USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.57) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.0666 K(o=-0.067,f=-0.62!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot -89:sc= 0.0306 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.0542 (180deg=-0.224) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0321 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 170:sc= -0.108 USER MOD Single : A 7 LYS NZ :NH3+ -111:sc= 0.26 (180deg=-0.213) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.749 X(o=-0.75,f=-0.44) USER MOD Single : A 29 GLN : amide:sc= -0.379 K(o=-0.38,f=-1.6) USER MOD Single : A 35 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.7!) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.0379 (180deg=-0.328) USER MOD Single : A 43 HIS : no HE2:sc= -1.31 X(o=-1.3,f=-1.7) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -158:sc= 0 (180deg=-0.0927) USER MOD Single : C 1 MET N :NH3+ 135:sc= 0.0115 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.07) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.906 K(o=-0.91,f=-0.22) USER MOD Single : C 29 GLN : amide:sc= -0.479 K(o=-0.48,f=-1.3) USER MOD Single : C 35 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.7!) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -0.85 K(o=-0.85,f=-1.9) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.155 10.204 -2.109 1.00 0.00 N ATOM 2 CA MET A 1 6.682 10.132 -2.198 1.00 0.00 C ATOM 3 C MET A 1 6.264 9.740 -3.605 1.00 0.00 C ATOM 4 O MET A 1 6.870 10.190 -4.567 1.00 0.00 O ATOM 5 CB MET A 1 6.062 11.492 -1.846 1.00 0.00 C ATOM 6 CG MET A 1 4.530 11.468 -1.914 1.00 0.00 C ATOM 7 SD MET A 1 3.733 10.477 -0.627 1.00 0.00 S ATOM 8 CE MET A 1 2.029 10.745 -1.164 1.00 0.00 C ATOM 0 H1 MET A 1 8.426 10.947 -1.434 1.00 0.00 H new ATOM 0 H2 MET A 1 8.528 9.289 -1.785 1.00 0.00 H new ATOM 0 H3 MET A 1 8.549 10.426 -3.046 1.00 0.00 H new ATOM 0 HA MET A 1 6.329 9.381 -1.491 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.374 11.783 -0.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.442 12.250 -2.531 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.161 12.491 -1.847 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.229 11.084 -2.889 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.345 10.350 -0.413 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.851 11.813 -1.291 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.862 10.234 -2.112 1.00 0.00 H new ATOM 20 N LEU A 2 5.228 8.908 -3.734 1.00 0.00 N ATOM 21 CA LEU A 2 4.639 8.583 -5.021 1.00 0.00 C ATOM 22 C LEU A 2 3.120 8.622 -4.902 1.00 0.00 C ATOM 23 O LEU A 2 2.569 8.453 -3.816 1.00 0.00 O ATOM 24 CB LEU A 2 5.104 7.190 -5.455 1.00 0.00 C ATOM 25 CG LEU A 2 6.215 7.245 -6.497 1.00 0.00 C ATOM 26 CD1 LEU A 2 6.716 5.831 -6.786 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.717 7.852 -7.806 1.00 0.00 C ATOM 0 H LEU A 2 4.779 8.444 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 2 4.955 9.309 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.455 6.639 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.257 6.637 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 2 7.016 7.866 -6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.510 5.872 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.102 5.387 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.894 5.224 -7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.533 7.877 -8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.901 7.246 -8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.361 8.866 -7.625 1.00 0.00 H new ATOM 39 N ILE A 3 2.447 8.833 -6.031 1.00 0.00 N ATOM 40 CA ILE A 3 0.998 8.812 -6.121 1.00 0.00 C ATOM 41 C ILE A 3 0.633 8.076 -7.405 1.00 0.00 C ATOM 42 O ILE A 3 1.358 8.143 -8.394 1.00 0.00 O ATOM 43 CB ILE A 3 0.415 10.235 -6.104 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.525 10.895 -4.724 1.00 0.00 C ATOM 45 CG2 ILE A 3 -1.072 10.189 -6.456 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.793 11.729 -4.578 1.00 0.00 C ATOM 0 H ILE A 3 2.906 9.026 -6.921 1.00 0.00 H new ATOM 0 HA ILE A 3 0.572 8.300 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 3 0.989 10.813 -6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.345 11.530 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.510 10.124 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.480 11.199 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.197 9.760 -7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.600 9.575 -5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.823 12.175 -3.584 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.666 11.091 -4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.798 12.518 -5.330 1.00 0.00 H new ATOM 58 N LEU A 4 -0.500 7.373 -7.379 1.00 0.00 N ATOM 59 CA LEU A 4 -0.973 6.564 -8.490 1.00 0.00 C ATOM 60 C LEU A 4 -2.492 6.658 -8.578 1.00 0.00 C ATOM 61 O LEU A 4 -3.138 7.155 -7.653 1.00 0.00 O ATOM 62 CB LEU A 4 -0.605 5.099 -8.244 1.00 0.00 C ATOM 63 CG LEU A 4 0.900 4.822 -8.163 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.082 3.356 -7.782 1.00 0.00 C ATOM 65 CD2 LEU A 4 1.599 5.062 -9.500 1.00 0.00 C ATOM 0 H LEU A 4 -1.121 7.353 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.516 6.924 -9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.071 4.773 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.030 4.493 -9.044 1.00 0.00 H new ATOM 0 HG LEU A 4 1.339 5.497 -7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.146 3.127 -7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.610 3.169 -6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.621 2.723 -8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.664 4.854 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.172 4.404 -10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.460 6.100 -9.802 1.00 0.00 H new ATOM 77 N THR A 5 -3.061 6.184 -9.688 1.00 0.00 N ATOM 78 CA THR A 5 -4.507 6.067 -9.815 1.00 0.00 C ATOM 79 C THR A 5 -4.821 4.717 -10.440 1.00 0.00 C ATOM 80 O THR A 5 -4.805 4.559 -11.659 1.00 0.00 O ATOM 81 CB THR A 5 -5.134 7.201 -10.626 1.00 0.00 C ATOM 82 OG1 THR A 5 -4.449 8.410 -10.410 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.579 7.337 -10.169 1.00 0.00 C ATOM 0 H THR A 5 -2.539 5.876 -10.509 1.00 0.00 H new ATOM 0 HA THR A 5 -4.945 6.144 -8.820 1.00 0.00 H new ATOM 0 HB THR A 5 -5.077 6.977 -11.691 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.759 9.081 -11.053 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.063 8.139 -10.726 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.107 6.401 -10.349 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.604 7.569 -9.104 1.00 0.00 H new ATOM 91 N ARG A 6 -5.109 3.743 -9.580 1.00 0.00 N ATOM 92 CA ARG A 6 -5.384 2.376 -9.969 1.00 0.00 C ATOM 93 C ARG A 6 -6.864 2.088 -9.801 1.00 0.00 C ATOM 94 O ARG A 6 -7.601 2.969 -9.380 1.00 0.00 O ATOM 95 CB ARG A 6 -4.562 1.464 -9.073 1.00 0.00 C ATOM 96 CG ARG A 6 -3.925 0.355 -9.907 1.00 0.00 C ATOM 97 CD ARG A 6 -3.008 -0.428 -8.977 1.00 0.00 C ATOM 98 NE ARG A 6 -3.753 -0.981 -7.838 1.00 0.00 N ATOM 99 CZ ARG A 6 -3.439 -0.731 -6.560 1.00 0.00 C ATOM 100 NH1 ARG A 6 -2.596 0.244 -6.235 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.960 -1.453 -5.578 1.00 0.00 N ATOM 0 H ARG A 6 -5.157 3.893 -8.572 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.120 2.210 -11.013 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.788 2.040 -8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.196 1.031 -8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.689 -0.295 -10.333 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.362 0.774 -10.741 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.530 -1.237 -9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.213 0.223 -8.613 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.551 -1.587 -8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.175 0.818 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.370 0.418 -5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.609 -2.210 -5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.712 -1.251 -4.609 1.00 0.00 H new ATOM 115 N LYS A 7 -7.316 0.873 -10.121 1.00 0.00 N ATOM 116 CA LYS A 7 -8.702 0.511 -9.870 1.00 0.00 C ATOM 117 C LYS A 7 -8.817 -0.889 -9.301 1.00 0.00 C ATOM 118 O LYS A 7 -7.836 -1.629 -9.256 1.00 0.00 O ATOM 119 CB LYS A 7 -9.557 0.641 -11.130 1.00 0.00 C ATOM 120 CG LYS A 7 -9.032 -0.287 -12.219 1.00 0.00 C ATOM 121 CD LYS A 7 -10.216 -0.711 -13.093 1.00 0.00 C ATOM 122 CE LYS A 7 -9.804 -1.734 -14.146 1.00 0.00 C ATOM 123 NZ LYS A 7 -9.350 -2.997 -13.532 1.00 0.00 N ATOM 0 H LYS A 7 -6.750 0.139 -10.547 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.081 1.214 -9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.594 0.396 -10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.544 1.672 -11.483 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.277 0.220 -12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.553 -1.161 -11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.000 -1.132 -12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.638 0.166 -13.584 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.646 -1.934 -14.809 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.005 -1.321 -14.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.327 -3.108 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.550 -2.978 -12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.853 -3.796 -13.969 1.00 0.00 H new ATOM 137 N VAL A 8 -10.027 -1.246 -8.870 1.00 0.00 N ATOM 138 CA VAL A 8 -10.247 -2.501 -8.174 1.00 0.00 C ATOM 139 C VAL A 8 -9.790 -3.700 -9.000 1.00 0.00 C ATOM 140 O VAL A 8 -10.044 -3.778 -10.202 1.00 0.00 O ATOM 141 CB VAL A 8 -11.699 -2.629 -7.710 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.095 -1.372 -6.930 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.712 -2.823 -8.833 1.00 0.00 C ATOM 0 H VAL A 8 -10.866 -0.679 -8.994 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.625 -2.495 -7.279 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.729 -3.529 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.129 -1.461 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.444 -1.262 -6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.994 -0.498 -7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.713 -2.904 -8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.672 -1.970 -9.510 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.476 -3.734 -9.383 1.00 0.00 H new ATOM 153 N GLY A 9 -9.108 -4.630 -8.331 1.00 0.00 N ATOM 154 CA GLY A 9 -8.626 -5.865 -8.936 1.00 0.00 C ATOM 155 C GLY A 9 -7.170 -5.776 -9.403 1.00 0.00 C ATOM 156 O GLY A 9 -6.607 -6.784 -9.823 1.00 0.00 O ATOM 0 H GLY A 9 -8.874 -4.543 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.721 -6.677 -8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.259 -6.118 -9.786 1.00 0.00 H new ATOM 160 N GLU A 10 -6.556 -4.590 -9.340 1.00 0.00 N ATOM 161 CA GLU A 10 -5.178 -4.393 -9.779 1.00 0.00 C ATOM 162 C GLU A 10 -4.194 -4.520 -8.613 1.00 0.00 C ATOM 163 O GLU A 10 -4.604 -4.744 -7.472 1.00 0.00 O ATOM 164 CB GLU A 10 -5.055 -3.008 -10.421 1.00 0.00 C ATOM 165 CG GLU A 10 -5.983 -2.845 -11.628 1.00 0.00 C ATOM 166 CD GLU A 10 -5.690 -3.865 -12.728 1.00 0.00 C ATOM 167 OE1 GLU A 10 -4.493 -4.134 -12.975 1.00 0.00 O ATOM 168 OE2 GLU A 10 -6.675 -4.369 -13.313 1.00 0.00 O ATOM 0 H GLU A 10 -7.002 -3.745 -8.984 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.929 -5.167 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.289 -2.244 -9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.024 -2.845 -10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.018 -2.951 -11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.877 -1.838 -12.032 1.00 0.00 H new ATOM 175 N SER A 11 -2.891 -4.374 -8.895 1.00 0.00 N ATOM 176 CA SER A 11 -1.848 -4.511 -7.882 1.00 0.00 C ATOM 177 C SER A 11 -0.668 -3.574 -8.146 1.00 0.00 C ATOM 178 O SER A 11 -0.545 -3.008 -9.231 1.00 0.00 O ATOM 179 CB SER A 11 -1.344 -5.955 -7.860 1.00 0.00 C ATOM 180 OG SER A 11 -2.386 -6.839 -7.489 1.00 0.00 O ATOM 0 H SER A 11 -2.538 -4.159 -9.827 1.00 0.00 H new ATOM 0 HA SER A 11 -2.285 -4.243 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.961 -6.228 -8.843 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.515 -6.046 -7.158 1.00 0.00 H new ATOM 0 HG SER A 11 -2.398 -6.940 -6.514 1.00 0.00 H new ATOM 186 N ILE A 12 0.192 -3.424 -7.132 1.00 0.00 N ATOM 187 CA ILE A 12 1.398 -2.594 -7.145 1.00 0.00 C ATOM 188 C ILE A 12 2.473 -3.320 -6.327 1.00 0.00 C ATOM 189 O ILE A 12 2.167 -4.293 -5.642 1.00 0.00 O ATOM 190 CB ILE A 12 1.067 -1.209 -6.555 1.00 0.00 C ATOM 191 CG1 ILE A 12 0.039 -0.455 -7.406 1.00 0.00 C ATOM 192 CG2 ILE A 12 2.292 -0.303 -6.401 1.00 0.00 C ATOM 193 CD1 ILE A 12 0.529 -0.057 -8.801 1.00 0.00 C ATOM 0 H ILE A 12 0.058 -3.901 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 12 1.768 -2.439 -8.159 1.00 0.00 H new ATOM 0 HB ILE A 12 0.661 -1.427 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.850 -1.077 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.264 0.446 -6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.986 0.655 -5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.014 -0.777 -5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.750 -0.141 -7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.265 0.471 -9.329 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.399 0.594 -8.709 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.803 -0.952 -9.359 1.00 0.00 H new ATOM 205 N ASN A 13 3.732 -2.865 -6.390 1.00 0.00 N ATOM 206 CA ASN A 13 4.831 -3.540 -5.709 1.00 0.00 C ATOM 207 C ASN A 13 5.763 -2.556 -5.007 1.00 0.00 C ATOM 208 O ASN A 13 5.879 -1.395 -5.404 1.00 0.00 O ATOM 209 CB ASN A 13 5.621 -4.358 -6.732 1.00 0.00 C ATOM 210 CG ASN A 13 4.864 -5.612 -7.131 1.00 0.00 C ATOM 211 OD1 ASN A 13 4.193 -5.647 -8.160 1.00 0.00 O ATOM 212 ND2 ASN A 13 4.969 -6.655 -6.314 1.00 0.00 N ATOM 0 H ASN A 13 4.009 -2.031 -6.908 1.00 0.00 H new ATOM 0 HA ASN A 13 4.407 -4.189 -4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.816 -3.750 -7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.590 -4.632 -6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.482 -7.525 -6.532 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.536 -6.586 -5.469 1.00 0.00 H new ATOM 219 N ILE A 14 6.426 -3.047 -3.955 1.00 0.00 N ATOM 220 CA ILE A 14 7.389 -2.285 -3.167 1.00 0.00 C ATOM 221 C ILE A 14 8.562 -3.198 -2.810 1.00 0.00 C ATOM 222 O ILE A 14 8.392 -4.413 -2.674 1.00 0.00 O ATOM 223 CB ILE A 14 6.726 -1.727 -1.894 1.00 0.00 C ATOM 224 CG1 ILE A 14 5.481 -0.902 -2.264 1.00 0.00 C ATOM 225 CG2 ILE A 14 7.724 -0.860 -1.113 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.763 -0.337 -1.034 1.00 0.00 C ATOM 0 H ILE A 14 6.303 -4.004 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 14 7.751 -1.438 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 14 6.419 -2.561 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.775 -0.081 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.790 -1.527 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.243 -0.471 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.587 -1.463 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.051 -0.029 -1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.892 0.236 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.442 -1.157 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.443 0.312 -0.482 1.00 0.00 H new ATOM 238 N GLY A 15 9.755 -2.620 -2.659 1.00 0.00 N ATOM 239 CA GLY A 15 10.960 -3.373 -2.353 1.00 0.00 C ATOM 240 C GLY A 15 11.146 -4.505 -3.354 1.00 0.00 C ATOM 241 O GLY A 15 10.907 -4.335 -4.547 1.00 0.00 O ATOM 0 H GLY A 15 9.907 -1.615 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.826 -2.711 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.897 -3.778 -1.343 1.00 0.00 H new ATOM 245 N ASP A 16 11.580 -5.660 -2.854 1.00 0.00 N ATOM 246 CA ASP A 16 11.744 -6.863 -3.656 1.00 0.00 C ATOM 247 C ASP A 16 11.055 -8.054 -2.979 1.00 0.00 C ATOM 248 O ASP A 16 11.238 -9.198 -3.389 1.00 0.00 O ATOM 249 CB ASP A 16 13.228 -7.119 -3.937 1.00 0.00 C ATOM 250 CG ASP A 16 14.031 -7.443 -2.676 1.00 0.00 C ATOM 251 OD1 ASP A 16 14.061 -6.588 -1.764 1.00 0.00 O ATOM 252 OD2 ASP A 16 14.614 -8.550 -2.638 1.00 0.00 O ATOM 0 H ASP A 16 11.829 -5.785 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 16 11.259 -6.723 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.321 -7.945 -4.642 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.657 -6.240 -4.418 1.00 0.00 H new ATOM 257 N ASP A 17 10.262 -7.780 -1.937 1.00 0.00 N ATOM 258 CA ASP A 17 9.542 -8.793 -1.175 1.00 0.00 C ATOM 259 C ASP A 17 8.147 -8.310 -0.757 1.00 0.00 C ATOM 260 O ASP A 17 7.517 -8.955 0.081 1.00 0.00 O ATOM 261 CB ASP A 17 10.344 -9.179 0.074 1.00 0.00 C ATOM 262 CG ASP A 17 11.650 -9.890 -0.260 1.00 0.00 C ATOM 263 OD1 ASP A 17 11.571 -11.037 -0.756 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.717 -9.285 -0.020 1.00 0.00 O ATOM 0 H ASP A 17 10.103 -6.831 -1.598 1.00 0.00 H new ATOM 0 HA ASP A 17 9.419 -9.662 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.562 -8.281 0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.735 -9.825 0.706 1.00 0.00 H new ATOM 269 N ILE A 18 7.650 -7.199 -1.317 1.00 0.00 N ATOM 270 CA ILE A 18 6.341 -6.687 -0.926 1.00 0.00 C ATOM 271 C ILE A 18 5.454 -6.455 -2.147 1.00 0.00 C ATOM 272 O ILE A 18 5.931 -6.097 -3.225 1.00 0.00 O ATOM 273 CB ILE A 18 6.481 -5.398 -0.097 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.413 -5.572 1.109 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.107 -4.961 0.423 1.00 0.00 C ATOM 276 CD1 ILE A 18 8.848 -5.191 0.755 1.00 0.00 C ATOM 0 H ILE A 18 8.129 -6.649 -2.030 1.00 0.00 H new ATOM 0 HA ILE A 18 5.860 -7.440 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 18 6.910 -4.646 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.063 -4.953 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.382 -6.607 1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.213 -4.048 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.441 -4.776 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.688 -5.748 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.486 -5.324 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.204 -5.828 -0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.880 -4.149 0.438 1.00 0.00 H new ATOM 288 N THR A 19 4.149 -6.662 -1.961 1.00 0.00 N ATOM 289 CA THR A 19 3.133 -6.458 -2.982 1.00 0.00 C ATOM 290 C THR A 19 1.896 -5.848 -2.326 1.00 0.00 C ATOM 291 O THR A 19 1.675 -6.025 -1.128 1.00 0.00 O ATOM 292 CB THR A 19 2.792 -7.800 -3.643 1.00 0.00 C ATOM 293 OG1 THR A 19 3.962 -8.425 -4.125 1.00 0.00 O ATOM 294 CG2 THR A 19 1.833 -7.631 -4.821 1.00 0.00 C ATOM 0 H THR A 19 3.765 -6.984 -1.072 1.00 0.00 H new ATOM 0 HA THR A 19 3.500 -5.781 -3.753 1.00 0.00 H new ATOM 0 HB THR A 19 2.315 -8.410 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.728 -9.280 -4.542 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.619 -8.606 -5.259 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.905 -7.178 -4.472 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.290 -6.988 -5.573 1.00 0.00 H new ATOM 302 N ILE A 20 1.090 -5.133 -3.114 1.00 0.00 N ATOM 303 CA ILE A 20 -0.124 -4.470 -2.654 1.00 0.00 C ATOM 304 C ILE A 20 -1.237 -4.762 -3.661 1.00 0.00 C ATOM 305 O ILE A 20 -0.972 -4.865 -4.857 1.00 0.00 O ATOM 306 CB ILE A 20 0.122 -2.957 -2.564 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.264 -2.606 -1.599 1.00 0.00 C ATOM 308 CG2 ILE A 20 -1.158 -2.228 -2.142 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.938 -2.918 -0.140 1.00 0.00 C ATOM 0 H ILE A 20 1.270 -4.998 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.410 -4.836 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 20 0.419 -2.626 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.159 -3.156 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.497 -1.545 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.964 -1.157 -2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.942 -2.415 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.479 -2.592 -1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.786 -2.647 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.062 -2.347 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.733 -3.983 -0.033 1.00 0.00 H new ATOM 321 N THR A 21 -2.474 -4.895 -3.180 1.00 0.00 N ATOM 322 CA THR A 21 -3.616 -5.185 -4.042 1.00 0.00 C ATOM 323 C THR A 21 -4.838 -4.389 -3.589 1.00 0.00 C ATOM 324 O THR A 21 -4.993 -4.104 -2.402 1.00 0.00 O ATOM 325 CB THR A 21 -3.909 -6.689 -4.000 1.00 0.00 C ATOM 326 OG1 THR A 21 -2.731 -7.414 -4.282 1.00 0.00 O ATOM 327 CG2 THR A 21 -4.965 -7.094 -5.027 1.00 0.00 C ATOM 0 H THR A 21 -2.709 -4.805 -2.192 1.00 0.00 H new ATOM 0 HA THR A 21 -3.382 -4.893 -5.066 1.00 0.00 H new ATOM 0 HB THR A 21 -4.281 -6.914 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.923 -8.375 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.142 -8.168 -4.963 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.894 -6.560 -4.824 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.614 -6.843 -6.028 1.00 0.00 H new ATOM 335 N ILE A 22 -5.702 -4.030 -4.541 1.00 0.00 N ATOM 336 CA ILE A 22 -6.935 -3.291 -4.285 1.00 0.00 C ATOM 337 C ILE A 22 -8.113 -4.243 -4.477 1.00 0.00 C ATOM 338 O ILE A 22 -8.595 -4.432 -5.593 1.00 0.00 O ATOM 339 CB ILE A 22 -6.993 -2.032 -5.170 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.347 -1.324 -5.141 1.00 0.00 C ATOM 341 CG2 ILE A 22 -6.679 -2.335 -6.635 1.00 0.00 C ATOM 342 CD1 ILE A 22 -8.747 -0.938 -3.732 1.00 0.00 C ATOM 0 H ILE A 22 -5.560 -4.249 -5.527 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.976 -2.925 -3.259 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.234 -1.379 -4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.304 -0.431 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.108 -1.976 -5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.733 -1.415 -7.217 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.676 -2.755 -6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.404 -3.052 -7.022 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.715 -0.437 -3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.815 -1.834 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.999 -0.265 -3.313 1.00 0.00 H new ATOM 354 N LEU A 23 -8.585 -4.853 -3.386 1.00 0.00 N ATOM 355 CA LEU A 23 -9.610 -5.886 -3.466 1.00 0.00 C ATOM 356 C LEU A 23 -10.946 -5.328 -3.961 1.00 0.00 C ATOM 357 O LEU A 23 -11.729 -6.062 -4.566 1.00 0.00 O ATOM 358 CB LEU A 23 -9.800 -6.556 -2.102 1.00 0.00 C ATOM 359 CG LEU A 23 -8.505 -7.021 -1.429 1.00 0.00 C ATOM 360 CD1 LEU A 23 -8.855 -7.938 -0.259 1.00 0.00 C ATOM 361 CD2 LEU A 23 -7.601 -7.803 -2.374 1.00 0.00 C ATOM 0 H LEU A 23 -8.270 -4.646 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.268 -6.626 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.308 -5.857 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.459 -7.416 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.973 -6.126 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.939 -8.274 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.468 -7.393 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.409 -8.802 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.698 -8.108 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.128 -8.688 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.330 -7.174 -3.222 1.00 0.00 H new ATOM 373 N GLY A 24 -11.222 -4.041 -3.717 1.00 0.00 N ATOM 374 CA GLY A 24 -12.443 -3.406 -4.197 1.00 0.00 C ATOM 375 C GLY A 24 -12.829 -2.194 -3.357 1.00 0.00 C ATOM 376 O GLY A 24 -12.052 -1.744 -2.517 1.00 0.00 O ATOM 0 H GLY A 24 -10.609 -3.421 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.308 -3.099 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.257 -4.130 -4.183 1.00 0.00 H new ATOM 380 N VAL A 25 -14.037 -1.663 -3.580 1.00 0.00 N ATOM 381 CA VAL A 25 -14.548 -0.544 -2.797 1.00 0.00 C ATOM 382 C VAL A 25 -15.973 -0.812 -2.316 1.00 0.00 C ATOM 383 O VAL A 25 -16.668 -1.680 -2.843 1.00 0.00 O ATOM 384 CB VAL A 25 -14.505 0.765 -3.602 1.00 0.00 C ATOM 385 CG1 VAL A 25 -13.130 0.996 -4.227 1.00 0.00 C ATOM 386 CG2 VAL A 25 -15.573 0.785 -4.696 1.00 0.00 C ATOM 0 H VAL A 25 -14.677 -1.996 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.901 -0.437 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.708 1.571 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.138 1.930 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.377 1.051 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.893 0.171 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.514 1.725 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.408 -0.047 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.560 0.691 -4.243 1.00 0.00 H new ATOM 396 N SER A 26 -16.393 -0.050 -1.305 1.00 0.00 N ATOM 397 CA SER A 26 -17.736 -0.100 -0.748 1.00 0.00 C ATOM 398 C SER A 26 -18.057 1.285 -0.196 1.00 0.00 C ATOM 399 O SER A 26 -17.781 1.579 0.966 1.00 0.00 O ATOM 400 CB SER A 26 -17.819 -1.170 0.341 1.00 0.00 C ATOM 401 OG SER A 26 -19.143 -1.247 0.827 1.00 0.00 O ATOM 0 H SER A 26 -15.792 0.633 -0.844 1.00 0.00 H new ATOM 0 HA SER A 26 -18.465 -0.369 -1.513 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.511 -2.136 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.135 -0.929 1.155 1.00 0.00 H new ATOM 0 HG SER A 26 -19.196 -1.934 1.524 1.00 0.00 H new ATOM 407 N GLY A 27 -18.641 2.149 -1.029 1.00 0.00 N ATOM 408 CA GLY A 27 -18.846 3.532 -0.633 1.00 0.00 C ATOM 409 C GLY A 27 -17.488 4.220 -0.547 1.00 0.00 C ATOM 410 O GLY A 27 -16.654 4.045 -1.433 1.00 0.00 O ATOM 0 H GLY A 27 -18.973 1.916 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.483 4.042 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.355 3.578 0.330 1.00 0.00 H new ATOM 414 N GLN A 28 -17.252 5.000 0.513 1.00 0.00 N ATOM 415 CA GLN A 28 -15.941 5.619 0.687 1.00 0.00 C ATOM 416 C GLN A 28 -14.930 4.587 1.159 1.00 0.00 C ATOM 417 O GLN A 28 -13.728 4.822 1.060 1.00 0.00 O ATOM 418 CB GLN A 28 -15.982 6.745 1.720 1.00 0.00 C ATOM 419 CG GLN A 28 -16.880 7.905 1.293 1.00 0.00 C ATOM 420 CD GLN A 28 -16.675 8.277 -0.172 1.00 0.00 C ATOM 421 OE1 GLN A 28 -17.603 8.205 -0.971 1.00 0.00 O ATOM 422 NE2 GLN A 28 -15.460 8.677 -0.541 1.00 0.00 N ATOM 0 H GLN A 28 -17.932 5.212 1.243 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.651 6.028 -0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.337 6.347 2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.971 7.116 1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.923 7.635 1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.674 8.773 1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.709 8.726 0.147 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.281 8.934 -1.512 1.00 0.00 H new ATOM 431 N GLN A 29 -15.405 3.448 1.673 1.00 0.00 N ATOM 432 CA GLN A 29 -14.501 2.413 2.118 1.00 0.00 C ATOM 433 C GLN A 29 -13.827 1.792 0.898 1.00 0.00 C ATOM 434 O GLN A 29 -14.404 1.745 -0.186 1.00 0.00 O ATOM 435 CB GLN A 29 -15.246 1.356 2.935 1.00 0.00 C ATOM 436 CG GLN A 29 -14.557 1.109 4.281 1.00 0.00 C ATOM 437 CD GLN A 29 -14.747 2.260 5.261 1.00 0.00 C ATOM 438 OE1 GLN A 29 -13.778 2.806 5.779 1.00 0.00 O ATOM 439 NE2 GLN A 29 -15.992 2.643 5.526 1.00 0.00 N ATOM 0 H GLN A 29 -16.396 3.232 1.785 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.740 2.845 2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.273 1.680 3.103 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.294 0.424 2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.950 0.193 4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.491 0.951 4.115 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.777 2.169 5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.162 3.411 6.176 1.00 0.00 H new ATOM 448 N VAL A 30 -12.601 1.318 1.090 1.00 0.00 N ATOM 449 CA VAL A 30 -11.773 0.729 0.063 1.00 0.00 C ATOM 450 C VAL A 30 -11.121 -0.485 0.703 1.00 0.00 C ATOM 451 O VAL A 30 -10.386 -0.359 1.683 1.00 0.00 O ATOM 452 CB VAL A 30 -10.737 1.756 -0.407 1.00 0.00 C ATOM 453 CG1 VAL A 30 -9.838 1.171 -1.491 1.00 0.00 C ATOM 454 CG2 VAL A 30 -11.424 2.987 -0.991 1.00 0.00 C ATOM 0 H VAL A 30 -12.146 1.338 2.003 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.341 0.431 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.143 2.030 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.113 1.921 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.313 0.301 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.445 0.872 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.670 3.703 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.038 2.692 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.055 3.447 -0.230 1.00 0.00 H new ATOM 464 N ARG A 31 -11.394 -1.659 0.142 1.00 0.00 N ATOM 465 CA ARG A 31 -10.863 -2.910 0.651 1.00 0.00 C ATOM 466 C ARG A 31 -9.514 -3.143 -0.006 1.00 0.00 C ATOM 467 O ARG A 31 -9.405 -3.092 -1.228 1.00 0.00 O ATOM 468 CB ARG A 31 -11.845 -4.027 0.317 1.00 0.00 C ATOM 469 CG ARG A 31 -11.505 -5.292 1.099 1.00 0.00 C ATOM 470 CD ARG A 31 -12.471 -6.395 0.678 1.00 0.00 C ATOM 471 NE ARG A 31 -12.300 -7.601 1.493 1.00 0.00 N ATOM 472 CZ ARG A 31 -12.672 -8.824 1.104 1.00 0.00 C ATOM 473 NH1 ARG A 31 -13.249 -9.016 -0.081 1.00 0.00 N ATOM 474 NH2 ARG A 31 -12.471 -9.871 1.893 1.00 0.00 N ATOM 0 H ARG A 31 -11.990 -1.765 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.732 -2.884 1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.860 -3.709 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.817 -4.235 -0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.476 -5.594 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.584 -5.108 2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.496 -6.036 0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.311 -6.639 -0.372 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.871 -7.501 2.413 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.412 -8.224 -0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.528 -9.955 -0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.030 -9.746 2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.758 -10.801 1.589 1.00 0.00 H new ATOM 488 N ILE A 32 -8.484 -3.395 0.800 1.00 0.00 N ATOM 489 CA ILE A 32 -7.110 -3.420 0.321 1.00 0.00 C ATOM 490 C ILE A 32 -6.390 -4.630 0.898 1.00 0.00 C ATOM 491 O ILE A 32 -6.772 -5.136 1.950 1.00 0.00 O ATOM 492 CB ILE A 32 -6.392 -2.119 0.728 1.00 0.00 C ATOM 493 CG1 ILE A 32 -7.316 -0.909 0.549 1.00 0.00 C ATOM 494 CG2 ILE A 32 -5.112 -1.943 -0.096 1.00 0.00 C ATOM 495 CD1 ILE A 32 -6.607 0.423 0.777 1.00 0.00 C ATOM 0 H ILE A 32 -8.581 -3.586 1.797 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.104 -3.494 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.124 -2.188 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.734 -0.924 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.153 -0.992 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.613 -1.020 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.447 -2.788 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.365 -1.895 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.314 1.240 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.212 0.456 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.787 0.525 0.066 1.00 0.00 H new ATOM 507 N GLY A 33 -5.345 -5.097 0.211 1.00 0.00 N ATOM 508 CA GLY A 33 -4.560 -6.235 0.654 1.00 0.00 C ATOM 509 C GLY A 33 -3.075 -5.911 0.574 1.00 0.00 C ATOM 510 O GLY A 33 -2.654 -5.059 -0.212 1.00 0.00 O ATOM 0 H GLY A 33 -5.025 -4.691 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.828 -6.495 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.784 -7.104 0.035 1.00 0.00 H new ATOM 514 N ILE A 34 -2.286 -6.600 1.395 1.00 0.00 N ATOM 515 CA ILE A 34 -0.852 -6.381 1.514 1.00 0.00 C ATOM 516 C ILE A 34 -0.172 -7.731 1.659 1.00 0.00 C ATOM 517 O ILE A 34 -0.713 -8.634 2.291 1.00 0.00 O ATOM 518 CB ILE A 34 -0.566 -5.528 2.759 1.00 0.00 C ATOM 519 CG1 ILE A 34 -1.372 -4.221 2.732 1.00 0.00 C ATOM 520 CG2 ILE A 34 0.939 -5.244 2.858 1.00 0.00 C ATOM 521 CD1 ILE A 34 -1.262 -3.484 4.063 1.00 0.00 C ATOM 0 H ILE A 34 -2.634 -7.339 2.006 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.476 -5.863 0.632 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.878 -6.084 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.009 -3.582 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.418 -4.439 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.138 -4.639 3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.483 -6.186 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.267 -4.706 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.842 -2.562 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.649 -4.116 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.217 -3.246 4.262 1.00 0.00 H new ATOM 533 N ASN A 35 1.016 -7.869 1.076 1.00 0.00 N ATOM 534 CA ASN A 35 1.719 -9.134 1.088 1.00 0.00 C ATOM 535 C ASN A 35 3.212 -8.900 1.298 1.00 0.00 C ATOM 536 O ASN A 35 3.901 -8.417 0.401 1.00 0.00 O ATOM 537 CB ASN A 35 1.412 -9.846 -0.227 1.00 0.00 C ATOM 538 CG ASN A 35 1.831 -11.310 -0.206 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.856 -11.672 0.366 1.00 0.00 O ATOM 540 ND2 ASN A 35 1.031 -12.164 -0.838 1.00 0.00 N ATOM 0 H ASN A 35 1.506 -7.117 0.592 1.00 0.00 H new ATOM 0 HA ASN A 35 1.390 -9.766 1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.344 -9.780 -0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.925 -9.336 -1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.260 -13.158 -0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.188 -11.825 -1.302 1.00 0.00 H new ATOM 547 N ALA A 36 3.691 -9.241 2.493 1.00 0.00 N ATOM 548 CA ALA A 36 5.093 -9.122 2.868 1.00 0.00 C ATOM 549 C ALA A 36 5.442 -10.225 3.863 1.00 0.00 C ATOM 550 O ALA A 36 4.557 -10.769 4.529 1.00 0.00 O ATOM 551 CB ALA A 36 5.324 -7.757 3.521 1.00 0.00 C ATOM 0 H ALA A 36 3.103 -9.614 3.238 1.00 0.00 H new ATOM 0 HA ALA A 36 5.722 -9.216 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.372 -7.662 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.066 -6.968 2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.699 -7.668 4.409 1.00 0.00 H new ATOM 557 N PRO A 37 6.733 -10.561 3.972 1.00 0.00 N ATOM 558 CA PRO A 37 7.229 -11.519 4.936 1.00 0.00 C ATOM 559 C PRO A 37 7.021 -11.013 6.362 1.00 0.00 C ATOM 560 O PRO A 37 6.852 -9.815 6.588 1.00 0.00 O ATOM 561 CB PRO A 37 8.718 -11.663 4.623 1.00 0.00 C ATOM 562 CG PRO A 37 9.086 -10.365 3.913 1.00 0.00 C ATOM 563 CD PRO A 37 7.811 -10.033 3.154 1.00 0.00 C ATOM 0 HA PRO A 37 6.704 -12.472 4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.304 -11.798 5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.909 -12.530 3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.355 -9.579 4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.935 -10.496 3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.706 -8.957 3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.813 -10.488 2.163 1.00 0.00 H new ATOM 571 N LYS A 38 7.038 -11.931 7.334 1.00 0.00 N ATOM 572 CA LYS A 38 7.006 -11.566 8.747 1.00 0.00 C ATOM 573 C LYS A 38 8.343 -10.958 9.156 1.00 0.00 C ATOM 574 O LYS A 38 8.536 -10.566 10.306 1.00 0.00 O ATOM 575 CB LYS A 38 6.637 -12.791 9.592 1.00 0.00 C ATOM 576 CG LYS A 38 5.224 -13.268 9.242 1.00 0.00 C ATOM 577 CD LYS A 38 4.164 -12.254 9.676 1.00 0.00 C ATOM 578 CE LYS A 38 3.840 -12.371 11.167 1.00 0.00 C ATOM 579 NZ LYS A 38 3.147 -13.639 11.467 1.00 0.00 N ATOM 0 H LYS A 38 7.074 -12.936 7.163 1.00 0.00 H new ATOM 0 HA LYS A 38 6.240 -10.810 8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.354 -13.593 9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.693 -12.541 10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.151 -13.434 8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.032 -14.226 9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.516 -11.245 9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.255 -12.407 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.761 -12.311 11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.215 -11.532 11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.634 -13.550 12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.474 -13.856 10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.845 -14.407 11.541 1.00 0.00 H new ATOM 593 N ASP A 39 9.256 -10.887 8.191 1.00 0.00 N ATOM 594 CA ASP A 39 10.537 -10.215 8.313 1.00 0.00 C ATOM 595 C ASP A 39 10.343 -8.704 8.454 1.00 0.00 C ATOM 596 O ASP A 39 11.283 -7.981 8.782 1.00 0.00 O ATOM 597 CB ASP A 39 11.342 -10.508 7.048 1.00 0.00 C ATOM 598 CG ASP A 39 12.829 -10.217 7.243 1.00 0.00 C ATOM 599 OD1 ASP A 39 13.423 -10.831 8.160 1.00 0.00 O ATOM 600 OD2 ASP A 39 13.357 -9.381 6.478 1.00 0.00 O ATOM 0 H ASP A 39 9.115 -11.311 7.274 1.00 0.00 H new ATOM 0 HA ASP A 39 11.059 -10.575 9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.210 -11.553 6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.958 -9.905 6.225 1.00 0.00 H new ATOM 605 N VAL A 40 9.116 -8.226 8.206 1.00 0.00 N ATOM 606 CA VAL A 40 8.763 -6.816 8.271 1.00 0.00 C ATOM 607 C VAL A 40 7.400 -6.658 8.941 1.00 0.00 C ATOM 608 O VAL A 40 6.682 -7.641 9.135 1.00 0.00 O ATOM 609 CB VAL A 40 8.756 -6.199 6.867 1.00 0.00 C ATOM 610 CG1 VAL A 40 10.077 -6.464 6.145 1.00 0.00 C ATOM 611 CG2 VAL A 40 7.626 -6.745 6.001 1.00 0.00 C ATOM 0 H VAL A 40 8.332 -8.826 7.950 1.00 0.00 H new ATOM 0 HA VAL A 40 9.509 -6.288 8.865 1.00 0.00 H new ATOM 0 HB VAL A 40 8.610 -5.128 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.045 -6.016 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.897 -6.027 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.232 -7.539 6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.663 -6.278 5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.738 -7.824 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.668 -6.524 6.471 1.00 0.00 H new ATOM 621 N ALA A 41 7.033 -5.425 9.296 1.00 0.00 N ATOM 622 CA ALA A 41 5.788 -5.172 10.002 1.00 0.00 C ATOM 623 C ALA A 41 4.802 -4.427 9.111 1.00 0.00 C ATOM 624 O ALA A 41 5.202 -3.743 8.171 1.00 0.00 O ATOM 625 CB ALA A 41 6.086 -4.369 11.267 1.00 0.00 C ATOM 0 H ALA A 41 7.585 -4.589 9.103 1.00 0.00 H new ATOM 0 HA ALA A 41 5.331 -6.123 10.276 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.157 -4.175 11.802 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.762 -4.936 11.907 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.553 -3.422 10.995 1.00 0.00 H new ATOM 631 N VAL A 42 3.509 -4.557 9.406 1.00 0.00 N ATOM 632 CA VAL A 42 2.465 -3.840 8.688 1.00 0.00 C ATOM 633 C VAL A 42 1.227 -3.707 9.568 1.00 0.00 C ATOM 634 O VAL A 42 0.762 -4.692 10.141 1.00 0.00 O ATOM 635 CB VAL A 42 2.140 -4.557 7.365 1.00 0.00 C ATOM 636 CG1 VAL A 42 2.200 -6.078 7.499 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.763 -4.170 6.833 1.00 0.00 C ATOM 0 H VAL A 42 3.160 -5.162 10.149 1.00 0.00 H new ATOM 0 HA VAL A 42 2.817 -2.837 8.445 1.00 0.00 H new ATOM 0 HB VAL A 42 2.907 -4.232 6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.963 -6.537 6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.202 -6.377 7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.478 -6.406 8.246 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.573 -4.698 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.001 -4.441 7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.730 -3.095 6.656 1.00 0.00 H new ATOM 647 N HIS A 43 0.697 -2.485 9.672 1.00 0.00 N ATOM 648 CA HIS A 43 -0.510 -2.195 10.434 1.00 0.00 C ATOM 649 C HIS A 43 -1.170 -0.934 9.883 1.00 0.00 C ATOM 650 O HIS A 43 -0.612 -0.278 9.004 1.00 0.00 O ATOM 651 CB HIS A 43 -0.186 -1.968 11.916 1.00 0.00 C ATOM 652 CG HIS A 43 0.888 -2.858 12.488 1.00 0.00 C ATOM 653 ND1 HIS A 43 0.658 -4.028 13.218 1.00 0.00 N ATOM 654 CD2 HIS A 43 2.230 -2.650 12.381 1.00 0.00 C ATOM 655 CE1 HIS A 43 1.877 -4.497 13.528 1.00 0.00 C ATOM 656 NE2 HIS A 43 2.839 -3.691 13.043 1.00 0.00 N ATOM 0 H HIS A 43 1.102 -1.664 9.223 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.180 -3.050 10.344 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.118 -0.930 12.049 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.098 -2.110 12.496 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.243 -4.438 13.463 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.719 -1.830 11.876 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.061 -5.400 14.091 1.00 0.00 H new ATOM 664 N ARG A 44 -2.354 -0.579 10.394 1.00 0.00 N ATOM 665 CA ARG A 44 -2.985 0.684 10.034 1.00 0.00 C ATOM 666 C ARG A 44 -2.223 1.800 10.736 1.00 0.00 C ATOM 667 O ARG A 44 -1.462 1.544 11.669 1.00 0.00 O ATOM 668 CB ARG A 44 -4.451 0.700 10.468 1.00 0.00 C ATOM 669 CG ARG A 44 -5.242 -0.424 9.799 1.00 0.00 C ATOM 670 CD ARG A 44 -6.744 -0.235 10.041 1.00 0.00 C ATOM 671 NE ARG A 44 -7.048 -0.001 11.458 1.00 0.00 N ATOM 672 CZ ARG A 44 -6.934 -0.919 12.424 1.00 0.00 C ATOM 673 NH1 ARG A 44 -6.519 -2.151 12.156 1.00 0.00 N ATOM 674 NH2 ARG A 44 -7.243 -0.602 13.672 1.00 0.00 N ATOM 0 H ARG A 44 -2.887 -1.147 11.053 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.957 0.819 8.953 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.513 0.596 11.551 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.897 1.662 10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.038 -0.434 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.922 -1.388 10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.103 0.607 9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.281 -1.119 9.696 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.370 0.929 11.725 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.280 -2.412 11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.439 -2.837 12.907 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.567 0.340 13.894 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.157 -1.299 14.411 1.00 0.00 H new ATOM 688 N GLU A 45 -2.419 3.044 10.297 1.00 0.00 N ATOM 689 CA GLU A 45 -1.747 4.170 10.926 1.00 0.00 C ATOM 690 C GLU A 45 -2.149 4.276 12.398 1.00 0.00 C ATOM 691 O GLU A 45 -1.387 4.781 13.219 1.00 0.00 O ATOM 692 CB GLU A 45 -2.079 5.438 10.129 1.00 0.00 C ATOM 693 CG GLU A 45 -1.173 6.633 10.448 1.00 0.00 C ATOM 694 CD GLU A 45 -1.438 7.259 11.811 1.00 0.00 C ATOM 695 OE1 GLU A 45 -2.632 7.443 12.146 1.00 0.00 O ATOM 696 OE2 GLU A 45 -0.441 7.555 12.507 1.00 0.00 O ATOM 0 H GLU A 45 -3.030 3.291 9.518 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.666 4.030 10.914 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.006 5.215 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.114 5.718 10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.133 6.311 10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.305 7.393 9.678 1.00 0.00 H new ATOM 703 N GLU A 46 -3.352 3.797 12.728 1.00 0.00 N ATOM 704 CA GLU A 46 -3.867 3.819 14.088 1.00 0.00 C ATOM 705 C GLU A 46 -3.046 2.913 15.001 1.00 0.00 C ATOM 706 O GLU A 46 -2.805 3.251 16.158 1.00 0.00 O ATOM 707 CB GLU A 46 -5.313 3.326 14.050 1.00 0.00 C ATOM 708 CG GLU A 46 -5.975 3.406 15.425 1.00 0.00 C ATOM 709 CD GLU A 46 -7.434 2.957 15.353 1.00 0.00 C ATOM 710 OE1 GLU A 46 -7.699 1.951 14.654 1.00 0.00 O ATOM 711 OE2 GLU A 46 -8.276 3.620 15.999 1.00 0.00 O ATOM 0 H GLU A 46 -3.994 3.383 12.052 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.808 4.834 14.482 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.882 3.923 13.337 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.337 2.296 13.694 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.432 2.779 16.132 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.923 4.428 15.800 1.00 0.00 H new ATOM 718 N ILE A 47 -2.616 1.758 14.484 1.00 0.00 N ATOM 719 CA ILE A 47 -1.938 0.753 15.289 1.00 0.00 C ATOM 720 C ILE A 47 -0.429 0.957 15.251 1.00 0.00 C ATOM 721 O ILE A 47 0.265 0.625 16.213 1.00 0.00 O ATOM 722 CB ILE A 47 -2.299 -0.638 14.751 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.811 -0.826 14.563 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.751 -1.726 15.684 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.621 -0.418 15.796 1.00 0.00 C ATOM 0 H ILE A 47 -2.730 1.500 13.504 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.261 0.845 16.326 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.837 -0.726 13.768 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.141 -0.238 13.707 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.016 -1.871 14.330 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.014 -2.708 15.291 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.666 -1.639 15.747 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.183 -1.605 16.677 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.682 -0.574 15.602 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.315 -1.024 16.649 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.443 0.635 16.016 1.00 0.00 H new ATOM 737 N TYR A 48 0.083 1.508 14.147 1.00 0.00 N ATOM 738 CA TYR A 48 1.505 1.741 13.951 1.00 0.00 C ATOM 739 C TYR A 48 2.105 2.552 15.096 1.00 0.00 C ATOM 740 O TYR A 48 3.283 2.406 15.416 1.00 0.00 O ATOM 741 CB TYR A 48 1.670 2.497 12.632 1.00 0.00 C ATOM 742 CG TYR A 48 3.101 2.827 12.268 1.00 0.00 C ATOM 743 CD1 TYR A 48 3.903 1.864 11.637 1.00 0.00 C ATOM 744 CD2 TYR A 48 3.622 4.097 12.559 1.00 0.00 C ATOM 745 CE1 TYR A 48 5.216 2.174 11.268 1.00 0.00 C ATOM 746 CE2 TYR A 48 4.927 4.424 12.172 1.00 0.00 C ATOM 747 CZ TYR A 48 5.732 3.465 11.523 1.00 0.00 C ATOM 748 OH TYR A 48 7.002 3.785 11.147 1.00 0.00 O ATOM 0 H TYR A 48 -0.491 1.806 13.358 1.00 0.00 H new ATOM 0 HA TYR A 48 2.031 0.786 13.926 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.233 1.901 11.830 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.100 3.424 12.687 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.505 0.880 11.436 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.016 4.822 13.082 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.834 1.429 10.789 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.318 5.411 12.371 1.00 0.00 H new ATOM 0 HH TYR A 48 7.194 4.713 11.398 1.00 0.00 H new ATOM 1211 N MET C 1 0.222 -12.349 4.456 1.00 0.00 N ATOM 1212 CA MET C 1 -0.860 -11.650 3.734 1.00 0.00 C ATOM 1213 C MET C 1 -1.779 -10.945 4.721 1.00 0.00 C ATOM 1214 O MET C 1 -2.152 -11.538 5.725 1.00 0.00 O ATOM 1215 CB MET C 1 -1.665 -12.648 2.893 1.00 0.00 C ATOM 1216 CG MET C 1 -2.821 -11.973 2.149 1.00 0.00 C ATOM 1217 SD MET C 1 -2.293 -10.797 0.876 1.00 0.00 S ATOM 1218 CE MET C 1 -3.935 -10.254 0.343 1.00 0.00 C ATOM 0 H1 MET C 1 0.342 -13.304 4.062 1.00 0.00 H new ATOM 0 H2 MET C 1 1.110 -11.817 4.351 1.00 0.00 H new ATOM 0 H3 MET C 1 -0.022 -12.419 5.464 1.00 0.00 H new ATOM 0 HA MET C 1 -0.415 -10.907 3.072 1.00 0.00 H new ATOM 0 HB2 MET C 1 -1.004 -13.131 2.173 1.00 0.00 H new ATOM 0 HB3 MET C 1 -2.059 -13.432 3.540 1.00 0.00 H new ATOM 0 HG2 MET C 1 -3.439 -12.742 1.685 1.00 0.00 H new ATOM 0 HG3 MET C 1 -3.450 -11.452 2.871 1.00 0.00 H new ATOM 0 HE1 MET C 1 -3.873 -9.841 -0.664 1.00 0.00 H new ATOM 0 HE2 MET C 1 -4.618 -11.104 0.345 1.00 0.00 H new ATOM 0 HE3 MET C 1 -4.305 -9.489 1.026 1.00 0.00 H new ATOM 1230 N LEU C 2 -2.151 -9.693 4.448 1.00 0.00 N ATOM 1231 CA LEU C 2 -3.070 -8.949 5.293 1.00 0.00 C ATOM 1232 C LEU C 2 -4.109 -8.250 4.429 1.00 0.00 C ATOM 1233 O LEU C 2 -3.846 -7.918 3.276 1.00 0.00 O ATOM 1234 CB LEU C 2 -2.294 -7.907 6.100 1.00 0.00 C ATOM 1235 CG LEU C 2 -2.078 -8.329 7.551 1.00 0.00 C ATOM 1236 CD1 LEU C 2 -1.231 -7.271 8.246 1.00 0.00 C ATOM 1237 CD2 LEU C 2 -3.401 -8.459 8.303 1.00 0.00 C ATOM 0 H LEU C 2 -1.821 -9.172 3.635 1.00 0.00 H new ATOM 0 HA LEU C 2 -3.570 -9.638 5.974 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.327 -7.734 5.628 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -2.833 -6.960 6.077 1.00 0.00 H new ATOM 0 HG LEU C 2 -1.583 -9.300 7.553 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -1.068 -7.560 9.284 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -0.270 -7.183 7.739 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -1.748 -6.312 8.213 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.206 -8.761 9.332 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -3.918 -7.500 8.298 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -4.024 -9.210 7.816 1.00 0.00 H new ATOM 1249 N ILE C 3 -5.294 -8.033 4.999 1.00 0.00 N ATOM 1250 CA ILE C 3 -6.380 -7.337 4.331 1.00 0.00 C ATOM 1251 C ILE C 3 -6.961 -6.306 5.291 1.00 0.00 C ATOM 1252 O ILE C 3 -6.962 -6.515 6.505 1.00 0.00 O ATOM 1253 CB ILE C 3 -7.444 -8.343 3.853 1.00 0.00 C ATOM 1254 CG1 ILE C 3 -6.902 -9.264 2.755 1.00 0.00 C ATOM 1255 CG2 ILE C 3 -8.642 -7.618 3.236 1.00 0.00 C ATOM 1256 CD1 ILE C 3 -6.187 -10.493 3.309 1.00 0.00 C ATOM 0 H ILE C 3 -5.523 -8.340 5.944 1.00 0.00 H new ATOM 0 HA ILE C 3 -6.011 -6.819 3.445 1.00 0.00 H new ATOM 0 HB ILE C 3 -7.729 -8.916 4.735 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -7.726 -9.586 2.118 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -6.213 -8.702 2.124 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -9.380 -8.350 2.906 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -9.091 -6.960 3.980 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -8.310 -7.028 2.382 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -5.826 -11.107 2.484 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -5.344 -10.177 3.923 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -6.881 -11.074 3.917 1.00 0.00 H new ATOM 1268 N LEU C 4 -7.449 -5.195 4.741 1.00 0.00 N ATOM 1269 CA LEU C 4 -7.957 -4.067 5.505 1.00 0.00 C ATOM 1270 C LEU C 4 -9.127 -3.421 4.770 1.00 0.00 C ATOM 1271 O LEU C 4 -9.352 -3.691 3.590 1.00 0.00 O ATOM 1272 CB LEU C 4 -6.846 -3.024 5.666 1.00 0.00 C ATOM 1273 CG LEU C 4 -5.653 -3.498 6.497 1.00 0.00 C ATOM 1274 CD1 LEU C 4 -4.584 -2.406 6.437 1.00 0.00 C ATOM 1275 CD2 LEU C 4 -6.038 -3.726 7.959 1.00 0.00 C ATOM 0 H LEU C 4 -7.501 -5.056 3.732 1.00 0.00 H new ATOM 0 HA LEU C 4 -8.289 -4.422 6.481 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -6.492 -2.732 4.677 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -7.266 -2.132 6.131 1.00 0.00 H new ATOM 0 HG LEU C 4 -5.293 -4.444 6.093 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -3.717 -2.713 7.021 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -4.285 -2.246 5.401 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -4.987 -1.479 6.846 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -5.164 -4.062 8.517 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -6.406 -2.794 8.388 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -6.819 -4.485 8.016 1.00 0.00 H new ATOM 1287 N THR C 5 -9.873 -2.564 5.467 1.00 0.00 N ATOM 1288 CA THR C 5 -10.922 -1.771 4.840 1.00 0.00 C ATOM 1289 C THR C 5 -10.880 -0.353 5.407 1.00 0.00 C ATOM 1290 O THR C 5 -11.469 -0.066 6.449 1.00 0.00 O ATOM 1291 CB THR C 5 -12.306 -2.415 5.019 1.00 0.00 C ATOM 1292 OG1 THR C 5 -12.201 -3.818 5.127 1.00 0.00 O ATOM 1293 CG2 THR C 5 -13.183 -2.107 3.807 1.00 0.00 C ATOM 0 H THR C 5 -9.767 -2.403 6.469 1.00 0.00 H new ATOM 0 HA THR C 5 -10.743 -1.730 3.766 1.00 0.00 H new ATOM 0 HB THR C 5 -12.744 -2.007 5.930 1.00 0.00 H new ATOM 0 HG1 THR C 5 -13.094 -4.205 5.242 1.00 0.00 H new ATOM 0 HG21 THR C 5 -14.162 -2.566 3.940 1.00 0.00 H new ATOM 0 HG22 THR C 5 -13.299 -1.028 3.707 1.00 0.00 H new ATOM 0 HG23 THR C 5 -12.714 -2.507 2.908 1.00 0.00 H new ATOM 1301 N ARG C 6 -10.174 0.534 4.701 1.00 0.00 N ATOM 1302 CA ARG C 6 -10.003 1.937 5.072 1.00 0.00 C ATOM 1303 C ARG C 6 -10.869 2.807 4.174 1.00 0.00 C ATOM 1304 O ARG C 6 -11.481 2.292 3.243 1.00 0.00 O ATOM 1305 CB ARG C 6 -8.532 2.317 4.882 1.00 0.00 C ATOM 1306 CG ARG C 6 -7.640 1.614 5.904 1.00 0.00 C ATOM 1307 CD ARG C 6 -7.005 2.643 6.841 1.00 0.00 C ATOM 1308 NE ARG C 6 -8.032 3.342 7.621 1.00 0.00 N ATOM 1309 CZ ARG C 6 -7.880 3.735 8.889 1.00 0.00 C ATOM 1310 NH1 ARG C 6 -6.716 3.573 9.516 1.00 0.00 N ATOM 1311 NH2 ARG C 6 -8.897 4.290 9.539 1.00 0.00 N ATOM 0 H ARG C 6 -9.695 0.288 3.835 1.00 0.00 H new ATOM 0 HA ARG C 6 -10.297 2.087 6.111 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -8.213 2.051 3.874 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -8.418 3.397 4.978 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -8.227 0.899 6.480 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -6.862 1.048 5.391 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.306 2.146 7.514 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.430 3.364 6.260 1.00 0.00 H new ATOM 0 HE ARG C 6 -8.922 3.541 7.165 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -5.929 3.145 9.028 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -6.612 3.877 10.484 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -9.794 4.416 9.070 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -8.781 4.590 10.507 1.00 0.00 H new ATOM 1325 N LYS C 7 -10.940 4.116 4.430 1.00 0.00 N ATOM 1326 CA LYS C 7 -11.657 5.029 3.540 1.00 0.00 C ATOM 1327 C LYS C 7 -10.816 6.251 3.208 1.00 0.00 C ATOM 1328 O LYS C 7 -9.752 6.461 3.787 1.00 0.00 O ATOM 1329 CB LYS C 7 -13.029 5.434 4.087 1.00 0.00 C ATOM 1330 CG LYS C 7 -12.948 6.052 5.483 1.00 0.00 C ATOM 1331 CD LYS C 7 -14.333 6.581 5.851 1.00 0.00 C ATOM 1332 CE LYS C 7 -14.293 7.408 7.133 1.00 0.00 C ATOM 1333 NZ LYS C 7 -13.762 6.633 8.273 1.00 0.00 N ATOM 0 H LYS C 7 -10.513 4.564 5.241 1.00 0.00 H new ATOM 0 HA LYS C 7 -11.839 4.480 2.616 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -13.492 6.147 3.405 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -13.676 4.557 4.119 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -12.619 5.309 6.209 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -12.216 6.859 5.500 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -14.719 7.192 5.035 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -15.021 5.745 5.977 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -13.675 8.292 6.976 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -15.297 7.760 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -14.041 7.091 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -14.146 5.667 8.245 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -12.724 6.594 8.213 1.00 0.00 H new ATOM 1347 N VAL C 8 -11.307 7.050 2.263 1.00 0.00 N ATOM 1348 CA VAL C 8 -10.526 8.153 1.721 1.00 0.00 C ATOM 1349 C VAL C 8 -10.090 9.125 2.814 1.00 0.00 C ATOM 1350 O VAL C 8 -10.893 9.550 3.643 1.00 0.00 O ATOM 1351 CB VAL C 8 -11.264 8.844 0.570 1.00 0.00 C ATOM 1352 CG1 VAL C 8 -11.735 7.788 -0.434 1.00 0.00 C ATOM 1353 CG2 VAL C 8 -12.484 9.655 0.992 1.00 0.00 C ATOM 0 H VAL C 8 -12.239 6.953 1.860 1.00 0.00 H new ATOM 0 HA VAL C 8 -9.610 7.740 1.299 1.00 0.00 H new ATOM 0 HB VAL C 8 -10.545 9.543 0.142 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -12.261 8.275 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -10.873 7.248 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -12.407 7.088 0.063 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -12.942 10.107 0.113 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -13.205 9.000 1.480 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -12.178 10.438 1.685 1.00 0.00 H new ATOM 1363 N GLY C 9 -8.801 9.466 2.796 1.00 0.00 N ATOM 1364 CA GLY C 9 -8.218 10.402 3.750 1.00 0.00 C ATOM 1365 C GLY C 9 -7.516 9.691 4.910 1.00 0.00 C ATOM 1366 O GLY C 9 -6.992 10.359 5.802 1.00 0.00 O ATOM 0 H GLY C 9 -8.133 9.099 2.118 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -7.503 11.044 3.235 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -9.001 11.049 4.145 1.00 0.00 H new ATOM 1370 N GLU C 10 -7.502 8.353 4.913 1.00 0.00 N ATOM 1371 CA GLU C 10 -6.872 7.571 5.970 1.00 0.00 C ATOM 1372 C GLU C 10 -5.544 6.979 5.487 1.00 0.00 C ATOM 1373 O GLU C 10 -5.165 7.167 4.329 1.00 0.00 O ATOM 1374 CB GLU C 10 -7.842 6.479 6.432 1.00 0.00 C ATOM 1375 CG GLU C 10 -9.140 7.117 6.933 1.00 0.00 C ATOM 1376 CD GLU C 10 -10.156 6.079 7.408 1.00 0.00 C ATOM 1377 OE1 GLU C 10 -10.091 4.925 6.930 1.00 0.00 O ATOM 1378 OE2 GLU C 10 -10.999 6.447 8.254 1.00 0.00 O ATOM 0 H GLU C 10 -7.929 7.787 4.180 1.00 0.00 H new ATOM 0 HA GLU C 10 -6.644 8.217 6.818 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.055 5.797 5.609 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -7.387 5.887 7.226 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -8.913 7.800 7.752 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.581 7.713 6.134 1.00 0.00 H new ATOM 1385 N SER C 11 -4.832 6.261 6.362 1.00 0.00 N ATOM 1386 CA SER C 11 -3.489 5.778 6.050 1.00 0.00 C ATOM 1387 C SER C 11 -3.201 4.399 6.638 1.00 0.00 C ATOM 1388 O SER C 11 -3.944 3.889 7.477 1.00 0.00 O ATOM 1389 CB SER C 11 -2.456 6.776 6.578 1.00 0.00 C ATOM 1390 OG SER C 11 -2.675 8.057 6.024 1.00 0.00 O ATOM 0 H SER C 11 -5.166 6.003 7.291 1.00 0.00 H new ATOM 0 HA SER C 11 -3.425 5.687 4.966 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.516 6.829 7.665 1.00 0.00 H new ATOM 0 HB3 SER C 11 -1.451 6.433 6.330 1.00 0.00 H new ATOM 0 HG SER C 11 -2.007 8.683 6.373 1.00 0.00 H new ATOM 1396 N ILE C 12 -2.097 3.805 6.171 1.00 0.00 N ATOM 1397 CA ILE C 12 -1.611 2.485 6.555 1.00 0.00 C ATOM 1398 C ILE C 12 -0.081 2.564 6.589 1.00 0.00 C ATOM 1399 O ILE C 12 0.492 3.516 6.061 1.00 0.00 O ATOM 1400 CB ILE C 12 -2.108 1.431 5.544 1.00 0.00 C ATOM 1401 CG1 ILE C 12 -3.627 1.561 5.338 1.00 0.00 C ATOM 1402 CG2 ILE C 12 -1.758 0.007 5.998 1.00 0.00 C ATOM 1403 CD1 ILE C 12 -4.141 0.667 4.209 1.00 0.00 C ATOM 0 H ILE C 12 -1.494 4.257 5.484 1.00 0.00 H new ATOM 0 HA ILE C 12 -1.986 2.186 7.534 1.00 0.00 H new ATOM 0 HB ILE C 12 -1.601 1.616 4.597 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.140 1.303 6.264 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -3.873 2.599 5.116 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.123 -0.710 5.262 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -0.676 -0.089 6.093 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -2.226 -0.193 6.962 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -5.218 0.796 4.105 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -3.650 0.942 3.275 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -3.921 -0.375 4.441 1.00 0.00 H new ATOM 1415 N ASN C 13 0.601 1.590 7.195 1.00 0.00 N ATOM 1416 CA ASN C 13 2.050 1.643 7.343 1.00 0.00 C ATOM 1417 C ASN C 13 2.699 0.278 7.155 1.00 0.00 C ATOM 1418 O ASN C 13 2.067 -0.757 7.352 1.00 0.00 O ATOM 1419 CB ASN C 13 2.399 2.188 8.727 1.00 0.00 C ATOM 1420 CG ASN C 13 2.134 3.681 8.821 1.00 0.00 C ATOM 1421 OD1 ASN C 13 1.046 4.108 9.199 1.00 0.00 O ATOM 1422 ND2 ASN C 13 3.138 4.487 8.479 1.00 0.00 N ATOM 0 H ASN C 13 0.169 0.755 7.591 1.00 0.00 H new ATOM 0 HA ASN C 13 2.438 2.301 6.565 1.00 0.00 H new ATOM 0 HB2 ASN C 13 1.813 1.665 9.483 1.00 0.00 H new ATOM 0 HB3 ASN C 13 3.449 1.989 8.943 1.00 0.00 H new ATOM 0 HD21 ASN C 13 3.018 5.499 8.526 1.00 0.00 H new ATOM 0 HD22 ASN C 13 4.026 4.092 8.170 1.00 0.00 H new ATOM 1429 N ILE C 14 3.979 0.299 6.767 1.00 0.00 N ATOM 1430 CA ILE C 14 4.789 -0.893 6.553 1.00 0.00 C ATOM 1431 C ILE C 14 6.198 -0.620 7.076 1.00 0.00 C ATOM 1432 O ILE C 14 6.674 0.515 7.031 1.00 0.00 O ATOM 1433 CB ILE C 14 4.807 -1.259 5.059 1.00 0.00 C ATOM 1434 CG1 ILE C 14 3.377 -1.426 4.524 1.00 0.00 C ATOM 1435 CG2 ILE C 14 5.608 -2.551 4.854 1.00 0.00 C ATOM 1436 CD1 ILE C 14 3.350 -1.782 3.037 1.00 0.00 C ATOM 0 H ILE C 14 4.486 1.166 6.591 1.00 0.00 H new ATOM 0 HA ILE C 14 4.366 -1.741 7.092 1.00 0.00 H new ATOM 0 HB ILE C 14 5.284 -0.451 4.504 1.00 0.00 H new ATOM 0 HG12 ILE C 14 2.868 -2.206 5.091 1.00 0.00 H new ATOM 0 HG13 ILE C 14 2.822 -0.502 4.684 1.00 0.00 H new ATOM 0 HG21 ILE C 14 5.619 -2.808 3.795 1.00 0.00 H new ATOM 0 HG22 ILE C 14 6.630 -2.404 5.203 1.00 0.00 H new ATOM 0 HG23 ILE C 14 5.145 -3.360 5.419 1.00 0.00 H new ATOM 0 HD11 ILE C 14 2.317 -1.889 2.707 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.833 -0.990 2.465 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.881 -2.721 2.878 1.00 0.00 H new ATOM 1448 N GLY C 15 6.873 -1.660 7.575 1.00 0.00 N ATOM 1449 CA GLY C 15 8.207 -1.539 8.138 1.00 0.00 C ATOM 1450 C GLY C 15 8.228 -0.468 9.227 1.00 0.00 C ATOM 1451 O GLY C 15 7.304 -0.375 10.037 1.00 0.00 O ATOM 0 H GLY C 15 6.502 -2.610 7.597 1.00 0.00 H new ATOM 0 HA2 GLY C 15 8.522 -2.496 8.554 1.00 0.00 H new ATOM 0 HA3 GLY C 15 8.919 -1.283 7.353 1.00 0.00 H new ATOM 1455 N ASP C 16 9.291 0.336 9.240 1.00 0.00 N ATOM 1456 CA ASP C 16 9.440 1.458 10.154 1.00 0.00 C ATOM 1457 C ASP C 16 9.823 2.717 9.373 1.00 0.00 C ATOM 1458 O ASP C 16 10.189 3.733 9.963 1.00 0.00 O ATOM 1459 CB ASP C 16 10.487 1.124 11.216 1.00 0.00 C ATOM 1460 CG ASP C 16 10.025 -0.016 12.119 1.00 0.00 C ATOM 1461 OD1 ASP C 16 9.278 0.280 13.078 1.00 0.00 O ATOM 1462 OD2 ASP C 16 10.425 -1.172 11.847 1.00 0.00 O ATOM 0 H ASP C 16 10.081 0.221 8.605 1.00 0.00 H new ATOM 0 HA ASP C 16 8.493 1.648 10.659 1.00 0.00 H new ATOM 0 HB2 ASP C 16 11.423 0.848 10.731 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.689 2.009 11.820 1.00 0.00 H new ATOM 1467 N ASP C 17 9.742 2.643 8.040 1.00 0.00 N ATOM 1468 CA ASP C 17 10.144 3.724 7.154 1.00 0.00 C ATOM 1469 C ASP C 17 9.211 3.853 5.945 1.00 0.00 C ATOM 1470 O ASP C 17 9.534 4.584 5.009 1.00 0.00 O ATOM 1471 CB ASP C 17 11.582 3.494 6.679 1.00 0.00 C ATOM 1472 CG ASP C 17 12.575 3.455 7.839 1.00 0.00 C ATOM 1473 OD1 ASP C 17 12.961 4.553 8.299 1.00 0.00 O ATOM 1474 OD2 ASP C 17 12.934 2.329 8.256 1.00 0.00 O ATOM 0 H ASP C 17 9.392 1.821 7.548 1.00 0.00 H new ATOM 0 HA ASP C 17 10.082 4.655 7.717 1.00 0.00 H new ATOM 0 HB2 ASP C 17 11.634 2.556 6.127 1.00 0.00 H new ATOM 0 HB3 ASP C 17 11.865 4.287 5.987 1.00 0.00 H new ATOM 1479 N ILE C 18 8.066 3.159 5.940 1.00 0.00 N ATOM 1480 CA ILE C 18 7.140 3.230 4.815 1.00 0.00 C ATOM 1481 C ILE C 18 5.734 3.569 5.305 1.00 0.00 C ATOM 1482 O ILE C 18 5.318 3.160 6.391 1.00 0.00 O ATOM 1483 CB ILE C 18 7.135 1.915 4.018 1.00 0.00 C ATOM 1484 CG1 ILE C 18 8.531 1.523 3.514 1.00 0.00 C ATOM 1485 CG2 ILE C 18 6.214 2.044 2.802 1.00 0.00 C ATOM 1486 CD1 ILE C 18 9.253 0.633 4.531 1.00 0.00 C ATOM 0 H ILE C 18 7.765 2.548 6.699 1.00 0.00 H new ATOM 0 HA ILE C 18 7.476 4.023 4.147 1.00 0.00 H new ATOM 0 HB ILE C 18 6.783 1.142 4.701 1.00 0.00 H new ATOM 0 HG12 ILE C 18 8.444 0.997 2.563 1.00 0.00 H new ATOM 0 HG13 ILE C 18 9.120 2.421 3.329 1.00 0.00 H new ATOM 0 HG21 ILE C 18 6.216 1.108 2.243 1.00 0.00 H new ATOM 0 HG22 ILE C 18 5.200 2.265 3.135 1.00 0.00 H new ATOM 0 HG23 ILE C 18 6.569 2.851 2.161 1.00 0.00 H new ATOM 0 HD11 ILE C 18 10.239 0.370 4.149 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.360 1.170 5.473 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.674 -0.275 4.695 1.00 0.00 H new ATOM 1498 N THR C 19 5.001 4.323 4.483 1.00 0.00 N ATOM 1499 CA THR C 19 3.629 4.720 4.761 1.00 0.00 C ATOM 1500 C THR C 19 2.829 4.639 3.469 1.00 0.00 C ATOM 1501 O THR C 19 3.396 4.739 2.379 1.00 0.00 O ATOM 1502 CB THR C 19 3.606 6.148 5.321 1.00 0.00 C ATOM 1503 OG1 THR C 19 4.450 6.237 6.447 1.00 0.00 O ATOM 1504 CG2 THR C 19 2.202 6.566 5.758 1.00 0.00 C ATOM 0 H THR C 19 5.354 4.677 3.594 1.00 0.00 H new ATOM 0 HA THR C 19 3.187 4.055 5.503 1.00 0.00 H new ATOM 0 HB THR C 19 3.945 6.808 4.522 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.431 7.152 6.798 1.00 0.00 H new ATOM 0 HG21 THR C 19 2.230 7.583 6.148 1.00 0.00 H new ATOM 0 HG22 THR C 19 1.527 6.524 4.903 1.00 0.00 H new ATOM 0 HG23 THR C 19 1.846 5.889 6.535 1.00 0.00 H new ATOM 1512 N ILE C 20 1.514 4.462 3.598 1.00 0.00 N ATOM 1513 CA ILE C 20 0.590 4.371 2.478 1.00 0.00 C ATOM 1514 C ILE C 20 -0.625 5.238 2.802 1.00 0.00 C ATOM 1515 O ILE C 20 -1.021 5.329 3.964 1.00 0.00 O ATOM 1516 CB ILE C 20 0.153 2.908 2.286 1.00 0.00 C ATOM 1517 CG1 ILE C 20 1.340 1.970 2.037 1.00 0.00 C ATOM 1518 CG2 ILE C 20 -0.866 2.786 1.148 1.00 0.00 C ATOM 1519 CD1 ILE C 20 2.012 2.200 0.687 1.00 0.00 C ATOM 0 H ILE C 20 1.056 4.377 4.505 1.00 0.00 H new ATOM 0 HA ILE C 20 1.066 4.714 1.560 1.00 0.00 H new ATOM 0 HB ILE C 20 -0.317 2.598 3.219 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.075 2.106 2.830 1.00 0.00 H new ATOM 0 HG13 ILE C 20 0.997 0.937 2.094 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.159 1.743 1.032 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.745 3.386 1.381 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.419 3.142 0.220 1.00 0.00 H new ATOM 0 HD11 ILE C 20 2.844 1.505 0.572 1.00 0.00 H new ATOM 0 HD12 ILE C 20 1.289 2.036 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE C 20 2.384 3.223 0.635 1.00 0.00 H new ATOM 1531 N THR C 21 -1.212 5.871 1.784 1.00 0.00 N ATOM 1532 CA THR C 21 -2.360 6.743 1.986 1.00 0.00 C ATOM 1533 C THR C 21 -3.374 6.550 0.867 1.00 0.00 C ATOM 1534 O THR C 21 -3.004 6.290 -0.274 1.00 0.00 O ATOM 1535 CB THR C 21 -1.890 8.203 2.025 1.00 0.00 C ATOM 1536 OG1 THR C 21 -0.784 8.341 2.891 1.00 0.00 O ATOM 1537 CG2 THR C 21 -3.003 9.124 2.521 1.00 0.00 C ATOM 0 H THR C 21 -0.908 5.793 0.814 1.00 0.00 H new ATOM 0 HA THR C 21 -2.838 6.491 2.932 1.00 0.00 H new ATOM 0 HB THR C 21 -1.610 8.482 1.009 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.494 9.277 2.905 1.00 0.00 H new ATOM 0 HG21 THR C 21 -2.643 10.153 2.539 1.00 0.00 H new ATOM 0 HG22 THR C 21 -3.861 9.051 1.852 1.00 0.00 H new ATOM 0 HG23 THR C 21 -3.301 8.826 3.526 1.00 0.00 H new ATOM 1545 N ILE C 22 -4.657 6.677 1.205 1.00 0.00 N ATOM 1546 CA ILE C 22 -5.756 6.575 0.251 1.00 0.00 C ATOM 1547 C ILE C 22 -6.293 7.985 -0.001 1.00 0.00 C ATOM 1548 O ILE C 22 -7.118 8.491 0.755 1.00 0.00 O ATOM 1549 CB ILE C 22 -6.804 5.569 0.766 1.00 0.00 C ATOM 1550 CG1 ILE C 22 -8.120 5.624 -0.016 1.00 0.00 C ATOM 1551 CG2 ILE C 22 -7.129 5.770 2.246 1.00 0.00 C ATOM 1552 CD1 ILE C 22 -7.894 5.504 -1.515 1.00 0.00 C ATOM 0 H ILE C 22 -4.964 6.856 2.161 1.00 0.00 H new ATOM 0 HA ILE C 22 -5.431 6.179 -0.711 1.00 0.00 H new ATOM 0 HB ILE C 22 -6.338 4.594 0.619 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -8.775 4.819 0.318 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -8.632 6.562 0.200 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -7.872 5.036 2.558 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.223 5.643 2.838 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -7.524 6.774 2.399 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -8.853 5.548 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -7.261 6.324 -1.854 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -7.406 4.554 -1.735 1.00 0.00 H new ATOM 1564 N LEU C 23 -5.816 8.623 -1.072 1.00 0.00 N ATOM 1565 CA LEU C 23 -6.118 10.023 -1.341 1.00 0.00 C ATOM 1566 C LEU C 23 -7.574 10.224 -1.772 1.00 0.00 C ATOM 1567 O LEU C 23 -8.117 11.312 -1.596 1.00 0.00 O ATOM 1568 CB LEU C 23 -5.169 10.569 -2.420 1.00 0.00 C ATOM 1569 CG LEU C 23 -3.704 10.140 -2.266 1.00 0.00 C ATOM 1570 CD1 LEU C 23 -2.843 10.858 -3.307 1.00 0.00 C ATOM 1571 CD2 LEU C 23 -3.142 10.480 -0.892 1.00 0.00 C ATOM 0 H LEU C 23 -5.215 8.185 -1.770 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.972 10.574 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.527 10.244 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.217 11.658 -2.409 1.00 0.00 H new ATOM 0 HG LEU C 23 -3.678 9.059 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.803 10.550 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.191 10.600 -4.307 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -2.920 11.936 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -2.103 10.156 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -3.196 11.557 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.724 9.970 -0.124 1.00 0.00 H new ATOM 1583 N GLY C 24 -8.213 9.190 -2.334 1.00 0.00 N ATOM 1584 CA GLY C 24 -9.624 9.268 -2.698 1.00 0.00 C ATOM 1585 C GLY C 24 -10.028 8.246 -3.761 1.00 0.00 C ATOM 1586 O GLY C 24 -9.227 7.393 -4.139 1.00 0.00 O ATOM 0 H GLY C 24 -7.772 8.294 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -10.232 9.115 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -9.843 10.271 -3.065 1.00 0.00 H new ATOM 1590 N VAL C 25 -11.273 8.329 -4.243 1.00 0.00 N ATOM 1591 CA VAL C 25 -11.773 7.420 -5.276 1.00 0.00 C ATOM 1592 C VAL C 25 -12.569 8.165 -6.348 1.00 0.00 C ATOM 1593 O VAL C 25 -13.031 9.283 -6.130 1.00 0.00 O ATOM 1594 CB VAL C 25 -12.653 6.315 -4.673 1.00 0.00 C ATOM 1595 CG1 VAL C 25 -11.991 5.657 -3.465 1.00 0.00 C ATOM 1596 CG2 VAL C 25 -14.030 6.848 -4.267 1.00 0.00 C ATOM 0 H VAL C 25 -11.955 9.021 -3.931 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.896 6.967 -5.739 1.00 0.00 H new ATOM 0 HB VAL C 25 -12.779 5.566 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -12.646 4.881 -3.069 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -11.043 5.212 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -11.810 6.407 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -14.624 6.037 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -13.910 7.636 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -14.537 7.251 -5.144 1.00 0.00 H new ATOM 1606 N SER C 26 -12.723 7.516 -7.509 1.00 0.00 N ATOM 1607 CA SER C 26 -13.491 8.016 -8.640 1.00 0.00 C ATOM 1608 C SER C 26 -14.058 6.828 -9.414 1.00 0.00 C ATOM 1609 O SER C 26 -13.424 6.332 -10.340 1.00 0.00 O ATOM 1610 CB SER C 26 -12.599 8.860 -9.555 1.00 0.00 C ATOM 1611 OG SER C 26 -12.119 10.000 -8.878 1.00 0.00 O ATOM 0 H SER C 26 -12.302 6.604 -7.685 1.00 0.00 H new ATOM 0 HA SER C 26 -14.305 8.645 -8.279 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.759 8.260 -9.905 1.00 0.00 H new ATOM 0 HB3 SER C 26 -13.162 9.166 -10.437 1.00 0.00 H new ATOM 0 HG SER C 26 -11.550 10.523 -9.481 1.00 0.00 H new ATOM 1617 N GLY C 27 -15.253 6.361 -9.041 1.00 0.00 N ATOM 1618 CA GLY C 27 -15.869 5.220 -9.704 1.00 0.00 C ATOM 1619 C GLY C 27 -15.200 3.924 -9.254 1.00 0.00 C ATOM 1620 O GLY C 27 -15.476 3.439 -8.158 1.00 0.00 O ATOM 0 H GLY C 27 -15.809 6.759 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.934 5.187 -9.473 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -15.780 5.327 -10.785 1.00 0.00 H new ATOM 1624 N GLN C 28 -14.323 3.358 -10.089 1.00 0.00 N ATOM 1625 CA GLN C 28 -13.517 2.205 -9.697 1.00 0.00 C ATOM 1626 C GLN C 28 -12.088 2.647 -9.474 1.00 0.00 C ATOM 1627 O GLN C 28 -11.330 1.946 -8.805 1.00 0.00 O ATOM 1628 CB GLN C 28 -13.497 1.124 -10.779 1.00 0.00 C ATOM 1629 CG GLN C 28 -14.862 0.522 -11.094 1.00 0.00 C ATOM 1630 CD GLN C 28 -15.483 -0.193 -9.897 1.00 0.00 C ATOM 1631 OE1 GLN C 28 -15.462 -1.419 -9.825 1.00 0.00 O ATOM 1632 NE2 GLN C 28 -16.042 0.553 -8.947 1.00 0.00 N ATOM 0 H GLN C 28 -14.155 3.683 -11.041 1.00 0.00 H new ATOM 0 HA GLN C 28 -13.961 1.794 -8.790 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -13.082 1.549 -11.693 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -12.825 0.325 -10.465 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.534 1.312 -11.428 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -14.762 -0.182 -11.920 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -16.045 1.569 -9.033 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -16.467 0.108 -8.133 1.00 0.00 H new ATOM 1641 N GLN C 29 -11.706 3.801 -10.030 1.00 0.00 N ATOM 1642 CA GLN C 29 -10.371 4.315 -9.822 1.00 0.00 C ATOM 1643 C GLN C 29 -10.226 4.728 -8.366 1.00 0.00 C ATOM 1644 O GLN C 29 -11.186 5.141 -7.718 1.00 0.00 O ATOM 1645 CB GLN C 29 -10.066 5.491 -10.754 1.00 0.00 C ATOM 1646 CG GLN C 29 -9.711 5.036 -12.163 1.00 0.00 C ATOM 1647 CD GLN C 29 -10.853 4.299 -12.823 1.00 0.00 C ATOM 1648 OE1 GLN C 29 -11.995 4.746 -12.815 1.00 0.00 O ATOM 1649 NE2 GLN C 29 -10.543 3.151 -13.404 1.00 0.00 N ATOM 0 H GLN C 29 -12.302 4.383 -10.619 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.651 3.531 -10.057 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.931 6.152 -10.796 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -9.240 6.072 -10.344 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -9.441 5.902 -12.767 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -8.835 4.389 -12.125 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -9.580 2.815 -13.388 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -11.267 2.602 -13.868 1.00 0.00 H new ATOM 1658 N VAL C 30 -9.001 4.605 -7.859 1.00 0.00 N ATOM 1659 CA VAL C 30 -8.652 4.907 -6.490 1.00 0.00 C ATOM 1660 C VAL C 30 -7.317 5.638 -6.529 1.00 0.00 C ATOM 1661 O VAL C 30 -6.311 5.074 -6.949 1.00 0.00 O ATOM 1662 CB VAL C 30 -8.560 3.592 -5.703 1.00 0.00 C ATOM 1663 CG1 VAL C 30 -8.247 3.859 -4.238 1.00 0.00 C ATOM 1664 CG2 VAL C 30 -9.881 2.826 -5.752 1.00 0.00 C ATOM 0 H VAL C 30 -8.208 4.282 -8.413 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.396 5.533 -5.997 1.00 0.00 H new ATOM 0 HB VAL C 30 -7.766 3.006 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -8.187 2.913 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -7.294 4.383 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -9.036 4.473 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.785 1.899 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -10.672 3.437 -5.317 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.129 2.595 -6.788 1.00 0.00 H new ATOM 1674 N ARG C 31 -7.307 6.897 -6.086 1.00 0.00 N ATOM 1675 CA ARG C 31 -6.085 7.673 -5.965 1.00 0.00 C ATOM 1676 C ARG C 31 -5.374 7.209 -4.704 1.00 0.00 C ATOM 1677 O ARG C 31 -5.934 7.285 -3.611 1.00 0.00 O ATOM 1678 CB ARG C 31 -6.419 9.162 -5.853 1.00 0.00 C ATOM 1679 CG ARG C 31 -6.480 9.846 -7.215 1.00 0.00 C ATOM 1680 CD ARG C 31 -5.055 10.093 -7.722 1.00 0.00 C ATOM 1681 NE ARG C 31 -5.055 10.940 -8.919 1.00 0.00 N ATOM 1682 CZ ARG C 31 -3.954 11.258 -9.606 1.00 0.00 C ATOM 1683 NH1 ARG C 31 -2.762 10.803 -9.230 1.00 0.00 N ATOM 1684 NH2 ARG C 31 -4.040 12.040 -10.677 1.00 0.00 N ATOM 0 H ARG C 31 -8.148 7.401 -5.803 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.452 7.530 -6.841 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.377 9.280 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -5.669 9.655 -5.235 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -7.027 9.224 -7.923 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -7.019 10.790 -7.137 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.465 10.568 -6.938 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.577 9.140 -7.948 1.00 0.00 H new ATOM 0 HE ARG C 31 -5.948 11.308 -9.246 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -2.681 10.204 -8.409 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -1.929 11.053 -9.763 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -4.947 12.398 -10.975 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.199 12.282 -11.201 1.00 0.00 H new ATOM 1698 N ILE C 32 -4.143 6.726 -4.859 1.00 0.00 N ATOM 1699 CA ILE C 32 -3.378 6.170 -3.749 1.00 0.00 C ATOM 1700 C ILE C 32 -2.006 6.827 -3.703 1.00 0.00 C ATOM 1701 O ILE C 32 -1.520 7.311 -4.723 1.00 0.00 O ATOM 1702 CB ILE C 32 -3.244 4.646 -3.905 1.00 0.00 C ATOM 1703 CG1 ILE C 32 -4.583 4.034 -4.327 1.00 0.00 C ATOM 1704 CG2 ILE C 32 -2.746 4.015 -2.597 1.00 0.00 C ATOM 1705 CD1 ILE C 32 -4.581 2.507 -4.315 1.00 0.00 C ATOM 0 H ILE C 32 -3.652 6.710 -5.753 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.900 6.370 -2.813 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.511 4.438 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.366 4.394 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.834 4.382 -5.329 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.657 2.936 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.772 4.432 -2.340 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -3.455 4.228 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -5.560 2.139 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.821 2.139 -5.004 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.361 2.151 -3.308 1.00 0.00 H new ATOM 1717 N GLY C 33 -1.387 6.846 -2.524 1.00 0.00 N ATOM 1718 CA GLY C 33 -0.065 7.418 -2.350 1.00 0.00 C ATOM 1719 C GLY C 33 0.823 6.472 -1.550 1.00 0.00 C ATOM 1720 O GLY C 33 0.339 5.619 -0.809 1.00 0.00 O ATOM 0 H GLY C 33 -1.791 6.465 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.385 7.613 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.141 8.376 -1.837 1.00 0.00 H new ATOM 1724 N ILE C 34 2.135 6.644 -1.712 1.00 0.00 N ATOM 1725 CA ILE C 34 3.148 5.808 -1.091 1.00 0.00 C ATOM 1726 C ILE C 34 4.288 6.702 -0.646 1.00 0.00 C ATOM 1727 O ILE C 34 4.629 7.665 -1.330 1.00 0.00 O ATOM 1728 CB ILE C 34 3.661 4.781 -2.113 1.00 0.00 C ATOM 1729 CG1 ILE C 34 2.505 3.967 -2.712 1.00 0.00 C ATOM 1730 CG2 ILE C 34 4.691 3.856 -1.454 1.00 0.00 C ATOM 1731 CD1 ILE C 34 2.986 3.093 -3.868 1.00 0.00 C ATOM 0 H ILE C 34 2.526 7.386 -2.292 1.00 0.00 H new ATOM 0 HA ILE C 34 2.732 5.276 -0.236 1.00 0.00 H new ATOM 0 HB ILE C 34 4.142 5.320 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE C 34 2.060 3.340 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.725 4.642 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE C 34 5.049 3.131 -2.185 1.00 0.00 H new ATOM 0 HG22 ILE C 34 5.530 4.448 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.227 3.330 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE C 34 2.145 2.529 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE C 34 3.408 3.724 -4.650 1.00 0.00 H new ATOM 0 HD13 ILE C 34 3.748 2.402 -3.509 1.00 0.00 H new ATOM 1743 N ASN C 35 4.887 6.391 0.501 1.00 0.00 N ATOM 1744 CA ASN C 35 5.946 7.215 1.046 1.00 0.00 C ATOM 1745 C ASN C 35 7.029 6.321 1.632 1.00 0.00 C ATOM 1746 O ASN C 35 6.837 5.715 2.686 1.00 0.00 O ATOM 1747 CB ASN C 35 5.326 8.150 2.081 1.00 0.00 C ATOM 1748 CG ASN C 35 6.272 9.257 2.516 1.00 0.00 C ATOM 1749 OD1 ASN C 35 7.483 9.072 2.575 1.00 0.00 O ATOM 1750 ND2 ASN C 35 5.719 10.429 2.817 1.00 0.00 N ATOM 0 H ASN C 35 4.653 5.574 1.065 1.00 0.00 H new ATOM 0 HA ASN C 35 6.422 7.824 0.277 1.00 0.00 H new ATOM 0 HB2 ASN C 35 4.421 8.594 1.667 1.00 0.00 H new ATOM 0 HB3 ASN C 35 5.026 7.570 2.954 1.00 0.00 H new ATOM 0 HD21 ASN C 35 6.306 11.210 3.108 1.00 0.00 H new ATOM 0 HD22 ASN C 35 4.708 10.546 2.756 1.00 0.00 H new ATOM 1757 N ALA C 36 8.165 6.249 0.939 1.00 0.00 N ATOM 1758 CA ALA C 36 9.308 5.457 1.357 1.00 0.00 C ATOM 1759 C ALA C 36 10.599 6.125 0.893 1.00 0.00 C ATOM 1760 O ALA C 36 10.590 6.901 -0.061 1.00 0.00 O ATOM 1761 CB ALA C 36 9.207 4.070 0.730 1.00 0.00 C ATOM 0 H ALA C 36 8.313 6.747 0.061 1.00 0.00 H new ATOM 0 HA ALA C 36 9.316 5.377 2.444 1.00 0.00 H new ATOM 0 HB1 ALA C 36 10.062 3.468 1.039 1.00 0.00 H new ATOM 0 HB2 ALA C 36 8.286 3.588 1.059 1.00 0.00 H new ATOM 0 HB3 ALA C 36 9.201 4.161 -0.356 1.00 0.00 H new ATOM 1767 N PRO C 37 11.714 5.820 1.564 1.00 0.00 N ATOM 1768 CA PRO C 37 13.026 6.312 1.192 1.00 0.00 C ATOM 1769 C PRO C 37 13.441 5.770 -0.172 1.00 0.00 C ATOM 1770 O PRO C 37 12.937 4.745 -0.627 1.00 0.00 O ATOM 1771 CB PRO C 37 13.964 5.819 2.289 1.00 0.00 C ATOM 1772 CG PRO C 37 13.245 4.625 2.916 1.00 0.00 C ATOM 1773 CD PRO C 37 11.777 4.979 2.745 1.00 0.00 C ATOM 0 HA PRO C 37 13.045 7.398 1.105 1.00 0.00 H new ATOM 0 HB2 PRO C 37 14.931 5.527 1.880 1.00 0.00 H new ATOM 0 HB3 PRO C 37 14.152 6.599 3.027 1.00 0.00 H new ATOM 0 HG2 PRO C 37 13.496 3.692 2.411 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.510 4.501 3.966 1.00 0.00 H new ATOM 0 HD2 PRO C 37 11.169 4.083 2.621 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.396 5.504 3.621 1.00 0.00 H new ATOM 1781 N LYS C 38 14.376 6.457 -0.836 1.00 0.00 N ATOM 1782 CA LYS C 38 14.932 6.003 -2.107 1.00 0.00 C ATOM 1783 C LYS C 38 15.857 4.808 -1.887 1.00 0.00 C ATOM 1784 O LYS C 38 16.420 4.262 -2.832 1.00 0.00 O ATOM 1785 CB LYS C 38 15.664 7.167 -2.780 1.00 0.00 C ATOM 1786 CG LYS C 38 14.654 8.263 -3.144 1.00 0.00 C ATOM 1787 CD LYS C 38 13.784 7.834 -4.324 1.00 0.00 C ATOM 1788 CE LYS C 38 14.480 8.191 -5.635 1.00 0.00 C ATOM 1789 NZ LYS C 38 13.632 7.861 -6.797 1.00 0.00 N ATOM 0 H LYS C 38 14.765 7.340 -0.506 1.00 0.00 H new ATOM 0 HA LYS C 38 14.128 5.673 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS C 38 16.426 7.567 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS C 38 16.178 6.818 -3.676 1.00 0.00 H new ATOM 0 HG2 LYS C 38 14.023 8.482 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS C 38 15.184 9.183 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS C 38 13.599 6.761 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS C 38 12.813 8.327 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS C 38 14.718 9.255 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS C 38 15.425 7.652 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 14.131 8.114 -7.674 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 13.426 6.842 -6.798 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 12.741 8.394 -6.739 1.00 0.00 H new ATOM 1803 N ASP C 39 16.000 4.413 -0.620 1.00 0.00 N ATOM 1804 CA ASP C 39 16.726 3.223 -0.204 1.00 0.00 C ATOM 1805 C ASP C 39 15.952 1.950 -0.557 1.00 0.00 C ATOM 1806 O ASP C 39 16.474 0.846 -0.403 1.00 0.00 O ATOM 1807 CB ASP C 39 16.940 3.283 1.306 1.00 0.00 C ATOM 1808 CG ASP C 39 17.952 4.363 1.678 1.00 0.00 C ATOM 1809 OD1 ASP C 39 19.163 4.047 1.641 1.00 0.00 O ATOM 1810 OD2 ASP C 39 17.513 5.490 1.994 1.00 0.00 O ATOM 0 H ASP C 39 15.601 4.931 0.163 1.00 0.00 H new ATOM 0 HA ASP C 39 17.682 3.194 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP C 39 15.991 3.484 1.803 1.00 0.00 H new ATOM 0 HB3 ASP C 39 17.289 2.315 1.665 1.00 0.00 H new ATOM 1815 N VAL C 40 14.713 2.102 -1.031 1.00 0.00 N ATOM 1816 CA VAL C 40 13.859 0.991 -1.429 1.00 0.00 C ATOM 1817 C VAL C 40 13.163 1.339 -2.740 1.00 0.00 C ATOM 1818 O VAL C 40 13.199 2.490 -3.183 1.00 0.00 O ATOM 1819 CB VAL C 40 12.826 0.675 -0.337 1.00 0.00 C ATOM 1820 CG1 VAL C 40 13.511 0.386 1.001 1.00 0.00 C ATOM 1821 CG2 VAL C 40 11.863 1.836 -0.123 1.00 0.00 C ATOM 0 H VAL C 40 14.273 3.015 -1.149 1.00 0.00 H new ATOM 0 HA VAL C 40 14.474 0.102 -1.570 1.00 0.00 H new ATOM 0 HB VAL C 40 12.277 -0.202 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL C 40 12.756 0.166 1.756 1.00 0.00 H new ATOM 0 HG12 VAL C 40 14.176 -0.471 0.892 1.00 0.00 H new ATOM 0 HG13 VAL C 40 14.089 1.257 1.309 1.00 0.00 H new ATOM 0 HG21 VAL C 40 11.147 1.576 0.657 1.00 0.00 H new ATOM 0 HG22 VAL C 40 12.422 2.722 0.179 1.00 0.00 H new ATOM 0 HG23 VAL C 40 11.330 2.042 -1.051 1.00 0.00 H new ATOM 1831 N ALA C 41 12.528 0.353 -3.370 1.00 0.00 N ATOM 1832 CA ALA C 41 11.920 0.552 -4.672 1.00 0.00 C ATOM 1833 C ALA C 41 10.398 0.500 -4.589 1.00 0.00 C ATOM 1834 O ALA C 41 9.837 -0.088 -3.666 1.00 0.00 O ATOM 1835 CB ALA C 41 12.449 -0.522 -5.623 1.00 0.00 C ATOM 0 H ALA C 41 12.424 -0.590 -2.995 1.00 0.00 H new ATOM 0 HA ALA C 41 12.184 1.541 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA C 41 12.002 -0.388 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA C 41 13.533 -0.437 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA C 41 12.190 -1.508 -5.238 1.00 0.00 H new ATOM 1841 N VAL C 42 9.729 1.121 -5.564 1.00 0.00 N ATOM 1842 CA VAL C 42 8.278 1.082 -5.685 1.00 0.00 C ATOM 1843 C VAL C 42 7.897 1.345 -7.138 1.00 0.00 C ATOM 1844 O VAL C 42 8.290 2.360 -7.712 1.00 0.00 O ATOM 1845 CB VAL C 42 7.641 2.096 -4.718 1.00 0.00 C ATOM 1846 CG1 VAL C 42 8.422 3.409 -4.653 1.00 0.00 C ATOM 1847 CG2 VAL C 42 6.192 2.417 -5.092 1.00 0.00 C ATOM 0 H VAL C 42 10.186 1.667 -6.294 1.00 0.00 H new ATOM 0 HA VAL C 42 7.897 0.099 -5.408 1.00 0.00 H new ATOM 0 HB VAL C 42 7.667 1.614 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL C 42 7.932 4.090 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL C 42 9.438 3.211 -4.312 1.00 0.00 H new ATOM 0 HG13 VAL C 42 8.454 3.863 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL C 42 5.784 3.136 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL C 42 6.161 2.840 -6.096 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.598 1.503 -5.065 1.00 0.00 H new ATOM 1857 N HIS C 43 7.124 0.426 -7.728 1.00 0.00 N ATOM 1858 CA HIS C 43 6.679 0.546 -9.113 1.00 0.00 C ATOM 1859 C HIS C 43 5.341 -0.158 -9.289 1.00 0.00 C ATOM 1860 O HIS C 43 4.879 -0.853 -8.386 1.00 0.00 O ATOM 1861 CB HIS C 43 7.687 -0.089 -10.078 1.00 0.00 C ATOM 1862 CG HIS C 43 9.129 0.208 -9.782 1.00 0.00 C ATOM 1863 ND1 HIS C 43 9.862 1.259 -10.340 1.00 0.00 N ATOM 1864 CD2 HIS C 43 9.929 -0.505 -8.937 1.00 0.00 C ATOM 1865 CE1 HIS C 43 11.091 1.153 -9.809 1.00 0.00 C ATOM 1866 NE2 HIS C 43 11.161 0.106 -8.967 1.00 0.00 N ATOM 0 H HIS C 43 6.793 -0.416 -7.258 1.00 0.00 H new ATOM 0 HA HIS C 43 6.587 1.608 -9.339 1.00 0.00 H new ATOM 0 HB2 HIS C 43 7.545 -1.170 -10.067 1.00 0.00 H new ATOM 0 HB3 HIS C 43 7.462 0.252 -11.089 1.00 0.00 H new ATOM 0 HD1 HIS C 43 9.534 1.957 -11.007 1.00 0.00 H new ATOM 0 HD2 HIS C 43 9.651 -1.375 -8.360 1.00 0.00 H new ATOM 0 HE1 HIS C 43 11.913 1.819 -10.028 1.00 0.00 H new ATOM 1874 N ARG C 44 4.713 0.019 -10.452 1.00 0.00 N ATOM 1875 CA ARG C 44 3.461 -0.644 -10.764 1.00 0.00 C ATOM 1876 C ARG C 44 3.741 -2.122 -10.987 1.00 0.00 C ATOM 1877 O ARG C 44 4.883 -2.503 -11.242 1.00 0.00 O ATOM 1878 CB ARG C 44 2.854 -0.002 -12.011 1.00 0.00 C ATOM 1879 CG ARG C 44 2.404 1.428 -11.721 1.00 0.00 C ATOM 1880 CD ARG C 44 2.049 2.163 -13.011 1.00 0.00 C ATOM 1881 NE ARG C 44 1.055 1.422 -13.794 1.00 0.00 N ATOM 1882 CZ ARG C 44 1.274 0.934 -15.022 1.00 0.00 C ATOM 1883 NH1 ARG C 44 2.423 1.143 -15.654 1.00 0.00 N ATOM 1884 NH2 ARG C 44 0.327 0.228 -15.632 1.00 0.00 N ATOM 0 H ARG C 44 5.061 0.624 -11.196 1.00 0.00 H new ATOM 0 HA ARG C 44 2.749 -0.540 -9.945 1.00 0.00 H new ATOM 0 HB2 ARG C 44 3.587 -0.001 -12.818 1.00 0.00 H new ATOM 0 HB3 ARG C 44 2.004 -0.593 -12.353 1.00 0.00 H new ATOM 0 HG2 ARG C 44 1.540 1.413 -11.057 1.00 0.00 H new ATOM 0 HG3 ARG C 44 3.197 1.964 -11.200 1.00 0.00 H new ATOM 0 HD2 ARG C 44 1.661 3.153 -12.772 1.00 0.00 H new ATOM 0 HD3 ARG C 44 2.949 2.309 -13.608 1.00 0.00 H new ATOM 0 HE ARG C 44 0.137 1.268 -13.376 1.00 0.00 H new ATOM 0 HH11 ARG C 44 3.161 1.685 -15.205 1.00 0.00 H new ATOM 0 HH12 ARG C 44 2.568 0.762 -16.589 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -0.564 0.059 -15.165 1.00 0.00 H new ATOM 0 HH22 ARG C 44 0.491 -0.145 -16.567 1.00 0.00 H new ATOM 1898 N GLU C 45 2.706 -2.952 -10.898 1.00 0.00 N ATOM 1899 CA GLU C 45 2.876 -4.383 -11.087 1.00 0.00 C ATOM 1900 C GLU C 45 3.386 -4.683 -12.499 1.00 0.00 C ATOM 1901 O GLU C 45 3.929 -5.756 -12.752 1.00 0.00 O ATOM 1902 CB GLU C 45 1.548 -5.074 -10.759 1.00 0.00 C ATOM 1903 CG GLU C 45 1.624 -6.606 -10.757 1.00 0.00 C ATOM 1904 CD GLU C 45 1.461 -7.239 -12.140 1.00 0.00 C ATOM 1905 OE1 GLU C 45 1.065 -6.514 -13.081 1.00 0.00 O ATOM 1906 OE2 GLU C 45 1.730 -8.455 -12.239 1.00 0.00 O ATOM 0 H GLU C 45 1.750 -2.659 -10.698 1.00 0.00 H new ATOM 0 HA GLU C 45 3.635 -4.777 -10.412 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.207 -4.736 -9.780 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.798 -4.759 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU C 45 2.584 -6.911 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU C 45 0.850 -6.997 -10.096 1.00 0.00 H new ATOM 1913 N GLU C 46 3.211 -3.729 -13.421 1.00 0.00 N ATOM 1914 CA GLU C 46 3.694 -3.846 -14.786 1.00 0.00 C ATOM 1915 C GLU C 46 5.204 -3.620 -14.849 1.00 0.00 C ATOM 1916 O GLU C 46 5.933 -4.420 -15.437 1.00 0.00 O ATOM 1917 CB GLU C 46 2.973 -2.784 -15.623 1.00 0.00 C ATOM 1918 CG GLU C 46 3.391 -2.860 -17.095 1.00 0.00 C ATOM 1919 CD GLU C 46 2.548 -1.920 -17.956 1.00 0.00 C ATOM 1920 OE1 GLU C 46 2.565 -0.701 -17.670 1.00 0.00 O ATOM 1921 OE2 GLU C 46 1.896 -2.428 -18.894 1.00 0.00 O ATOM 0 H GLU C 46 2.726 -2.852 -13.231 1.00 0.00 H new ATOM 0 HA GLU C 46 3.493 -4.847 -15.169 1.00 0.00 H new ATOM 0 HB2 GLU C 46 1.895 -2.923 -15.541 1.00 0.00 H new ATOM 0 HB3 GLU C 46 3.198 -1.793 -15.229 1.00 0.00 H new ATOM 0 HG2 GLU C 46 4.445 -2.599 -17.191 1.00 0.00 H new ATOM 0 HG3 GLU C 46 3.282 -3.883 -17.455 1.00 0.00 H new ATOM 1928 N ILE C 47 5.682 -2.526 -14.247 1.00 0.00 N ATOM 1929 CA ILE C 47 7.088 -2.153 -14.290 1.00 0.00 C ATOM 1930 C ILE C 47 7.916 -3.116 -13.446 1.00 0.00 C ATOM 1931 O ILE C 47 9.085 -3.362 -13.744 1.00 0.00 O ATOM 1932 CB ILE C 47 7.251 -0.710 -13.785 1.00 0.00 C ATOM 1933 CG1 ILE C 47 6.905 0.326 -14.857 1.00 0.00 C ATOM 1934 CG2 ILE C 47 8.695 -0.420 -13.367 1.00 0.00 C ATOM 1935 CD1 ILE C 47 5.499 0.184 -15.435 1.00 0.00 C ATOM 0 H ILE C 47 5.099 -1.878 -13.717 1.00 0.00 H new ATOM 0 HA ILE C 47 7.446 -2.210 -15.318 1.00 0.00 H new ATOM 0 HB ILE C 47 6.568 -0.629 -12.940 1.00 0.00 H new ATOM 0 HG12 ILE C 47 7.011 1.323 -14.430 1.00 0.00 H new ATOM 0 HG13 ILE C 47 7.629 0.248 -15.668 1.00 0.00 H new ATOM 0 HG21 ILE C 47 8.772 0.609 -13.016 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.985 -1.100 -12.566 1.00 0.00 H new ATOM 0 HG23 ILE C 47 9.357 -0.562 -14.221 1.00 0.00 H new ATOM 0 HD11 ILE C 47 5.335 0.956 -16.187 1.00 0.00 H new ATOM 0 HD12 ILE C 47 5.392 -0.799 -15.894 1.00 0.00 H new ATOM 0 HD13 ILE C 47 4.765 0.293 -14.637 1.00 0.00 H new ATOM 1947 N TYR C 48 7.318 -3.669 -12.390 1.00 0.00 N ATOM 1948 CA TYR C 48 8.007 -4.562 -11.476 1.00 0.00 C ATOM 1949 C TYR C 48 8.532 -5.810 -12.185 1.00 0.00 C ATOM 1950 O TYR C 48 9.553 -6.363 -11.782 1.00 0.00 O ATOM 1951 CB TYR C 48 7.029 -4.940 -10.370 1.00 0.00 C ATOM 1952 CG TYR C 48 7.628 -5.793 -9.280 1.00 0.00 C ATOM 1953 CD1 TYR C 48 8.439 -5.205 -8.301 1.00 0.00 C ATOM 1954 CD2 TYR C 48 7.364 -7.170 -9.248 1.00 0.00 C ATOM 1955 CE1 TYR C 48 8.971 -5.985 -7.265 1.00 0.00 C ATOM 1956 CE2 TYR C 48 7.882 -7.955 -8.212 1.00 0.00 C ATOM 1957 CZ TYR C 48 8.679 -7.364 -7.207 1.00 0.00 C ATOM 1958 OH TYR C 48 9.168 -8.125 -6.192 1.00 0.00 O ATOM 0 H TYR C 48 6.340 -3.506 -12.150 1.00 0.00 H new ATOM 0 HA TYR C 48 8.878 -4.055 -11.061 1.00 0.00 H new ATOM 0 HB2 TYR C 48 6.631 -4.028 -9.925 1.00 0.00 H new ATOM 0 HB3 TYR C 48 6.187 -5.473 -10.812 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.655 -4.148 -8.344 1.00 0.00 H new ATOM 0 HD2 TYR C 48 6.762 -7.624 -10.021 1.00 0.00 H new ATOM 0 HE1 TYR C 48 9.602 -5.532 -6.514 1.00 0.00 H new ATOM 0 HE2 TYR C 48 7.672 -9.014 -8.181 1.00 0.00 H new ATOM 0 HH TYR C 48 8.870 -9.052 -6.305 1.00 0.00 H new