USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 457 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 THR OG1 : rot 180:sc= 0.164 USER MOD Set 1.2: A 37 ASN : amide:sc= 0 K(o=0.16,f=-1.3) USER MOD Set 2.1: A 16 SER OG : rot -122:sc= 1.3 USER MOD Set 2.2: A 18 LYS NZ :NH3+ 137:sc= 2.21 (180deg=0.945) USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.00761) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.0345 (180deg=-0.0371) USER MOD Single : A 3 CYS SG : rot 69:sc= 0.917 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 19 SER OG : rot 85:sc= 1.22 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0267 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= 1.06 (180deg=0.828) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -120:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.436 X(o=0.44,f=0) USER MOD Single : A 46 SER OG : rot 55:sc= 1.27 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00118 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.966 1.517 -7.955 1.00 0.00 N ATOM 2 CA MET A 1 -7.657 1.181 -6.704 1.00 0.00 C ATOM 3 C MET A 1 -7.448 -0.286 -6.273 1.00 0.00 C ATOM 4 O MET A 1 -7.717 -0.642 -5.123 1.00 0.00 O ATOM 5 CB MET A 1 -9.149 1.527 -6.871 1.00 0.00 C ATOM 6 CG MET A 1 -9.977 1.475 -5.577 1.00 0.00 C ATOM 7 SD MET A 1 -9.413 2.516 -4.196 1.00 0.00 S ATOM 8 CE MET A 1 -9.671 4.172 -4.893 1.00 0.00 C ATOM 0 H1 MET A 1 -7.087 2.530 -8.157 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.953 1.301 -7.861 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.368 0.958 -8.735 1.00 0.00 H new ATOM 0 HA MET A 1 -7.227 1.771 -5.895 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.229 2.528 -7.296 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.588 0.838 -7.593 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.002 1.758 -5.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.004 0.441 -5.233 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.421 4.925 -4.145 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.032 4.303 -5.767 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.715 4.285 -5.186 1.00 0.00 H new ATOM 18 N LEU A 2 -6.928 -1.132 -7.171 1.00 0.00 N ATOM 19 CA LEU A 2 -6.553 -2.530 -6.919 1.00 0.00 C ATOM 20 C LEU A 2 -5.041 -2.698 -6.748 1.00 0.00 C ATOM 21 O LEU A 2 -4.240 -2.004 -7.380 1.00 0.00 O ATOM 22 CB LEU A 2 -7.231 -3.480 -7.934 1.00 0.00 C ATOM 23 CG LEU A 2 -6.781 -3.522 -9.414 1.00 0.00 C ATOM 24 CD1 LEU A 2 -6.621 -2.151 -10.076 1.00 0.00 C ATOM 25 CD2 LEU A 2 -5.508 -4.336 -9.640 1.00 0.00 C ATOM 0 H LEU A 2 -6.749 -0.849 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.950 -2.837 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.129 -4.492 -7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.295 -3.243 -7.931 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.617 -4.026 -9.900 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.303 -2.281 -11.111 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.574 -1.622 -10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.872 -1.572 -9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.251 -4.323 -10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.691 -3.902 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.672 -5.365 -9.320 1.00 0.00 H new ATOM 37 N CYS A 3 -4.663 -3.633 -5.875 1.00 0.00 N ATOM 38 CA CYS A 3 -3.313 -3.792 -5.380 1.00 0.00 C ATOM 39 C CYS A 3 -2.236 -4.069 -6.439 1.00 0.00 C ATOM 40 O CYS A 3 -2.408 -4.911 -7.316 1.00 0.00 O ATOM 41 CB CYS A 3 -3.338 -4.825 -4.234 1.00 0.00 C ATOM 42 SG CYS A 3 -4.842 -4.826 -3.228 1.00 0.00 S ATOM 0 H CYS A 3 -5.314 -4.316 -5.487 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.988 -2.823 -5.001 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.205 -5.819 -4.660 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.484 -4.641 -3.582 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.838 -5.267 -3.937 1.00 0.00 H new ATOM 48 N ALA A 4 -1.080 -3.410 -6.295 1.00 0.00 N ATOM 49 CA ALA A 4 0.069 -3.681 -7.178 1.00 0.00 C ATOM 50 C ALA A 4 0.699 -5.066 -6.907 1.00 0.00 C ATOM 51 O ALA A 4 1.348 -5.650 -7.775 1.00 0.00 O ATOM 52 CB ALA A 4 1.126 -2.588 -7.058 1.00 0.00 C ATOM 0 H ALA A 4 -0.913 -2.695 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.315 -3.686 -8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.961 -2.815 -7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.691 -1.629 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.482 -2.538 -6.029 1.00 0.00 H new ATOM 58 N ILE A 5 0.516 -5.568 -5.679 1.00 0.00 N ATOM 59 CA ILE A 5 1.164 -6.766 -5.130 1.00 0.00 C ATOM 60 C ILE A 5 0.356 -8.042 -5.443 1.00 0.00 C ATOM 61 O ILE A 5 0.923 -8.996 -5.979 1.00 0.00 O ATOM 62 CB ILE A 5 1.440 -6.543 -3.621 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.527 -5.461 -3.433 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.902 -7.858 -2.961 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.657 -4.946 -1.991 1.00 0.00 C ATOM 0 H ILE A 5 -0.117 -5.130 -5.010 1.00 0.00 H new ATOM 0 HA ILE A 5 2.127 -6.928 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 5 0.516 -6.211 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.487 -5.867 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.304 -4.620 -4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.092 -7.686 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.124 -8.614 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.817 -8.205 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.441 -4.190 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.711 -4.508 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.912 -5.775 -1.330 1.00 0.00 H new ATOM 77 N SER A 6 -0.953 -8.069 -5.141 1.00 0.00 N ATOM 78 CA SER A 6 -1.838 -9.230 -5.385 1.00 0.00 C ATOM 79 C SER A 6 -3.067 -8.946 -6.252 1.00 0.00 C ATOM 80 O SER A 6 -3.653 -9.878 -6.810 1.00 0.00 O ATOM 81 CB SER A 6 -2.283 -9.880 -4.074 1.00 0.00 C ATOM 82 OG SER A 6 -3.308 -9.109 -3.476 1.00 0.00 O ATOM 0 H SER A 6 -1.436 -7.278 -4.715 1.00 0.00 H new ATOM 0 HA SER A 6 -1.214 -9.916 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.641 -10.892 -4.263 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.435 -9.964 -3.394 1.00 0.00 H new ATOM 0 HG SER A 6 -3.589 -9.532 -2.638 1.00 0.00 H new ATOM 88 N GLY A 7 -3.456 -7.675 -6.394 1.00 0.00 N ATOM 89 CA GLY A 7 -4.583 -7.259 -7.227 1.00 0.00 C ATOM 90 C GLY A 7 -5.967 -7.432 -6.601 1.00 0.00 C ATOM 91 O GLY A 7 -6.991 -7.340 -7.281 1.00 0.00 O ATOM 0 H GLY A 7 -2.989 -6.898 -5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.451 -6.209 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.552 -7.825 -8.158 1.00 0.00 H new ATOM 95 N LYS A 8 -5.976 -7.715 -5.302 1.00 0.00 N ATOM 96 CA LYS A 8 -7.133 -7.964 -4.439 1.00 0.00 C ATOM 97 C LYS A 8 -8.009 -6.713 -4.223 1.00 0.00 C ATOM 98 O LYS A 8 -7.617 -5.593 -4.552 1.00 0.00 O ATOM 99 CB LYS A 8 -6.492 -8.509 -3.150 1.00 0.00 C ATOM 100 CG LYS A 8 -7.436 -8.771 -1.977 1.00 0.00 C ATOM 101 CD LYS A 8 -6.654 -9.336 -0.790 1.00 0.00 C ATOM 102 CE LYS A 8 -7.592 -9.737 0.358 1.00 0.00 C ATOM 103 NZ LYS A 8 -8.367 -8.586 0.899 1.00 0.00 N ATOM 0 H LYS A 8 -5.103 -7.782 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.846 -8.665 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.980 -9.441 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.729 -7.802 -2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.934 -7.846 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.215 -9.472 -2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.078 -10.204 -1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.940 -8.593 -0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.284 -10.502 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.006 -10.184 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.983 -8.914 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.711 -7.866 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.950 -8.174 0.143 1.00 0.00 H new ATOM 117 N VAL A 9 -9.209 -6.910 -3.670 1.00 0.00 N ATOM 118 CA VAL A 9 -10.095 -5.843 -3.160 1.00 0.00 C ATOM 119 C VAL A 9 -9.617 -5.520 -1.729 1.00 0.00 C ATOM 120 O VAL A 9 -9.765 -6.369 -0.841 1.00 0.00 O ATOM 121 CB VAL A 9 -11.577 -6.279 -3.169 1.00 0.00 C ATOM 122 CG1 VAL A 9 -12.484 -5.162 -2.634 1.00 0.00 C ATOM 123 CG2 VAL A 9 -12.041 -6.618 -4.591 1.00 0.00 C ATOM 0 H VAL A 9 -9.609 -7.842 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.040 -4.962 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.651 -7.159 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.521 -5.496 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.198 -4.920 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.377 -4.276 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.088 -6.922 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.931 -5.741 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.435 -7.433 -4.987 1.00 0.00 H new ATOM 133 N PRO A 10 -8.975 -4.364 -1.482 1.00 0.00 N ATOM 134 CA PRO A 10 -8.303 -4.095 -0.212 1.00 0.00 C ATOM 135 C PRO A 10 -9.272 -3.855 0.960 1.00 0.00 C ATOM 136 O PRO A 10 -10.162 -3.005 0.883 1.00 0.00 O ATOM 137 CB PRO A 10 -7.416 -2.875 -0.489 1.00 0.00 C ATOM 138 CG PRO A 10 -8.175 -2.115 -1.574 1.00 0.00 C ATOM 139 CD PRO A 10 -8.777 -3.248 -2.402 1.00 0.00 C ATOM 0 HA PRO A 10 -7.727 -4.961 0.113 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.280 -2.267 0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.423 -3.170 -0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.943 -1.465 -1.154 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.513 -1.484 -2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.722 -2.942 -2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.112 -3.530 -3.218 1.00 0.00 H new ATOM 147 N ARG A 11 -9.083 -4.590 2.065 1.00 0.00 N ATOM 148 CA ARG A 11 -9.751 -4.363 3.357 1.00 0.00 C ATOM 149 C ARG A 11 -9.224 -3.098 4.033 1.00 0.00 C ATOM 150 O ARG A 11 -10.017 -2.335 4.582 1.00 0.00 O ATOM 151 CB ARG A 11 -9.572 -5.569 4.295 1.00 0.00 C ATOM 152 CG ARG A 11 -10.365 -6.795 3.816 1.00 0.00 C ATOM 153 CD ARG A 11 -10.202 -7.992 4.764 1.00 0.00 C ATOM 154 NE ARG A 11 -10.847 -7.756 6.072 1.00 0.00 N ATOM 155 CZ ARG A 11 -10.763 -8.515 7.151 1.00 0.00 C ATOM 156 NH1 ARG A 11 -10.067 -9.618 7.176 1.00 0.00 N ATOM 157 NH2 ARG A 11 -11.389 -8.176 8.243 1.00 0.00 N ATOM 0 H ARG A 11 -8.442 -5.383 2.086 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.814 -4.235 3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.514 -5.824 4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.896 -5.298 5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.421 -6.536 3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.031 -7.075 2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.633 -8.881 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.141 -8.193 4.914 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.420 -6.916 6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.563 -9.922 6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.027 -10.177 8.029 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.946 -7.322 8.267 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.321 -8.765 9.073 1.00 0.00 H new ATOM 171 N ARG A 12 -7.912 -2.847 3.951 1.00 0.00 N ATOM 172 CA ARG A 12 -7.271 -1.588 4.361 1.00 0.00 C ATOM 173 C ARG A 12 -6.462 -1.007 3.193 1.00 0.00 C ATOM 174 O ARG A 12 -5.273 -1.304 3.078 1.00 0.00 O ATOM 175 CB ARG A 12 -6.444 -1.800 5.643 1.00 0.00 C ATOM 176 CG ARG A 12 -7.356 -1.956 6.871 1.00 0.00 C ATOM 177 CD ARG A 12 -6.542 -2.102 8.162 1.00 0.00 C ATOM 178 NE ARG A 12 -7.425 -2.230 9.338 1.00 0.00 N ATOM 179 CZ ARG A 12 -8.010 -1.266 10.029 1.00 0.00 C ATOM 180 NH1 ARG A 12 -7.864 -0.004 9.736 1.00 0.00 N ATOM 181 NH2 ARG A 12 -8.771 -1.555 11.045 1.00 0.00 N ATOM 0 H ARG A 12 -7.248 -3.531 3.588 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.029 -0.846 4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.820 -2.687 5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.772 -0.954 5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.013 -1.090 6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.995 -2.830 6.742 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.897 -2.978 8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.892 -1.236 8.285 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.607 -3.181 9.658 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.280 0.272 8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.334 0.707 10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.918 -2.529 11.311 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.220 -0.808 11.575 1.00 0.00 H new ATOM 195 N PRO A 13 -7.083 -0.210 2.299 1.00 0.00 N ATOM 196 CA PRO A 13 -6.404 0.468 1.201 1.00 0.00 C ATOM 197 C PRO A 13 -5.268 1.338 1.725 1.00 0.00 C ATOM 198 O PRO A 13 -5.416 2.146 2.638 1.00 0.00 O ATOM 199 CB PRO A 13 -7.468 1.258 0.430 1.00 0.00 C ATOM 200 CG PRO A 13 -8.638 1.331 1.405 1.00 0.00 C ATOM 201 CD PRO A 13 -8.506 0.005 2.141 1.00 0.00 C ATOM 0 HA PRO A 13 -5.931 -0.242 0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.111 2.251 0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.748 0.755 -0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.557 2.184 2.079 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.595 1.421 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.007 0.042 3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.965 -0.805 1.575 1.00 0.00 H new ATOM 209 N VAL A 14 -4.104 1.115 1.147 1.00 0.00 N ATOM 210 CA VAL A 14 -2.807 1.643 1.573 1.00 0.00 C ATOM 211 C VAL A 14 -1.985 2.046 0.352 1.00 0.00 C ATOM 212 O VAL A 14 -2.033 1.389 -0.684 1.00 0.00 O ATOM 213 CB VAL A 14 -2.124 0.576 2.462 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.607 0.472 2.347 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.438 0.863 3.932 1.00 0.00 C ATOM 0 H VAL A 14 -4.025 0.526 0.318 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.915 2.549 2.169 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.531 -0.368 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.244 -0.308 3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.336 0.225 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.155 1.425 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.958 0.112 4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.064 1.852 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.516 0.830 4.087 1.00 0.00 H new ATOM 225 N LEU A 15 -1.240 3.143 0.461 1.00 0.00 N ATOM 226 CA LEU A 15 -0.461 3.761 -0.616 1.00 0.00 C ATOM 227 C LEU A 15 0.950 4.137 -0.128 1.00 0.00 C ATOM 228 O LEU A 15 1.184 4.336 1.065 1.00 0.00 O ATOM 229 CB LEU A 15 -1.285 4.970 -1.129 1.00 0.00 C ATOM 230 CG LEU A 15 -0.638 5.878 -2.201 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.707 6.470 -3.123 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.109 7.069 -1.591 1.00 0.00 C ATOM 0 H LEU A 15 -1.157 3.651 1.342 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.293 3.070 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.223 4.589 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.538 5.592 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 15 0.059 5.239 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.232 7.106 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.244 5.663 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.407 7.063 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.543 7.673 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.587 7.677 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.902 6.705 -0.938 1.00 0.00 H new ATOM 244 N SER A 16 1.885 4.262 -1.069 1.00 0.00 N ATOM 245 CA SER A 16 3.228 4.821 -0.880 1.00 0.00 C ATOM 246 C SER A 16 3.490 5.837 -2.008 1.00 0.00 C ATOM 247 O SER A 16 3.283 5.495 -3.182 1.00 0.00 O ATOM 248 CB SER A 16 4.286 3.715 -0.864 1.00 0.00 C ATOM 249 OG SER A 16 5.576 4.249 -1.098 1.00 0.00 O ATOM 0 H SER A 16 1.721 3.963 -2.030 1.00 0.00 H new ATOM 0 HA SER A 16 3.290 5.325 0.085 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.269 3.203 0.098 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.052 2.971 -1.625 1.00 0.00 H new ATOM 0 HG SER A 16 5.973 3.814 -1.882 1.00 0.00 H new ATOM 255 N PRO A 17 3.912 7.085 -1.704 1.00 0.00 N ATOM 256 CA PRO A 17 4.179 8.140 -2.696 1.00 0.00 C ATOM 257 C PRO A 17 5.187 7.803 -3.811 1.00 0.00 C ATOM 258 O PRO A 17 5.281 8.551 -4.787 1.00 0.00 O ATOM 259 CB PRO A 17 4.682 9.342 -1.890 1.00 0.00 C ATOM 260 CG PRO A 17 4.039 9.152 -0.522 1.00 0.00 C ATOM 261 CD PRO A 17 4.047 7.635 -0.359 1.00 0.00 C ATOM 0 HA PRO A 17 3.254 8.314 -3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.770 9.353 -1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.381 10.285 -2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.607 9.647 0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.028 9.558 -0.489 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.972 7.298 0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.228 7.307 0.281 1.00 0.00 H new ATOM 269 N LYS A 18 5.946 6.706 -3.688 1.00 0.00 N ATOM 270 CA LYS A 18 6.899 6.217 -4.700 1.00 0.00 C ATOM 271 C LYS A 18 6.177 5.376 -5.757 1.00 0.00 C ATOM 272 O LYS A 18 6.200 5.703 -6.943 1.00 0.00 O ATOM 273 CB LYS A 18 8.023 5.394 -4.046 1.00 0.00 C ATOM 274 CG LYS A 18 8.599 5.982 -2.749 1.00 0.00 C ATOM 275 CD LYS A 18 9.764 5.100 -2.277 1.00 0.00 C ATOM 276 CE LYS A 18 10.009 5.148 -0.766 1.00 0.00 C ATOM 277 NZ LYS A 18 8.950 4.419 -0.024 1.00 0.00 N ATOM 0 H LYS A 18 5.915 6.115 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 18 7.346 7.084 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.643 4.394 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.834 5.281 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.943 7.002 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.827 6.029 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.568 4.069 -2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.673 5.410 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.981 4.711 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.040 6.186 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.384 3.848 0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.289 5.102 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.434 3.796 -0.678 1.00 0.00 H new ATOM 291 N SER A 19 5.512 4.311 -5.307 1.00 0.00 N ATOM 292 CA SER A 19 4.703 3.388 -6.120 1.00 0.00 C ATOM 293 C SER A 19 3.457 4.020 -6.761 1.00 0.00 C ATOM 294 O SER A 19 3.027 3.555 -7.818 1.00 0.00 O ATOM 295 CB SER A 19 4.260 2.203 -5.258 1.00 0.00 C ATOM 296 OG SER A 19 5.372 1.397 -4.929 1.00 0.00 O ATOM 0 H SER A 19 5.520 4.052 -4.320 1.00 0.00 H new ATOM 0 HA SER A 19 5.350 3.078 -6.941 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.782 2.565 -4.348 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.518 1.611 -5.794 1.00 0.00 H new ATOM 0 HG SER A 19 5.821 1.765 -4.140 1.00 0.00 H new ATOM 302 N ARG A 20 2.887 5.079 -6.159 1.00 0.00 N ATOM 303 CA ARG A 20 1.708 5.844 -6.650 1.00 0.00 C ATOM 304 C ARG A 20 0.536 4.956 -7.120 1.00 0.00 C ATOM 305 O ARG A 20 -0.074 5.173 -8.170 1.00 0.00 O ATOM 306 CB ARG A 20 2.146 6.874 -7.717 1.00 0.00 C ATOM 307 CG ARG A 20 3.169 7.888 -7.174 1.00 0.00 C ATOM 308 CD ARG A 20 3.573 8.936 -8.217 1.00 0.00 C ATOM 309 NE ARG A 20 2.458 9.846 -8.558 1.00 0.00 N ATOM 310 CZ ARG A 20 2.442 10.762 -9.510 1.00 0.00 C ATOM 311 NH1 ARG A 20 3.468 10.971 -10.288 1.00 0.00 N ATOM 312 NH2 ARG A 20 1.385 11.495 -9.704 1.00 0.00 N ATOM 0 H ARG A 20 3.245 5.448 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 20 1.302 6.387 -5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.578 6.348 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.269 7.408 -8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.749 8.391 -6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.058 7.356 -6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.412 9.519 -7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.918 8.433 -9.120 1.00 0.00 H new ATOM 0 HE ARG A 20 1.610 9.757 -7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.317 10.419 -10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.421 11.687 -11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.560 11.365 -9.119 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.381 12.200 -10.441 1.00 0.00 H new ATOM 326 N THR A 21 0.222 3.951 -6.307 1.00 0.00 N ATOM 327 CA THR A 21 -0.868 2.965 -6.454 1.00 0.00 C ATOM 328 C THR A 21 -1.562 2.763 -5.094 1.00 0.00 C ATOM 329 O THR A 21 -1.089 3.286 -4.083 1.00 0.00 O ATOM 330 CB THR A 21 -0.307 1.632 -6.990 1.00 0.00 C ATOM 331 OG1 THR A 21 -1.359 0.756 -7.323 1.00 0.00 O ATOM 332 CG2 THR A 21 0.589 0.953 -5.956 1.00 0.00 C ATOM 0 H THR A 21 0.761 3.783 -5.457 1.00 0.00 H new ATOM 0 HA THR A 21 -1.602 3.335 -7.170 1.00 0.00 H new ATOM 0 HB THR A 21 0.283 1.860 -7.878 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.989 -0.085 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.969 0.016 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.425 1.609 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.013 0.749 -5.053 1.00 0.00 H new ATOM 340 N ILE A 22 -2.651 1.990 -5.036 1.00 0.00 N ATOM 341 CA ILE A 22 -3.294 1.583 -3.780 1.00 0.00 C ATOM 342 C ILE A 22 -3.280 0.058 -3.721 1.00 0.00 C ATOM 343 O ILE A 22 -3.901 -0.613 -4.543 1.00 0.00 O ATOM 344 CB ILE A 22 -4.715 2.164 -3.642 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.701 3.710 -3.686 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.365 1.679 -2.331 1.00 0.00 C ATOM 347 CD1 ILE A 22 -6.089 4.357 -3.759 1.00 0.00 C ATOM 0 H ILE A 22 -3.116 1.625 -5.867 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.740 1.986 -2.932 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.303 1.808 -4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.187 4.081 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.119 4.031 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.368 2.097 -2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.424 0.591 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.763 2.006 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.984 5.442 -3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.601 4.019 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.670 4.071 -2.883 1.00 0.00 H new ATOM 359 N PHE A 23 -2.578 -0.478 -2.729 1.00 0.00 N ATOM 360 CA PHE A 23 -2.516 -1.896 -2.381 1.00 0.00 C ATOM 361 C PHE A 23 -3.197 -2.173 -1.047 1.00 0.00 C ATOM 362 O PHE A 23 -3.582 -1.279 -0.295 1.00 0.00 O ATOM 363 CB PHE A 23 -1.077 -2.481 -2.447 1.00 0.00 C ATOM 364 CG PHE A 23 0.064 -1.491 -2.364 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.193 -0.683 -1.236 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.977 -1.357 -3.416 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.146 0.353 -1.208 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.955 -0.352 -3.388 1.00 0.00 C ATOM 369 CZ PHE A 23 2.029 0.520 -2.290 1.00 0.00 C ATOM 0 H PHE A 23 -2.004 0.096 -2.111 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.078 -2.428 -3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.964 -3.199 -1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.978 -3.037 -3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.441 -0.852 -0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.928 -2.033 -4.257 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.199 1.017 -0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.649 -0.249 -4.209 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.760 1.315 -2.276 1.00 0.00 H new ATOM 379 N GLU A 24 -3.395 -3.457 -0.788 1.00 0.00 N ATOM 380 CA GLU A 24 -3.925 -3.931 0.480 1.00 0.00 C ATOM 381 C GLU A 24 -2.805 -3.801 1.538 1.00 0.00 C ATOM 382 O GLU A 24 -1.677 -4.240 1.287 1.00 0.00 O ATOM 383 CB GLU A 24 -4.513 -5.341 0.276 1.00 0.00 C ATOM 384 CG GLU A 24 -4.729 -6.185 1.534 1.00 0.00 C ATOM 385 CD GLU A 24 -6.014 -5.770 2.241 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.051 -4.668 2.831 1.00 0.00 O ATOM 387 OE2 GLU A 24 -7.017 -6.511 2.124 1.00 0.00 O ATOM 0 H GLU A 24 -3.191 -4.202 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.758 -3.337 0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.471 -5.239 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.852 -5.891 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.779 -7.241 1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.881 -6.066 2.209 1.00 0.00 H new ATOM 394 N LYS A 25 -3.085 -3.211 2.715 1.00 0.00 N ATOM 395 CA LYS A 25 -2.142 -3.026 3.833 1.00 0.00 C ATOM 396 C LYS A 25 -1.400 -4.322 4.097 1.00 0.00 C ATOM 397 O LYS A 25 -0.179 -4.330 4.233 1.00 0.00 O ATOM 398 CB LYS A 25 -2.898 -2.590 5.101 1.00 0.00 C ATOM 399 CG LYS A 25 -1.957 -2.355 6.299 1.00 0.00 C ATOM 400 CD LYS A 25 -2.728 -1.793 7.497 1.00 0.00 C ATOM 401 CE LYS A 25 -1.814 -1.492 8.694 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.378 -2.715 9.420 1.00 0.00 N ATOM 0 H LYS A 25 -4.011 -2.836 2.921 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.426 -2.249 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.451 -1.674 4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.631 -3.353 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.476 -3.292 6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.165 -1.663 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.243 -0.880 7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.494 -2.507 7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.934 -0.952 8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.338 -0.833 9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.048 -2.455 10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.178 -3.375 9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.603 -3.171 8.898 1.00 0.00 H new ATOM 416 N SER A 26 -2.159 -5.416 4.123 1.00 0.00 N ATOM 417 CA SER A 26 -1.661 -6.742 4.462 1.00 0.00 C ATOM 418 C SER A 26 -0.540 -7.234 3.536 1.00 0.00 C ATOM 419 O SER A 26 0.411 -7.860 4.003 1.00 0.00 O ATOM 420 CB SER A 26 -2.800 -7.769 4.488 1.00 0.00 C ATOM 421 OG SER A 26 -3.863 -7.312 5.311 1.00 0.00 O ATOM 0 H SER A 26 -3.155 -5.402 3.905 1.00 0.00 H new ATOM 0 HA SER A 26 -1.230 -6.645 5.459 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.165 -7.942 3.476 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.428 -8.724 4.860 1.00 0.00 H new ATOM 0 HG SER A 26 -4.582 -7.977 5.316 1.00 0.00 H new ATOM 427 N LEU A 27 -0.621 -6.939 2.231 1.00 0.00 N ATOM 428 CA LEU A 27 0.395 -7.352 1.252 1.00 0.00 C ATOM 429 C LEU A 27 1.621 -6.436 1.316 1.00 0.00 C ATOM 430 O LEU A 27 2.748 -6.923 1.218 1.00 0.00 O ATOM 431 CB LEU A 27 -0.121 -7.385 -0.205 1.00 0.00 C ATOM 432 CG LEU A 27 -1.626 -7.290 -0.470 1.00 0.00 C ATOM 433 CD1 LEU A 27 -1.844 -6.911 -1.923 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.397 -8.562 -0.121 1.00 0.00 C ATOM 0 H LEU A 27 -1.391 -6.408 1.825 1.00 0.00 H new ATOM 0 HA LEU A 27 0.662 -8.371 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.358 -6.566 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.233 -8.312 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.025 -6.522 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.913 -6.840 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.373 -5.949 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.403 -7.672 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.456 -8.416 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.017 -9.393 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.270 -8.786 0.938 1.00 0.00 H new ATOM 446 N LEU A 28 1.419 -5.121 1.481 1.00 0.00 N ATOM 447 CA LEU A 28 2.546 -4.192 1.610 1.00 0.00 C ATOM 448 C LEU A 28 3.344 -4.532 2.877 1.00 0.00 C ATOM 449 O LEU A 28 4.563 -4.642 2.824 1.00 0.00 O ATOM 450 CB LEU A 28 2.107 -2.718 1.625 1.00 0.00 C ATOM 451 CG LEU A 28 3.329 -1.768 1.549 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.942 -1.744 0.148 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.925 -0.355 1.962 1.00 0.00 C ATOM 0 H LEU A 28 0.499 -4.683 1.528 1.00 0.00 H new ATOM 0 HA LEU A 28 3.176 -4.314 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.441 -2.526 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.540 -2.514 2.534 1.00 0.00 H new ATOM 0 HG LEU A 28 4.083 -2.147 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.796 -1.067 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.271 -2.747 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.197 -1.401 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.792 0.303 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.147 0.011 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.547 -0.369 2.984 1.00 0.00 H new ATOM 465 N GLU A 29 2.652 -4.760 3.997 1.00 0.00 N ATOM 466 CA GLU A 29 3.225 -5.171 5.283 1.00 0.00 C ATOM 467 C GLU A 29 4.063 -6.455 5.151 1.00 0.00 C ATOM 468 O GLU A 29 5.184 -6.531 5.655 1.00 0.00 O ATOM 469 CB GLU A 29 2.078 -5.317 6.296 1.00 0.00 C ATOM 470 CG GLU A 29 2.557 -5.509 7.739 1.00 0.00 C ATOM 471 CD GLU A 29 1.361 -5.546 8.711 1.00 0.00 C ATOM 472 OE1 GLU A 29 0.596 -4.553 8.779 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.191 -6.563 9.425 1.00 0.00 O ATOM 0 H GLU A 29 1.638 -4.660 4.035 1.00 0.00 H new ATOM 0 HA GLU A 29 3.919 -4.410 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.445 -4.431 6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.458 -6.167 6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.125 -6.436 7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.231 -4.698 8.015 1.00 0.00 H new ATOM 480 N GLN A 30 3.573 -7.443 4.395 1.00 0.00 N ATOM 481 CA GLN A 30 4.341 -8.649 4.071 1.00 0.00 C ATOM 482 C GLN A 30 5.643 -8.303 3.330 1.00 0.00 C ATOM 483 O GLN A 30 6.732 -8.695 3.752 1.00 0.00 O ATOM 484 CB GLN A 30 3.468 -9.606 3.243 1.00 0.00 C ATOM 485 CG GLN A 30 4.070 -11.016 3.167 1.00 0.00 C ATOM 486 CD GLN A 30 3.171 -11.966 2.380 1.00 0.00 C ATOM 487 OE1 GLN A 30 3.278 -12.114 1.169 1.00 0.00 O ATOM 488 NE2 GLN A 30 2.250 -12.650 3.026 1.00 0.00 N ATOM 0 H GLN A 30 2.636 -7.429 3.992 1.00 0.00 H new ATOM 0 HA GLN A 30 4.626 -9.143 5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.472 -9.661 3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.350 -9.208 2.235 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.052 -10.969 2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.218 -11.404 4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.146 -12.540 4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.640 -13.290 2.518 1.00 0.00 H new ATOM 497 N TYR A 31 5.533 -7.538 2.240 1.00 0.00 N ATOM 498 CA TYR A 31 6.632 -7.219 1.325 1.00 0.00 C ATOM 499 C TYR A 31 7.701 -6.329 1.980 1.00 0.00 C ATOM 500 O TYR A 31 8.904 -6.474 1.747 1.00 0.00 O ATOM 501 CB TYR A 31 6.028 -6.553 0.082 1.00 0.00 C ATOM 502 CG TYR A 31 7.001 -6.319 -1.056 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.651 -7.409 -1.665 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.244 -5.018 -1.527 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.512 -7.204 -2.762 1.00 0.00 C ATOM 506 CE2 TYR A 31 8.154 -4.811 -2.580 1.00 0.00 C ATOM 507 CZ TYR A 31 8.782 -5.899 -3.212 1.00 0.00 C ATOM 508 OH TYR A 31 9.638 -5.675 -4.248 1.00 0.00 O ATOM 0 H TYR A 31 4.650 -7.111 1.962 1.00 0.00 H new ATOM 0 HA TYR A 31 7.150 -8.137 1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.209 -7.173 -0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.597 -5.595 0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.489 -8.409 -1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.733 -4.178 -1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.965 -8.050 -3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.373 -3.805 -2.907 1.00 0.00 H new ATOM 0 HH TYR A 31 9.700 -4.712 -4.419 1.00 0.00 H new ATOM 518 N VAL A 32 7.263 -5.435 2.867 1.00 0.00 N ATOM 519 CA VAL A 32 8.118 -4.456 3.542 1.00 0.00 C ATOM 520 C VAL A 32 8.837 -5.039 4.777 1.00 0.00 C ATOM 521 O VAL A 32 9.843 -4.508 5.248 1.00 0.00 O ATOM 522 CB VAL A 32 7.282 -3.196 3.849 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.473 -3.315 5.143 1.00 0.00 C ATOM 524 CG2 VAL A 32 8.095 -1.913 3.962 1.00 0.00 C ATOM 0 H VAL A 32 6.283 -5.369 3.143 1.00 0.00 H new ATOM 0 HA VAL A 32 8.933 -4.172 2.877 1.00 0.00 H new ATOM 0 HB VAL A 32 6.624 -3.133 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.907 -2.398 5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.785 -4.157 5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.150 -3.475 5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.429 -1.078 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.824 -2.014 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.615 -1.728 3.022 1.00 0.00 H new ATOM 534 N LYS A 33 8.356 -6.173 5.286 1.00 0.00 N ATOM 535 CA LYS A 33 9.040 -7.004 6.305 1.00 0.00 C ATOM 536 C LYS A 33 9.970 -8.034 5.655 1.00 0.00 C ATOM 537 O LYS A 33 10.913 -8.523 6.277 1.00 0.00 O ATOM 538 CB LYS A 33 8.003 -7.708 7.189 1.00 0.00 C ATOM 539 CG LYS A 33 7.310 -6.668 8.069 1.00 0.00 C ATOM 540 CD LYS A 33 6.194 -7.294 8.916 1.00 0.00 C ATOM 541 CE LYS A 33 5.476 -6.252 9.786 1.00 0.00 C ATOM 542 NZ LYS A 33 6.329 -5.757 10.901 1.00 0.00 N ATOM 0 H LYS A 33 7.456 -6.559 5.000 1.00 0.00 H new ATOM 0 HA LYS A 33 9.652 -6.346 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.270 -8.226 6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.487 -8.463 7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.044 -6.198 8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.892 -5.881 7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.471 -7.779 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.616 -8.070 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.172 -5.410 9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.566 -6.690 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.800 -5.057 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.598 -6.554 11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.186 -5.314 10.512 1.00 0.00 H new ATOM 556 N ASP A 34 9.710 -8.327 4.385 1.00 0.00 N ATOM 557 CA ASP A 34 10.507 -9.203 3.511 1.00 0.00 C ATOM 558 C ASP A 34 11.825 -8.534 3.097 1.00 0.00 C ATOM 559 O ASP A 34 12.912 -9.064 3.341 1.00 0.00 O ATOM 560 CB ASP A 34 9.706 -9.573 2.250 1.00 0.00 C ATOM 561 CG ASP A 34 9.437 -11.084 2.151 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.417 -11.863 2.068 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.255 -11.504 2.127 1.00 0.00 O ATOM 0 H ASP A 34 8.896 -7.943 3.905 1.00 0.00 H new ATOM 0 HA ASP A 34 10.739 -10.106 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.757 -9.037 2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.253 -9.245 1.366 1.00 0.00 H new ATOM 568 N THR A 35 11.717 -7.358 2.465 1.00 0.00 N ATOM 569 CA THR A 35 12.846 -6.578 1.924 1.00 0.00 C ATOM 570 C THR A 35 12.767 -5.103 2.299 1.00 0.00 C ATOM 571 O THR A 35 13.777 -4.398 2.275 1.00 0.00 O ATOM 572 CB THR A 35 12.907 -6.657 0.389 1.00 0.00 C ATOM 573 OG1 THR A 35 11.722 -6.132 -0.173 1.00 0.00 O ATOM 574 CG2 THR A 35 13.108 -8.074 -0.146 1.00 0.00 C ATOM 0 H THR A 35 10.816 -6.906 2.310 1.00 0.00 H new ATOM 0 HA THR A 35 13.738 -7.023 2.366 1.00 0.00 H new ATOM 0 HB THR A 35 13.777 -6.069 0.098 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.772 -6.185 -1.150 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.141 -8.050 -1.235 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.045 -8.478 0.237 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.281 -8.706 0.178 1.00 0.00 H new ATOM 582 N GLY A 36 11.567 -4.622 2.638 1.00 0.00 N ATOM 583 CA GLY A 36 11.278 -3.208 2.843 1.00 0.00 C ATOM 584 C GLY A 36 10.947 -2.462 1.549 1.00 0.00 C ATOM 585 O GLY A 36 10.460 -1.341 1.603 1.00 0.00 O ATOM 0 H GLY A 36 10.754 -5.222 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.440 -3.112 3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.137 -2.734 3.317 1.00 0.00 H new ATOM 589 N ASN A 37 11.185 -3.044 0.380 1.00 0.00 N ATOM 590 CA ASN A 37 11.084 -2.337 -0.889 1.00 0.00 C ATOM 591 C ASN A 37 9.645 -1.900 -1.230 1.00 0.00 C ATOM 592 O ASN A 37 8.662 -2.471 -0.757 1.00 0.00 O ATOM 593 CB ASN A 37 11.629 -3.275 -1.980 1.00 0.00 C ATOM 594 CG ASN A 37 13.130 -3.527 -1.899 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.892 -2.818 -1.256 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.608 -4.552 -2.568 1.00 0.00 N ATOM 0 H ASN A 37 11.454 -4.023 0.286 1.00 0.00 H new ATOM 0 HA ASN A 37 11.662 -1.416 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.108 -4.230 -1.915 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.396 -2.851 -2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.608 -4.752 -2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.979 -5.148 -3.106 1.00 0.00 H new ATOM 603 N ASP A 38 9.521 -0.875 -2.068 1.00 0.00 N ATOM 604 CA ASP A 38 8.258 -0.488 -2.712 1.00 0.00 C ATOM 605 C ASP A 38 8.033 -1.445 -3.905 1.00 0.00 C ATOM 606 O ASP A 38 8.972 -1.688 -4.665 1.00 0.00 O ATOM 607 CB ASP A 38 8.338 0.955 -3.229 1.00 0.00 C ATOM 608 CG ASP A 38 7.545 1.910 -2.339 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.931 2.136 -1.171 1.00 0.00 O ATOM 610 OD2 ASP A 38 6.515 2.444 -2.808 1.00 0.00 O ATOM 0 H ASP A 38 10.305 -0.276 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 38 7.439 -0.550 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.380 1.272 -3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.953 1.000 -4.248 1.00 0.00 H new ATOM 615 N PRO A 39 6.831 -2.003 -4.129 1.00 0.00 N ATOM 616 CA PRO A 39 6.617 -3.078 -5.111 1.00 0.00 C ATOM 617 C PRO A 39 6.816 -2.674 -6.589 1.00 0.00 C ATOM 618 O PRO A 39 6.749 -3.541 -7.464 1.00 0.00 O ATOM 619 CB PRO A 39 5.191 -3.570 -4.846 1.00 0.00 C ATOM 620 CG PRO A 39 4.505 -2.334 -4.272 1.00 0.00 C ATOM 621 CD PRO A 39 5.600 -1.714 -3.414 1.00 0.00 C ATOM 0 HA PRO A 39 7.374 -3.851 -4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.706 -3.914 -5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.175 -4.404 -4.144 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.171 -1.655 -5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.627 -2.595 -3.682 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.452 -0.640 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.612 -2.145 -2.413 1.00 0.00 H new ATOM 629 N ILE A 40 7.057 -1.387 -6.892 1.00 0.00 N ATOM 630 CA ILE A 40 7.184 -0.851 -8.262 1.00 0.00 C ATOM 631 C ILE A 40 8.547 -0.182 -8.480 1.00 0.00 C ATOM 632 O ILE A 40 9.218 -0.469 -9.473 1.00 0.00 O ATOM 633 CB ILE A 40 5.990 0.087 -8.562 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.715 -0.762 -8.791 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.228 0.989 -9.789 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.431 0.022 -8.521 1.00 0.00 C ATOM 0 H ILE A 40 7.172 -0.671 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 40 7.146 -1.672 -8.978 1.00 0.00 H new ATOM 0 HB ILE A 40 5.872 0.742 -7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.705 -1.126 -9.818 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.745 -1.638 -8.143 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.356 1.624 -9.949 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.105 1.613 -9.617 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.392 0.369 -10.670 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.568 -0.621 -8.697 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.424 0.364 -7.486 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.384 0.883 -9.187 1.00 0.00 H new ATOM 648 N THR A 41 8.977 0.687 -7.559 1.00 0.00 N ATOM 649 CA THR A 41 10.280 1.379 -7.645 1.00 0.00 C ATOM 650 C THR A 41 11.431 0.599 -6.997 1.00 0.00 C ATOM 651 O THR A 41 12.599 0.944 -7.191 1.00 0.00 O ATOM 652 CB THR A 41 10.236 2.781 -7.029 1.00 0.00 C ATOM 653 OG1 THR A 41 9.752 2.679 -5.719 1.00 0.00 O ATOM 654 CG2 THR A 41 9.304 3.728 -7.786 1.00 0.00 C ATOM 0 H THR A 41 8.436 0.935 -6.731 1.00 0.00 H new ATOM 0 HA THR A 41 10.474 1.454 -8.715 1.00 0.00 H new ATOM 0 HB THR A 41 11.248 3.184 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.932 3.209 -5.631 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.312 4.707 -7.306 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.644 3.827 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.291 3.327 -7.775 1.00 0.00 H new ATOM 662 N ASN A 42 11.117 -0.451 -6.226 1.00 0.00 N ATOM 663 CA ASN A 42 11.993 -1.210 -5.340 1.00 0.00 C ATOM 664 C ASN A 42 12.880 -0.360 -4.411 1.00 0.00 C ATOM 665 O ASN A 42 13.929 -0.810 -3.944 1.00 0.00 O ATOM 666 CB ASN A 42 12.649 -2.382 -6.081 1.00 0.00 C ATOM 667 CG ASN A 42 13.789 -2.014 -7.020 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.692 -2.137 -8.235 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.923 -1.600 -6.499 1.00 0.00 N ATOM 0 H ASN A 42 10.165 -0.817 -6.209 1.00 0.00 H new ATOM 0 HA ASN A 42 11.368 -1.687 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.025 -3.090 -5.342 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.881 -2.899 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.714 -1.384 -7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.012 -1.495 -5.488 1.00 0.00 H new ATOM 676 N GLU A 43 12.442 0.865 -4.111 1.00 0.00 N ATOM 677 CA GLU A 43 13.123 1.747 -3.158 1.00 0.00 C ATOM 678 C GLU A 43 12.972 1.201 -1.724 1.00 0.00 C ATOM 679 O GLU A 43 11.846 0.881 -1.331 1.00 0.00 O ATOM 680 CB GLU A 43 12.507 3.142 -3.254 1.00 0.00 C ATOM 681 CG GLU A 43 12.809 3.824 -4.593 1.00 0.00 C ATOM 682 CD GLU A 43 13.880 4.922 -4.448 1.00 0.00 C ATOM 683 OE1 GLU A 43 15.077 4.583 -4.280 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.537 6.127 -4.498 1.00 0.00 O ATOM 0 H GLU A 43 11.603 1.275 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 43 14.185 1.794 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.427 3.069 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.887 3.760 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.148 3.078 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.894 4.260 -4.993 1.00 0.00 H new ATOM 691 N PRO A 44 14.057 1.068 -0.935 1.00 0.00 N ATOM 692 CA PRO A 44 14.015 0.413 0.371 1.00 0.00 C ATOM 693 C PRO A 44 13.234 1.228 1.414 1.00 0.00 C ATOM 694 O PRO A 44 13.448 2.434 1.574 1.00 0.00 O ATOM 695 CB PRO A 44 15.478 0.210 0.775 1.00 0.00 C ATOM 696 CG PRO A 44 16.220 1.319 0.031 1.00 0.00 C ATOM 697 CD PRO A 44 15.422 1.452 -1.266 1.00 0.00 C ATOM 0 HA PRO A 44 13.481 -0.536 0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.610 0.294 1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.839 -0.777 0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 44 16.228 2.250 0.598 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.260 1.052 -0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.460 2.473 -1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.831 0.808 -2.044 1.00 0.00 H new ATOM 705 N LEU A 45 12.371 0.525 2.153 1.00 0.00 N ATOM 706 CA LEU A 45 11.401 0.988 3.167 1.00 0.00 C ATOM 707 C LEU A 45 10.195 1.738 2.563 1.00 0.00 C ATOM 708 O LEU A 45 10.322 2.623 1.716 1.00 0.00 O ATOM 709 CB LEU A 45 12.072 1.688 4.363 1.00 0.00 C ATOM 710 CG LEU A 45 12.875 0.703 5.237 1.00 0.00 C ATOM 711 CD1 LEU A 45 13.880 1.461 6.103 1.00 0.00 C ATOM 712 CD2 LEU A 45 11.963 -0.111 6.164 1.00 0.00 C ATOM 0 H LEU A 45 12.325 -0.489 2.050 1.00 0.00 H new ATOM 0 HA LEU A 45 10.956 0.091 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.736 2.472 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.310 2.174 4.972 1.00 0.00 H new ATOM 0 HG LEU A 45 13.389 0.024 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.440 0.753 6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.569 2.012 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.349 2.159 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.568 -0.793 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.418 0.565 6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.255 -0.684 5.566 1.00 0.00 H new ATOM 724 N SER A 46 9.000 1.371 3.040 1.00 0.00 N ATOM 725 CA SER A 46 7.682 1.749 2.506 1.00 0.00 C ATOM 726 C SER A 46 6.726 2.159 3.621 1.00 0.00 C ATOM 727 O SER A 46 6.091 3.204 3.559 1.00 0.00 O ATOM 728 CB SER A 46 7.092 0.592 1.696 1.00 0.00 C ATOM 729 OG SER A 46 6.290 1.092 0.649 1.00 0.00 O ATOM 0 H SER A 46 8.920 0.766 3.858 1.00 0.00 H new ATOM 0 HA SER A 46 7.817 2.610 1.852 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.894 -0.023 1.288 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.497 -0.050 2.345 1.00 0.00 H new ATOM 0 HG SER A 46 6.815 1.714 0.103 1.00 0.00 H new ATOM 735 N ILE A 47 6.699 1.374 4.699 1.00 0.00 N ATOM 736 CA ILE A 47 5.994 1.643 5.955 1.00 0.00 C ATOM 737 C ILE A 47 6.410 2.942 6.650 1.00 0.00 C ATOM 738 O ILE A 47 5.569 3.683 7.159 1.00 0.00 O ATOM 739 CB ILE A 47 6.117 0.399 6.871 1.00 0.00 C ATOM 740 CG1 ILE A 47 5.158 0.404 8.074 1.00 0.00 C ATOM 741 CG2 ILE A 47 7.552 0.162 7.380 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.699 0.322 7.624 1.00 0.00 C ATOM 0 H ILE A 47 7.196 0.484 4.721 1.00 0.00 H new ATOM 0 HA ILE A 47 4.944 1.817 5.718 1.00 0.00 H new ATOM 0 HB ILE A 47 5.829 -0.422 6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.387 -0.438 8.727 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.310 1.311 8.659 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.571 -0.723 8.016 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.219 0.014 6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.882 1.028 7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.048 0.328 8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.465 1.178 6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.543 -0.598 7.061 1.00 0.00 H new ATOM 754 N GLU A 48 7.688 3.292 6.553 1.00 0.00 N ATOM 755 CA GLU A 48 8.258 4.565 7.002 1.00 0.00 C ATOM 756 C GLU A 48 7.767 5.747 6.148 1.00 0.00 C ATOM 757 O GLU A 48 8.008 6.906 6.488 1.00 0.00 O ATOM 758 CB GLU A 48 9.796 4.485 6.969 1.00 0.00 C ATOM 759 CG GLU A 48 10.390 3.422 7.908 1.00 0.00 C ATOM 760 CD GLU A 48 10.107 3.731 9.392 1.00 0.00 C ATOM 761 OE1 GLU A 48 10.804 4.593 9.982 1.00 0.00 O ATOM 762 OE2 GLU A 48 9.194 3.109 9.990 1.00 0.00 O ATOM 0 H GLU A 48 8.387 2.673 6.143 1.00 0.00 H new ATOM 0 HA GLU A 48 7.922 4.742 8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.116 4.273 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.206 5.459 7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.976 2.446 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.467 3.362 7.750 1.00 0.00 H new ATOM 769 N GLU A 49 7.057 5.460 5.049 1.00 0.00 N ATOM 770 CA GLU A 49 6.540 6.447 4.083 1.00 0.00 C ATOM 771 C GLU A 49 5.036 6.277 3.791 1.00 0.00 C ATOM 772 O GLU A 49 4.484 6.932 2.904 1.00 0.00 O ATOM 773 CB GLU A 49 7.373 6.382 2.787 1.00 0.00 C ATOM 774 CG GLU A 49 8.866 6.714 2.955 1.00 0.00 C ATOM 775 CD GLU A 49 9.152 8.144 3.472 1.00 0.00 C ATOM 776 OE1 GLU A 49 8.344 9.075 3.236 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.235 8.360 4.069 1.00 0.00 O ATOM 0 H GLU A 49 6.817 4.501 4.796 1.00 0.00 H new ATOM 0 HA GLU A 49 6.642 7.434 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.284 5.380 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.942 7.072 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.309 5.996 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.365 6.582 1.995 1.00 0.00 H new ATOM 784 N ILE A 50 4.366 5.389 4.532 1.00 0.00 N ATOM 785 CA ILE A 50 2.997 4.947 4.256 1.00 0.00 C ATOM 786 C ILE A 50 1.937 6.060 4.344 1.00 0.00 C ATOM 787 O ILE A 50 1.981 6.963 5.185 1.00 0.00 O ATOM 788 CB ILE A 50 2.637 3.748 5.156 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.449 2.946 4.581 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.377 4.169 6.615 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.352 1.541 5.187 1.00 0.00 C ATOM 0 H ILE A 50 4.770 4.948 5.358 1.00 0.00 H new ATOM 0 HA ILE A 50 2.981 4.636 3.211 1.00 0.00 H new ATOM 0 HB ILE A 50 3.507 3.091 5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.522 3.487 4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.556 2.867 3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.127 3.289 7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.271 4.640 7.023 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.548 4.876 6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.502 1.015 4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.268 0.989 4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.217 1.619 6.266 1.00 0.00 H new ATOM 803 N VAL A 51 0.947 5.924 3.471 1.00 0.00 N ATOM 804 CA VAL A 51 -0.321 6.668 3.411 1.00 0.00 C ATOM 805 C VAL A 51 -1.478 5.669 3.520 1.00 0.00 C ATOM 806 O VAL A 51 -1.847 5.023 2.540 1.00 0.00 O ATOM 807 CB VAL A 51 -0.406 7.520 2.127 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.721 8.306 2.050 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.747 8.532 2.039 1.00 0.00 C ATOM 0 H VAL A 51 1.008 5.235 2.721 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.381 7.368 4.244 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.347 6.813 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.741 8.893 1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.561 7.611 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.797 8.973 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.652 9.113 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.709 9.202 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.698 8.000 2.035 1.00 0.00 H new ATOM 819 N GLU A 52 -2.027 5.475 4.719 1.00 0.00 N ATOM 820 CA GLU A 52 -3.137 4.538 4.954 1.00 0.00 C ATOM 821 C GLU A 52 -4.500 5.231 4.740 1.00 0.00 C ATOM 822 O GLU A 52 -4.837 6.191 5.441 1.00 0.00 O ATOM 823 CB GLU A 52 -3.065 3.896 6.356 1.00 0.00 C ATOM 824 CG GLU A 52 -1.671 3.459 6.828 1.00 0.00 C ATOM 825 CD GLU A 52 -1.733 2.902 8.263 1.00 0.00 C ATOM 826 OE1 GLU A 52 -1.994 1.689 8.435 1.00 0.00 O ATOM 827 OE2 GLU A 52 -1.520 3.676 9.229 1.00 0.00 O ATOM 0 H GLU A 52 -1.717 5.962 5.560 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.039 3.735 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.465 4.606 7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.720 3.025 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.275 2.699 6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.986 4.306 6.791 1.00 0.00 H new ATOM 834 N ILE A 53 -5.283 4.763 3.764 1.00 0.00 N ATOM 835 CA ILE A 53 -6.667 5.188 3.505 1.00 0.00 C ATOM 836 C ILE A 53 -7.627 4.412 4.436 1.00 0.00 C ATOM 837 O ILE A 53 -7.314 3.314 4.905 1.00 0.00 O ATOM 838 CB ILE A 53 -6.999 5.004 1.996 1.00 0.00 C ATOM 839 CG1 ILE A 53 -6.002 5.760 1.073 1.00 0.00 C ATOM 840 CG2 ILE A 53 -8.422 5.482 1.655 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.860 4.883 0.541 1.00 0.00 C ATOM 0 H ILE A 53 -4.962 4.052 3.107 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.791 6.248 3.728 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.917 3.932 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.550 6.178 0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.577 6.599 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.610 5.335 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.147 4.910 2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.518 6.540 1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.207 5.482 -0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.286 4.485 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.274 4.058 -0.039 1.00 0.00 H new ATOM 853 N VAL A 54 -8.798 4.984 4.740 1.00 0.00 N ATOM 854 CA VAL A 54 -9.821 4.371 5.614 1.00 0.00 C ATOM 855 C VAL A 54 -10.359 3.033 5.063 1.00 0.00 C ATOM 856 O VAL A 54 -10.450 2.866 3.843 1.00 0.00 O ATOM 857 CB VAL A 54 -10.995 5.341 5.883 1.00 0.00 C ATOM 858 CG1 VAL A 54 -10.525 6.541 6.711 1.00 0.00 C ATOM 859 CG2 VAL A 54 -11.683 5.857 4.611 1.00 0.00 C ATOM 0 H VAL A 54 -9.071 5.900 4.383 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.315 4.158 6.556 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.731 4.755 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.366 7.212 6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.130 6.192 7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.744 7.074 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.495 6.531 4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.959 6.392 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -12.085 5.015 4.047 1.00 0.00 H new ATOM 869 N PRO A 55 -10.776 2.083 5.928 1.00 0.00 N ATOM 870 CA PRO A 55 -11.349 0.797 5.506 1.00 0.00 C ATOM 871 C PRO A 55 -12.784 0.901 4.947 1.00 0.00 C ATOM 872 O PRO A 55 -13.291 -0.058 4.361 1.00 0.00 O ATOM 873 CB PRO A 55 -11.302 -0.088 6.759 1.00 0.00 C ATOM 874 CG PRO A 55 -11.448 0.917 7.899 1.00 0.00 C ATOM 875 CD PRO A 55 -10.673 2.130 7.384 1.00 0.00 C ATOM 0 HA PRO A 55 -10.777 0.386 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.107 -0.823 6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.365 -0.641 6.827 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.493 1.158 8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.030 0.536 8.830 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.093 3.057 7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.631 2.092 7.703 1.00 0.00 H new ATOM 883 N SER A 56 -13.448 2.054 5.107 1.00 0.00 N ATOM 884 CA SER A 56 -14.837 2.335 4.710 1.00 0.00 C ATOM 885 C SER A 56 -15.121 2.003 3.242 1.00 0.00 C ATOM 886 O SER A 56 -16.281 1.834 2.843 1.00 0.00 O ATOM 887 CB SER A 56 -15.163 3.811 4.976 1.00 0.00 C ATOM 888 OG SER A 56 -14.850 4.158 6.319 1.00 0.00 O ATOM 0 H SER A 56 -13.005 2.863 5.542 1.00 0.00 H new ATOM 0 HA SER A 56 -15.475 1.688 5.312 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.599 4.443 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 56 -16.220 3.996 4.784 1.00 0.00 H new ATOM 0 HG SER A 56 -15.062 5.103 6.471 1.00 0.00 H new TER 894 SER A 56