.00 C ATOM 0 H TRP B 51 -3.708 11.054 -1.895 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.183 13.312 -1.133 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -3.590 13.541 -2.843 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -4.176 12.142 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -5.493 15.672 -2.780 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -6.997 16.549 -4.680 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -5.246 11.644 -5.942 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -7.983 15.606 -7.214 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -6.452 11.680 -8.102 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -7.829 13.644 -8.744 1.00 0.00 H new ATOM 1659 N CYS B 52 -6.902 11.163 -3.007 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.254 10.778 -3.365 1.00 0.00 C ATOM 1661 C CYS B 52 -8.957 10.122 -2.184 1.00 0.00 C ATOM 1662 O CYS B 52 -10.171 10.239 -2.073 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.241 9.853 -4.578 1.00 0.00 C ATOM 1664 SG CYS B 52 -8.266 8.080 -4.246 1.00 0.00 S ATOM 0 H CYS B 52 -6.171 10.621 -3.468 1.00 0.00 H new ATOM 0 HA CYS B 52 -8.812 11.676 -3.629 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -9.103 10.095 -5.199 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.351 10.076 -5.167 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.204 9.458 -1.299 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.747 8.810 -0.126 1.00 0.00 C ATOM 1671 C ALA B 53 -9.335 9.833 0.844 1.00 0.00 C ATOM 1672 O ALA B 53 -10.304 9.525 1.541 1.00 0.00 O ATOM 1673 CB ALA B 53 -7.652 8.034 0.604 1.00 0.00 C ATOM 0 H ALA B 53 -7.193 9.362 -1.389 1.00 0.00 H new ATOM 0 HA ALA B 53 -9.533 8.133 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -8.074 7.551 1.485 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -7.237 7.277 -0.061 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.862 8.720 0.910 1.00 0.00 H new ATOM 1679 N THR B 54 -8.718 11.020 0.894 1.00 0.00 N ATOM 1680 CA THR B 54 -9.172 12.174 1.655 1.00 0.00 C ATOM 1681 C THR B 54 -10.389 12.817 0.974 1.00 0.00 C ATOM 1682 O THR B 54 -11.366 13.123 1.651 1.00 0.00 O ATOM 1683 CB THR B 54 -8.002 13.171 1.796 1.00 0.00 C ATOM 1684 OG1 THR B 54 -6.870 12.526 2.349 1.00 0.00 O ATOM 1685 CG2 THR B 54 -8.345 14.360 2.698 1.00 0.00 C ATOM 0 H THR B 54 -7.855 11.203 0.382 1.00 0.00 H new ATOM 0 HA THR B 54 -9.488 11.865 2.651 1.00 0.00 H new ATOM 0 HB THR B 54 -7.796 13.539 0.791 1.00 0.00 H new ATOM 0 HG1 THR B 54 -6.247 12.287 1.632 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.486 15.028 2.761 1.00 0.00 H new ATOM 0 HG22 THR B 54 -9.195 14.900 2.281 1.00 0.00 H new ATOM 0 HG23 THR B 54 -8.598 13.999 3.695 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.330 13.035 -0.349 1.00 0.00 N ATOM 1694 CA ASN B 55 -11.388 13.728 -1.099 1.00 0.00 C ATOM 1695 C ASN B 55 -12.662 12.883 -1.203 1.00 0.00 C ATOM 1696 O ASN B 55 -13.754 13.401 -0.993 1.00 0.00 O ATOM 1697 CB ASN B 55 -10.894 14.114 -2.504 1.00 0.00 C ATOM 1698 CG ASN B 55 -10.002 15.347 -2.472 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -10.437 16.450 -2.772 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -8.741 15.201 -2.097 1.00 0.00 N ATOM 0 H ASN B 55 -9.546 12.735 -0.929 1.00 0.00 H new ATOM 0 HA ASN B 55 -11.634 14.634 -0.546 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -10.344 13.279 -2.938 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -11.751 14.302 -3.151 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -8.124 16.012 -2.056 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -8.387 14.277 -1.848 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.480 11.597 -1.519 1.00 0.00 N ATOM 1708 CA GLN B 56 -13.446 10.502 -1.581 1.00 0.00 C ATOM 1709 C GLN B 56 -14.818 10.908 -2.136 1.00 0.00 C ATOM 1710 O GLN B 56 -15.808 10.938 -1.367 1.00 0.00 O ATOM 1711 CB GLN B 56 -13.481 9.817 -0.210 1.00 0.00 C ATOM 1712 CG GLN B 56 -14.362 8.556 -0.179 1.00 0.00 C ATOM 1713 CD GLN B 56 -15.360 8.638 0.970 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -15.200 7.962 1.988 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -16.353 9.503 0.839 1.00 0.00 N ATOM 0 H GLN B 56 -11.548 11.264 -1.764 1.00 0.00 H new ATOM 0 HA GLN B 56 -13.117 9.773 -2.321 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -12.465 9.549 0.080 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -13.848 10.526 0.533 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -14.893 8.452 -1.125 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -13.737 7.670 -0.065 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -16.449 10.043 -0.021 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -17.022 9.630 1.598 1.00 0.00 H new TER 1724 GLN B 56 HETATM 1725 ZN ZN A 57 7.181 7.671 5.110 1.00 0.00 ZN HETATM 1726 ZN ZN B 57 -6.892 7.500 -6.225 1.00 0.00 ZN