USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 427 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 16 SER OG : rot -180:sc= 1.01 USER MOD Set 1.2: A 18 LYS NZ :NH3+ 170:sc= 1.47 (180deg=1.4) USER MOD Set 1.3: A 46 SER OG : rot 77:sc= 1.21 USER MOD Single : A 3 CYS SG : rot 178:sc= -1.93 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 95:sc= 1.26 USER MOD Single : A 21 THR OG1 : rot 85:sc= 0.28 USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 0.961 (180deg=0.444) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.11) 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 35 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 41 THR OG1 : rot -90:sc=-0.000103 USER MOD Single : A 42 ASN : amide:sc= 0.438 X(o=0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.333 -1.352 -7.392 1.00 0.00 N ATOM 19 CA LEU A 2 -6.021 -2.738 -7.027 1.00 0.00 C ATOM 20 C LEU A 2 -4.542 -2.878 -6.681 1.00 0.00 C ATOM 21 O LEU A 2 -3.681 -2.180 -7.227 1.00 0.00 O ATOM 22 CB LEU A 2 -6.458 -3.710 -8.137 1.00 0.00 C ATOM 23 CG LEU A 2 -7.978 -3.763 -8.385 1.00 0.00 C ATOM 24 CD1 LEU A 2 -8.270 -4.692 -9.564 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.752 -4.289 -7.174 1.00 0.00 C ATOM 0 HA LEU A 2 -6.588 -3.004 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.962 -3.427 -9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.110 -4.711 -7.882 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.301 -2.742 -8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.345 -4.730 -9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.769 -4.316 -10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.904 -5.693 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.818 -4.306 -7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.416 -5.299 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.575 -3.638 -6.318 1.00 0.00 H new ATOM 37 N CYS A 3 -4.258 -3.802 -5.761 1.00 0.00 N ATOM 38 CA CYS A 3 -2.961 -3.921 -5.132 1.00 0.00 C ATOM 39 C CYS A 3 -1.833 -4.277 -6.108 1.00 0.00 C ATOM 40 O CYS A 3 -1.958 -5.111 -7.001 1.00 0.00 O ATOM 41 CB CYS A 3 -3.173 -4.876 -3.950 1.00 0.00 C ATOM 42 SG CYS A 3 -1.685 -5.400 -3.089 1.00 0.00 S ATOM 0 H CYS A 3 -4.936 -4.491 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.591 -2.966 -4.760 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.834 -4.392 -3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.691 -5.764 -4.313 1.00 0.00 H new ATOM 0 HG CYS A 3 -2.009 -6.165 -2.089 1.00 0.00 H new ATOM 48 N ALA A 4 -0.698 -3.626 -5.899 1.00 0.00 N ATOM 49 CA ALA A 4 0.526 -3.852 -6.673 1.00 0.00 C ATOM 50 C ALA A 4 1.338 -5.044 -6.136 1.00 0.00 C ATOM 51 O ALA A 4 2.209 -5.561 -6.840 1.00 0.00 O ATOM 52 CB ALA A 4 1.365 -2.575 -6.734 1.00 0.00 C ATOM 0 H ALA A 4 -0.594 -2.913 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 4 0.233 -4.113 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.270 -2.761 -7.312 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.787 -1.782 -7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.637 -2.270 -5.724 1.00 0.00 H new ATOM 58 N ILE A 5 1.041 -5.502 -4.909 1.00 0.00 N ATOM 59 CA ILE A 5 1.655 -6.702 -4.332 1.00 0.00 C ATOM 60 C ILE A 5 1.017 -7.965 -4.945 1.00 0.00 C ATOM 61 O ILE A 5 1.745 -8.764 -5.540 1.00 0.00 O ATOM 62 CB ILE A 5 1.641 -6.674 -2.785 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.610 -5.619 -2.203 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.069 -8.056 -2.252 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.993 -4.221 -2.087 1.00 0.00 C ATOM 0 H ILE A 5 0.368 -5.048 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 5 2.713 -6.724 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 5 0.628 -6.416 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.940 -5.945 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.497 -5.565 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.062 -8.044 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.375 -8.816 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.074 -8.287 -2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.728 -3.532 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.689 -3.875 -3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.123 -4.261 -1.432 1.00 0.00 H new ATOM 77 N SER A 6 -0.317 -8.134 -4.856 1.00 0.00 N ATOM 78 CA SER A 6 -1.007 -9.319 -5.425 1.00 0.00 C ATOM 79 C SER A 6 -2.286 -9.032 -6.224 1.00 0.00 C ATOM 80 O SER A 6 -2.844 -9.961 -6.812 1.00 0.00 O ATOM 81 CB SER A 6 -1.313 -10.381 -4.359 1.00 0.00 C ATOM 82 OG SER A 6 -0.148 -10.769 -3.645 1.00 0.00 O ATOM 0 H SER A 6 -0.941 -7.470 -4.398 1.00 0.00 H new ATOM 0 HA SER A 6 -0.277 -9.696 -6.141 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.053 -9.991 -3.660 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.755 -11.256 -4.835 1.00 0.00 H new ATOM 0 HG SER A 6 -0.384 -11.444 -2.975 1.00 0.00 H new ATOM 88 N GLY A 7 -2.780 -7.787 -6.270 1.00 0.00 N ATOM 89 CA GLY A 7 -3.975 -7.430 -7.052 1.00 0.00 C ATOM 90 C GLY A 7 -5.289 -7.582 -6.288 1.00 0.00 C ATOM 91 O GLY A 7 -6.378 -7.430 -6.844 1.00 0.00 O ATOM 0 H GLY A 7 -2.366 -7.001 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.880 -6.398 -7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.012 -8.055 -7.945 1.00 0.00 H new ATOM 95 N LYS A 8 -5.159 -7.862 -4.991 1.00 0.00 N ATOM 96 CA LYS A 8 -6.206 -7.976 -3.981 1.00 0.00 C ATOM 97 C LYS A 8 -7.045 -6.696 -3.909 1.00 0.00 C ATOM 98 O LYS A 8 -6.486 -5.597 -3.941 1.00 0.00 O ATOM 99 CB LYS A 8 -5.472 -8.266 -2.657 1.00 0.00 C ATOM 100 CG LYS A 8 -6.382 -8.637 -1.476 1.00 0.00 C ATOM 101 CD LYS A 8 -6.976 -10.041 -1.662 1.00 0.00 C ATOM 102 CE LYS A 8 -7.866 -10.416 -0.469 1.00 0.00 C ATOM 103 NZ LYS A 8 -8.470 -11.764 -0.649 1.00 0.00 N ATOM 0 H LYS A 8 -4.237 -8.029 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.914 -8.771 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.766 -9.080 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.887 -7.388 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.813 -8.599 -0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.186 -7.906 -1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.559 -10.076 -2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.173 -10.770 -1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.276 -10.399 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.656 -9.674 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.066 -11.990 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.052 -11.771 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.715 -12.474 -0.735 1.00 0.00 H new ATOM 117 N VAL A 9 -8.366 -6.840 -3.789 1.00 0.00 N ATOM 118 CA VAL A 9 -9.310 -5.748 -3.486 1.00 0.00 C ATOM 119 C VAL A 9 -9.049 -5.293 -2.038 1.00 0.00 C ATOM 120 O VAL A 9 -9.306 -6.083 -1.123 1.00 0.00 O ATOM 121 CB VAL A 9 -10.777 -6.195 -3.663 1.00 0.00 C ATOM 122 CG1 VAL A 9 -11.739 -5.034 -3.386 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.051 -6.688 -5.092 1.00 0.00 C ATOM 0 H VAL A 9 -8.828 -7.743 -3.902 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.152 -4.924 -4.182 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.938 -7.006 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.766 -5.374 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.601 -4.683 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.535 -4.219 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.094 -6.994 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.850 -5.883 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.404 -7.537 -5.314 1.00 0.00 H new ATOM 133 N PRO A 10 -8.472 -4.099 -1.796 1.00 0.00 N ATOM 134 CA PRO A 10 -8.010 -3.702 -0.465 1.00 0.00 C ATOM 135 C PRO A 10 -9.082 -3.761 0.636 1.00 0.00 C ATOM 136 O PRO A 10 -10.165 -3.186 0.495 1.00 0.00 O ATOM 137 CB PRO A 10 -7.446 -2.288 -0.629 1.00 0.00 C ATOM 138 CG PRO A 10 -7.022 -2.235 -2.093 1.00 0.00 C ATOM 139 CD PRO A 10 -8.106 -3.071 -2.768 1.00 0.00 C ATOM 0 HA PRO A 10 -7.262 -4.414 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.195 -1.529 -0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.602 -2.114 0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.998 -1.214 -2.474 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.028 -2.656 -2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.967 -2.457 -3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.738 -3.518 -3.692 1.00 0.00 H new ATOM 147 N ARG A 11 -8.769 -4.444 1.745 1.00 0.00 N ATOM 148 CA ARG A 11 -9.556 -4.434 2.991 1.00 0.00 C ATOM 149 C ARG A 11 -9.316 -3.109 3.714 1.00 0.00 C ATOM 150 O ARG A 11 -10.262 -2.441 4.134 1.00 0.00 O ATOM 151 CB ARG A 11 -9.164 -5.588 3.930 1.00 0.00 C ATOM 152 CG ARG A 11 -9.145 -6.983 3.289 1.00 0.00 C ATOM 153 CD ARG A 11 -8.753 -8.007 4.363 1.00 0.00 C ATOM 154 NE ARG A 11 -8.517 -9.350 3.797 1.00 0.00 N ATOM 155 CZ ARG A 11 -7.364 -9.857 3.398 1.00 0.00 C ATOM 156 NH1 ARG A 11 -6.270 -9.158 3.331 1.00 0.00 N ATOM 157 NH2 ARG A 11 -7.290 -11.110 3.049 1.00 0.00 N ATOM 0 H ARG A 11 -7.940 -5.035 1.805 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.606 -4.556 2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.175 -5.381 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.859 -5.602 4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.125 -7.223 2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.435 -7.010 2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.852 -7.667 4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.542 -8.065 5.112 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.334 -9.953 3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.278 -8.172 3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.404 -9.595 3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.122 -11.699 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.400 -11.502 2.741 1.00 0.00 H new ATOM 171 N ARG A 12 -8.037 -2.717 3.802 1.00 0.00 N ATOM 172 CA ARG A 12 -7.538 -1.443 4.305 1.00 0.00 C ATOM 173 C ARG A 12 -6.665 -0.802 3.208 1.00 0.00 C ATOM 174 O ARG A 12 -5.472 -1.108 3.137 1.00 0.00 O ATOM 175 CB ARG A 12 -6.816 -1.741 5.627 1.00 0.00 C ATOM 176 CG ARG A 12 -6.114 -0.538 6.254 1.00 0.00 C ATOM 177 CD ARG A 12 -7.048 0.602 6.673 1.00 0.00 C ATOM 178 NE ARG A 12 -6.330 1.591 7.500 1.00 0.00 N ATOM 179 CZ ARG A 12 -6.830 2.634 8.131 1.00 0.00 C ATOM 180 NH1 ARG A 12 -8.084 2.978 8.045 1.00 0.00 N ATOM 181 NH2 ARG A 12 -6.048 3.346 8.882 1.00 0.00 N ATOM 0 H ARG A 12 -7.278 -3.328 3.501 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.316 -0.712 4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.540 -2.135 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.079 -2.526 5.454 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.558 -0.874 7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.385 -0.149 5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.455 1.089 5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.893 0.199 7.231 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.324 1.450 7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.725 2.431 7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.425 3.794 8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.064 3.095 8.976 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.417 4.157 9.378 1.00 0.00 H new ATOM 195 N PRO A 13 -7.241 0.033 2.320 1.00 0.00 N ATOM 196 CA PRO A 13 -6.519 0.691 1.238 1.00 0.00 C ATOM 197 C PRO A 13 -5.382 1.553 1.772 1.00 0.00 C ATOM 198 O PRO A 13 -5.527 2.333 2.712 1.00 0.00 O ATOM 199 CB PRO A 13 -7.546 1.489 0.421 1.00 0.00 C ATOM 200 CG PRO A 13 -8.753 1.579 1.349 1.00 0.00 C ATOM 201 CD PRO A 13 -8.655 0.266 2.115 1.00 0.00 C ATOM 0 HA PRO A 13 -6.037 -0.041 0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.168 2.477 0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.795 0.984 -0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.697 2.444 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.689 1.661 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.183 0.328 3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.108 -0.550 1.552 1.00 0.00 H new ATOM 209 N VAL A 14 -4.226 1.348 1.168 1.00 0.00 N ATOM 210 CA VAL A 14 -2.926 1.871 1.597 1.00 0.00 C ATOM 211 C VAL A 14 -2.101 2.298 0.382 1.00 0.00 C ATOM 212 O VAL A 14 -2.160 1.682 -0.680 1.00 0.00 O ATOM 213 CB VAL A 14 -2.236 0.802 2.473 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.715 0.750 2.392 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.552 1.063 3.946 1.00 0.00 C ATOM 0 H VAL A 14 -4.157 0.784 0.321 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.042 2.769 2.204 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.627 -0.138 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.342 -0.037 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.412 0.541 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.301 1.709 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.064 0.308 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.187 2.051 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.630 1.017 4.101 1.00 0.00 H new ATOM 225 N LEU A 15 -1.337 3.375 0.544 1.00 0.00 N ATOM 226 CA LEU A 15 -0.599 4.083 -0.501 1.00 0.00 C ATOM 227 C LEU A 15 0.858 4.331 -0.052 1.00 0.00 C ATOM 228 O LEU A 15 1.154 4.444 1.142 1.00 0.00 O ATOM 229 CB LEU A 15 -1.373 5.401 -0.754 1.00 0.00 C ATOM 230 CG LEU A 15 -0.681 6.526 -1.548 1.00 0.00 C ATOM 231 CD1 LEU A 15 -0.428 6.178 -3.012 1.00 0.00 C ATOM 232 CD2 LEU A 15 -1.561 7.777 -1.535 1.00 0.00 C ATOM 0 H LEU A 15 -1.208 3.803 1.461 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.532 3.506 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.295 5.147 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.658 5.808 0.216 1.00 0.00 H new ATOM 0 HG LEU A 15 0.281 6.683 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.061 7.017 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.213 5.298 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.377 5.970 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.071 8.572 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.524 7.549 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.716 8.102 -0.506 1.00 0.00 H new ATOM 244 N SER A 16 1.757 4.464 -1.028 1.00 0.00 N ATOM 245 CA SER A 16 3.146 4.918 -0.890 1.00 0.00 C ATOM 246 C SER A 16 3.421 5.929 -2.014 1.00 0.00 C ATOM 247 O SER A 16 3.048 5.657 -3.159 1.00 0.00 O ATOM 248 CB SER A 16 4.122 3.746 -1.007 1.00 0.00 C ATOM 249 OG SER A 16 5.460 4.196 -0.930 1.00 0.00 O ATOM 0 H SER A 16 1.523 4.245 -1.996 1.00 0.00 H new ATOM 0 HA SER A 16 3.287 5.372 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.930 3.026 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.962 3.227 -1.952 1.00 0.00 H new ATOM 0 HG SER A 16 6.068 3.431 -1.011 1.00 0.00 H new ATOM 255 N PRO A 17 4.064 7.081 -1.747 1.00 0.00 N ATOM 256 CA PRO A 17 4.270 8.133 -2.751 1.00 0.00 C ATOM 257 C PRO A 17 5.254 7.751 -3.877 1.00 0.00 C ATOM 258 O PRO A 17 5.373 8.486 -4.862 1.00 0.00 O ATOM 259 CB PRO A 17 4.763 9.345 -1.950 1.00 0.00 C ATOM 260 CG PRO A 17 5.464 8.720 -0.746 1.00 0.00 C ATOM 261 CD PRO A 17 4.602 7.492 -0.458 1.00 0.00 C ATOM 0 HA PRO A 17 3.343 8.330 -3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.445 9.962 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.936 9.986 -1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.495 8.447 -0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.495 9.402 0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.193 6.695 -0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.802 7.730 0.243 1.00 0.00 H new ATOM 269 N LYS A 18 5.946 6.609 -3.756 1.00 0.00 N ATOM 270 CA LYS A 18 6.894 6.064 -4.741 1.00 0.00 C ATOM 271 C LYS A 18 6.170 5.329 -5.877 1.00 0.00 C ATOM 272 O LYS A 18 6.213 5.786 -7.018 1.00 0.00 O ATOM 273 CB LYS A 18 7.915 5.183 -4.010 1.00 0.00 C ATOM 274 CG LYS A 18 8.974 6.011 -3.256 1.00 0.00 C ATOM 275 CD LYS A 18 9.492 5.257 -2.026 1.00 0.00 C ATOM 276 CE LYS A 18 8.505 5.407 -0.864 1.00 0.00 C ATOM 277 NZ LYS A 18 8.463 4.191 -0.024 1.00 0.00 N ATOM 0 H LYS A 18 5.857 6.013 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 18 7.432 6.879 -5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.393 4.537 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.412 4.533 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.805 6.238 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.543 6.964 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.626 4.202 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.469 5.645 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.790 6.263 -0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.509 5.613 -1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.919 4.385 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.008 3.419 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.432 3.912 0.231 1.00 0.00 H new ATOM 291 N SER A 19 5.471 4.228 -5.584 1.00 0.00 N ATOM 292 CA SER A 19 4.621 3.517 -6.548 1.00 0.00 C ATOM 293 C SER A 19 3.387 4.335 -6.956 1.00 0.00 C ATOM 294 O SER A 19 2.931 4.232 -8.096 1.00 0.00 O ATOM 295 CB SER A 19 4.149 2.185 -5.952 1.00 0.00 C ATOM 296 OG SER A 19 5.257 1.369 -5.627 1.00 0.00 O ATOM 0 H SER A 19 5.479 3.799 -4.659 1.00 0.00 H new ATOM 0 HA SER A 19 5.229 3.348 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.552 2.370 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.506 1.668 -6.664 1.00 0.00 H new ATOM 0 HG SER A 19 5.493 1.497 -4.684 1.00 0.00 H new ATOM 302 N ARG A 20 2.846 5.153 -6.035 1.00 0.00 N ATOM 303 CA ARG A 20 1.614 5.970 -6.141 1.00 0.00 C ATOM 304 C ARG A 20 0.307 5.168 -6.318 1.00 0.00 C ATOM 305 O ARG A 20 -0.779 5.745 -6.338 1.00 0.00 O ATOM 306 CB ARG A 20 1.845 7.103 -7.171 1.00 0.00 C ATOM 307 CG ARG A 20 0.824 8.254 -7.104 1.00 0.00 C ATOM 308 CD ARG A 20 -0.218 8.187 -8.230 1.00 0.00 C ATOM 309 NE ARG A 20 -1.308 9.157 -8.024 1.00 0.00 N ATOM 310 CZ ARG A 20 -2.372 9.018 -7.254 1.00 0.00 C ATOM 311 NH1 ARG A 20 -2.584 7.954 -6.530 1.00 0.00 N ATOM 312 NH2 ARG A 20 -3.263 9.968 -7.192 1.00 0.00 N ATOM 0 H ARG A 20 3.290 5.272 -5.125 1.00 0.00 H new ATOM 0 HA ARG A 20 1.431 6.434 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.844 7.513 -7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.823 6.674 -8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.315 8.227 -6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.352 9.206 -7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.267 8.383 -9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.632 7.180 -8.283 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.232 10.037 -8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.913 7.186 -6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.420 7.890 -5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.139 10.820 -7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.084 9.859 -6.597 1.00 0.00 H new ATOM 326 N THR A 21 0.392 3.843 -6.401 1.00 0.00 N ATOM 327 CA THR A 21 -0.709 2.873 -6.464 1.00 0.00 C ATOM 328 C THR A 21 -1.421 2.699 -5.114 1.00 0.00 C ATOM 329 O THR A 21 -0.906 3.128 -4.080 1.00 0.00 O ATOM 330 CB THR A 21 -0.130 1.519 -6.912 1.00 0.00 C ATOM 331 OG1 THR A 21 0.857 1.061 -6.014 1.00 0.00 O ATOM 332 CG2 THR A 21 0.578 1.612 -8.261 1.00 0.00 C ATOM 0 H THR A 21 1.300 3.379 -6.428 1.00 0.00 H new ATOM 0 HA THR A 21 -1.451 3.245 -7.170 1.00 0.00 H new ATOM 0 HB THR A 21 -0.988 0.848 -6.960 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.428 0.589 -5.270 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.970 0.632 -8.535 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.129 1.945 -9.021 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.400 2.325 -8.192 1.00 0.00 H new ATOM 340 N ILE A 22 -2.574 2.015 -5.097 1.00 0.00 N ATOM 341 CA ILE A 22 -3.293 1.654 -3.863 1.00 0.00 C ATOM 342 C ILE A 22 -3.245 0.134 -3.700 1.00 0.00 C ATOM 343 O ILE A 22 -3.791 -0.607 -4.517 1.00 0.00 O ATOM 344 CB ILE A 22 -4.748 2.166 -3.868 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.915 3.655 -4.254 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.429 1.885 -2.513 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.205 4.652 -3.329 1.00 0.00 C ATOM 0 H ILE A 22 -3.039 1.693 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.804 2.135 -3.016 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.242 1.604 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.541 3.795 -5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.979 3.893 -4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.454 2.254 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.434 0.812 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.880 2.391 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.382 5.667 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.593 4.549 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.134 4.450 -3.329 1.00 0.00 H new ATOM 359 N PHE A 23 -2.602 -0.332 -2.635 1.00 0.00 N ATOM 360 CA PHE A 23 -2.529 -1.735 -2.232 1.00 0.00 C ATOM 361 C PHE A 23 -3.258 -1.980 -0.911 1.00 0.00 C ATOM 362 O PHE A 23 -3.698 -1.068 -0.215 1.00 0.00 O ATOM 363 CB PHE A 23 -1.082 -2.276 -2.245 1.00 0.00 C ATOM 364 CG PHE A 23 0.030 -1.259 -2.174 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.268 -0.574 -0.984 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.822 -1.001 -3.295 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.209 0.475 -0.954 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.812 -0.008 -3.260 1.00 0.00 C ATOM 369 CZ PHE A 23 1.985 0.754 -2.094 1.00 0.00 C ATOM 0 H PHE A 23 -2.094 0.284 -2.000 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.060 -2.318 -2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.969 -2.961 -1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.948 -2.862 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.267 -0.846 -0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.671 -1.572 -4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.334 1.064 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.436 0.169 -4.123 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.712 1.552 -2.072 1.00 0.00 H new ATOM 379 N GLU A 24 -3.433 -3.257 -0.597 1.00 0.00 N ATOM 380 CA GLU A 24 -3.924 -3.723 0.690 1.00 0.00 C ATOM 381 C GLU A 24 -2.814 -3.551 1.747 1.00 0.00 C ATOM 382 O GLU A 24 -1.679 -3.979 1.509 1.00 0.00 O ATOM 383 CB GLU A 24 -4.352 -5.182 0.480 1.00 0.00 C ATOM 384 CG GLU A 24 -4.502 -6.068 1.723 1.00 0.00 C ATOM 385 CD GLU A 24 -5.568 -5.622 2.730 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.108 -4.500 2.613 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.856 -6.422 3.649 1.00 0.00 O ATOM 0 H GLU A 24 -3.232 -4.016 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.778 -3.154 1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.306 -5.179 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.625 -5.653 -0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.736 -7.082 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.540 -6.111 2.234 1.00 0.00 H new ATOM 394 N LYS A 25 -3.118 -2.971 2.920 1.00 0.00 N ATOM 395 CA LYS A 25 -2.191 -2.779 4.046 1.00 0.00 C ATOM 396 C LYS A 25 -1.482 -4.083 4.373 1.00 0.00 C ATOM 397 O LYS A 25 -0.262 -4.116 4.518 1.00 0.00 O ATOM 398 CB LYS A 25 -2.961 -2.269 5.277 1.00 0.00 C ATOM 399 CG LYS A 25 -2.016 -1.945 6.450 1.00 0.00 C ATOM 400 CD LYS A 25 -2.772 -1.266 7.596 1.00 0.00 C ATOM 401 CE LYS A 25 -1.829 -0.946 8.762 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.548 -0.235 9.851 1.00 0.00 N ATOM 0 H LYS A 25 -4.051 -2.610 3.117 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.442 -2.038 3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.526 -1.376 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.685 -3.022 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.551 -2.863 6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.212 -1.295 6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.236 -0.348 7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.576 -1.916 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.398 -1.869 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.002 -0.332 8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.858 0.191 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.146 0.512 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.144 -0.910 10.371 1.00 0.00 H new ATOM 416 N SER A 26 -2.266 -5.160 4.454 1.00 0.00 N ATOM 417 CA SER A 26 -1.774 -6.482 4.818 1.00 0.00 C ATOM 418 C SER A 26 -0.740 -7.035 3.822 1.00 0.00 C ATOM 419 O SER A 26 0.273 -7.611 4.223 1.00 0.00 O ATOM 420 CB SER A 26 -2.950 -7.450 4.999 1.00 0.00 C ATOM 421 OG SER A 26 -2.509 -8.669 5.570 1.00 0.00 O ATOM 0 H SER A 26 -3.268 -5.134 4.266 1.00 0.00 H new ATOM 0 HA SER A 26 -1.247 -6.381 5.767 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.707 -6.996 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.421 -7.643 4.035 1.00 0.00 H new ATOM 0 HG SER A 26 -3.272 -9.274 5.680 1.00 0.00 H new ATOM 427 N LEU A 27 -0.948 -6.828 2.513 1.00 0.00 N ATOM 428 CA LEU A 27 -0.060 -7.307 1.462 1.00 0.00 C ATOM 429 C LEU A 27 1.211 -6.450 1.359 1.00 0.00 C ATOM 430 O LEU A 27 2.301 -7.003 1.208 1.00 0.00 O ATOM 431 CB LEU A 27 -0.811 -7.320 0.122 1.00 0.00 C ATOM 432 CG LEU A 27 -2.075 -8.204 -0.020 1.00 0.00 C ATOM 433 CD1 LEU A 27 -1.976 -9.016 -1.295 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.413 -9.174 1.113 1.00 0.00 C ATOM 0 H LEU A 27 -1.754 -6.314 2.157 1.00 0.00 H new ATOM 0 HA LEU A 27 0.253 -8.320 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.100 -6.293 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.105 -7.629 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.882 -7.471 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.864 -9.640 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.903 -8.344 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.090 -9.650 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.324 -9.720 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.592 -9.879 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.565 -8.616 2.037 1.00 0.00 H new ATOM 446 N LEU A 28 1.103 -5.120 1.499 1.00 0.00 N ATOM 447 CA LEU A 28 2.283 -4.254 1.597 1.00 0.00 C ATOM 448 C LEU A 28 3.105 -4.655 2.827 1.00 0.00 C ATOM 449 O LEU A 28 4.318 -4.790 2.726 1.00 0.00 O ATOM 450 CB LEU A 28 1.930 -2.759 1.672 1.00 0.00 C ATOM 451 CG LEU A 28 3.202 -1.867 1.670 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.850 -1.782 0.289 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.851 -0.477 2.187 1.00 0.00 C ATOM 0 H LEU A 28 0.213 -4.624 1.547 1.00 0.00 H new ATOM 0 HA LEU A 28 2.862 -4.394 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.297 -2.492 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.352 -2.567 2.576 1.00 0.00 H new ATOM 0 HG LEU A 28 3.935 -2.329 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.735 -1.147 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.138 -2.780 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.140 -1.357 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.744 0.148 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.094 -0.030 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.464 -0.554 3.203 1.00 0.00 H new ATOM 465 N GLU A 29 2.455 -4.875 3.976 1.00 0.00 N ATOM 466 CA GLU A 29 3.111 -5.279 5.227 1.00 0.00 C ATOM 467 C GLU A 29 3.942 -6.562 5.041 1.00 0.00 C ATOM 468 O GLU A 29 5.067 -6.657 5.532 1.00 0.00 O ATOM 469 CB GLU A 29 2.081 -5.415 6.358 1.00 0.00 C ATOM 470 CG GLU A 29 2.740 -5.693 7.717 1.00 0.00 C ATOM 471 CD GLU A 29 1.696 -5.666 8.851 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.074 -6.718 9.137 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.495 -4.594 9.472 1.00 0.00 O ATOM 0 H GLU A 29 1.444 -4.776 4.065 1.00 0.00 H new ATOM 0 HA GLU A 29 3.812 -4.494 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.493 -4.500 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.389 -6.223 6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.233 -6.665 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.512 -4.948 7.910 1.00 0.00 H new ATOM 480 N GLN A 30 3.434 -7.517 4.255 1.00 0.00 N ATOM 481 CA GLN A 30 4.174 -8.726 3.885 1.00 0.00 C ATOM 482 C GLN A 30 5.428 -8.398 3.057 1.00 0.00 C ATOM 483 O GLN A 30 6.532 -8.850 3.363 1.00 0.00 O ATOM 484 CB GLN A 30 3.240 -9.680 3.115 1.00 0.00 C ATOM 485 CG GLN A 30 3.749 -11.130 3.094 1.00 0.00 C ATOM 486 CD GLN A 30 3.743 -11.779 4.478 1.00 0.00 C ATOM 487 OE1 GLN A 30 4.757 -11.888 5.156 1.00 0.00 O ATOM 488 NE2 GLN A 30 2.606 -12.240 4.956 1.00 0.00 N ATOM 0 H GLN A 30 2.496 -7.472 3.857 1.00 0.00 H new ATOM 0 HA GLN A 30 4.518 -9.213 4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.249 -9.655 3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.130 -9.324 2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.128 -11.719 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.762 -11.149 2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.751 -12.158 4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.580 -12.679 5.876 1.00 0.00 H new ATOM 497 N TYR A 31 5.274 -7.582 2.012 1.00 0.00 N ATOM 498 CA TYR A 31 6.360 -7.240 1.091 1.00 0.00 C ATOM 499 C TYR A 31 7.445 -6.381 1.764 1.00 0.00 C ATOM 500 O TYR A 31 8.646 -6.538 1.526 1.00 0.00 O ATOM 501 CB TYR A 31 5.756 -6.546 -0.135 1.00 0.00 C ATOM 502 CG TYR A 31 6.732 -6.333 -1.274 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.350 -7.438 -1.885 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.020 -5.037 -1.730 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.222 -7.254 -2.977 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.946 -4.854 -2.773 1.00 0.00 C ATOM 507 CZ TYR A 31 8.542 -5.955 -3.414 1.00 0.00 C ATOM 508 OH TYR A 31 9.412 -5.750 -4.442 1.00 0.00 O ATOM 0 H TYR A 31 4.386 -7.137 1.780 1.00 0.00 H new ATOM 0 HA TYR A 31 6.866 -8.153 0.778 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.917 -7.140 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.355 -5.579 0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.155 -8.434 -1.515 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.533 -4.184 -1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.645 -8.111 -3.479 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.203 -3.853 -3.086 1.00 0.00 H new ATOM 0 HH TYR A 31 9.508 -4.788 -4.602 1.00 0.00 H new ATOM 518 N VAL A 32 7.021 -5.504 2.673 1.00 0.00 N ATOM 519 CA VAL A 32 7.886 -4.544 3.362 1.00 0.00 C ATOM 520 C VAL A 32 8.617 -5.155 4.577 1.00 0.00 C ATOM 521 O VAL A 32 9.613 -4.612 5.052 1.00 0.00 O ATOM 522 CB VAL A 32 7.073 -3.272 3.704 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.288 -3.406 5.009 1.00 0.00 C ATOM 524 CG2 VAL A 32 7.897 -1.999 3.836 1.00 0.00 C ATOM 0 H VAL A 32 6.044 -5.439 2.958 1.00 0.00 H new ATOM 0 HA VAL A 32 8.692 -4.256 2.688 1.00 0.00 H new ATOM 0 HB VAL A 32 6.411 -3.184 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.737 -2.485 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.588 -4.238 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.979 -3.591 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.240 -1.163 4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.633 -2.122 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.410 -1.798 2.895 1.00 0.00 H new ATOM 534 N LYS A 33 8.165 -6.318 5.061 1.00 0.00 N ATOM 535 CA LYS A 33 8.893 -7.144 6.051 1.00 0.00 C ATOM 536 C LYS A 33 9.746 -8.224 5.366 1.00 0.00 C ATOM 537 O LYS A 33 10.646 -8.787 5.988 1.00 0.00 O ATOM 538 CB LYS A 33 7.955 -7.699 7.143 1.00 0.00 C ATOM 539 CG LYS A 33 7.116 -8.917 6.719 1.00 0.00 C ATOM 540 CD LYS A 33 6.056 -9.308 7.760 1.00 0.00 C ATOM 541 CE LYS A 33 6.635 -9.832 9.082 1.00 0.00 C ATOM 542 NZ LYS A 33 7.315 -11.148 8.925 1.00 0.00 N ATOM 0 H LYS A 33 7.273 -6.723 4.777 1.00 0.00 H new ATOM 0 HA LYS A 33 9.595 -6.494 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.554 -7.974 8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.280 -6.904 7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.624 -8.700 5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.778 -9.765 6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.431 -8.440 7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.407 -10.072 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.344 -9.105 9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.833 -9.926 9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.688 -11.458 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.634 -11.851 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.098 -11.055 8.247 1.00 0.00 H new ATOM 556 N ASP A 34 9.508 -8.467 4.074 1.00 0.00 N ATOM 557 CA ASP A 34 10.334 -9.302 3.187 1.00 0.00 C ATOM 558 C ASP A 34 11.641 -8.591 2.806 1.00 0.00 C ATOM 559 O ASP A 34 12.736 -9.105 3.047 1.00 0.00 O ATOM 560 CB ASP A 34 9.549 -9.642 1.901 1.00 0.00 C ATOM 561 CG ASP A 34 9.294 -11.151 1.751 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.279 -11.930 1.736 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.120 -11.571 1.618 1.00 0.00 O ATOM 0 H ASP A 34 8.700 -8.071 3.593 1.00 0.00 H new ATOM 0 HA ASP A 34 10.581 -10.216 3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.595 -9.114 1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.104 -9.282 1.034 1.00 0.00 H new ATOM 568 N THR A 35 11.513 -7.402 2.204 1.00 0.00 N ATOM 569 CA THR A 35 12.634 -6.598 1.677 1.00 0.00 C ATOM 570 C THR A 35 12.537 -5.129 2.074 1.00 0.00 C ATOM 571 O THR A 35 13.540 -4.412 2.074 1.00 0.00 O ATOM 572 CB THR A 35 12.700 -6.651 0.143 1.00 0.00 C ATOM 573 OG1 THR A 35 11.496 -6.150 -0.406 1.00 0.00 O ATOM 574 CG2 THR A 35 12.941 -8.052 -0.416 1.00 0.00 C ATOM 0 H THR A 35 10.606 -6.957 2.064 1.00 0.00 H new ATOM 0 HA THR A 35 13.529 -7.039 2.115 1.00 0.00 H new ATOM 0 HB THR A 35 13.555 -6.037 -0.141 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.543 -6.184 -1.384 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.975 -8.008 -1.505 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.888 -8.436 -0.038 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.132 -8.712 -0.104 1.00 0.00 H new ATOM 582 N GLY A 36 11.328 -4.666 2.406 1.00 0.00 N ATOM 583 CA GLY A 36 11.025 -3.260 2.642 1.00 0.00 C ATOM 584 C GLY A 36 10.713 -2.482 1.364 1.00 0.00 C ATOM 585 O GLY A 36 10.240 -1.356 1.440 1.00 0.00 O ATOM 0 H GLY A 36 10.518 -5.276 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.174 -3.188 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.872 -2.793 3.145 1.00 0.00 H new ATOM 589 N ASN A 37 10.954 -3.046 0.186 1.00 0.00 N ATOM 590 CA ASN A 37 10.849 -2.326 -1.079 1.00 0.00 C ATOM 591 C ASN A 37 9.409 -1.887 -1.418 1.00 0.00 C ATOM 592 O ASN A 37 8.434 -2.482 -0.961 1.00 0.00 O ATOM 593 CB ASN A 37 11.376 -3.276 -2.171 1.00 0.00 C ATOM 594 CG ASN A 37 12.871 -3.562 -2.103 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.642 -2.917 -1.406 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.333 -4.537 -2.851 1.00 0.00 N ATOM 0 H ASN A 37 11.230 -4.022 0.080 1.00 0.00 H new ATOM 0 HA ASN A 37 11.428 -1.405 -1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.836 -4.221 -2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.146 -2.848 -3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.330 -4.753 -2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.695 -5.078 -3.434 1.00 0.00 H new ATOM 603 N ASP A 38 9.266 -0.835 -2.225 1.00 0.00 N ATOM 604 CA ASP A 38 7.980 -0.485 -2.848 1.00 0.00 C ATOM 605 C ASP A 38 7.736 -1.492 -3.996 1.00 0.00 C ATOM 606 O ASP A 38 8.684 -1.836 -4.709 1.00 0.00 O ATOM 607 CB ASP A 38 7.999 0.932 -3.446 1.00 0.00 C ATOM 608 CG ASP A 38 7.059 1.884 -2.704 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.280 2.179 -1.505 1.00 0.00 O ATOM 610 OD2 ASP A 38 6.087 2.347 -3.342 1.00 0.00 O ATOM 0 H ASP A 38 10.029 -0.203 -2.467 1.00 0.00 H new ATOM 0 HA ASP A 38 7.198 -0.520 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.015 1.326 -3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.711 0.885 -4.496 1.00 0.00 H new ATOM 615 N PRO A 39 6.506 -1.974 -4.239 1.00 0.00 N ATOM 616 CA PRO A 39 6.245 -3.082 -5.174 1.00 0.00 C ATOM 617 C PRO A 39 6.526 -2.775 -6.661 1.00 0.00 C ATOM 618 O PRO A 39 6.470 -3.700 -7.475 1.00 0.00 O ATOM 619 CB PRO A 39 4.775 -3.446 -4.947 1.00 0.00 C ATOM 620 CG PRO A 39 4.169 -2.147 -4.423 1.00 0.00 C ATOM 621 CD PRO A 39 5.285 -1.561 -3.573 1.00 0.00 C ATOM 0 HA PRO A 39 6.934 -3.901 -4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.294 -3.771 -5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.668 -4.259 -4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.888 -1.477 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.269 -2.331 -3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.212 -0.475 -3.516 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.244 -1.937 -2.551 1.00 0.00 H new ATOM 629 N ILE A 40 6.831 -1.522 -7.034 1.00 0.00 N ATOM 630 CA ILE A 40 7.023 -1.092 -8.436 1.00 0.00 C ATOM 631 C ILE A 40 8.364 -0.380 -8.636 1.00 0.00 C ATOM 632 O ILE A 40 9.094 -0.705 -9.575 1.00 0.00 O ATOM 633 CB ILE A 40 5.817 -0.236 -8.894 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.593 -1.148 -9.131 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.103 0.573 -10.177 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.274 -0.403 -8.947 1.00 0.00 C ATOM 0 H ILE A 40 6.954 -0.764 -6.362 1.00 0.00 H new ATOM 0 HA ILE A 40 7.063 -1.977 -9.071 1.00 0.00 H new ATOM 0 HB ILE A 40 5.618 0.480 -8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.638 -1.559 -10.139 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.631 -1.991 -8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.220 1.152 -10.447 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.940 1.249 -10.002 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.351 -0.110 -10.990 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.443 -1.086 -9.124 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.214 -0.015 -7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.221 0.424 -9.655 1.00 0.00 H new ATOM 648 N THR A 41 8.718 0.567 -7.761 1.00 0.00 N ATOM 649 CA THR A 41 10.007 1.283 -7.850 1.00 0.00 C ATOM 650 C THR A 41 11.164 0.516 -7.199 1.00 0.00 C ATOM 651 O THR A 41 12.329 0.864 -7.396 1.00 0.00 O ATOM 652 CB THR A 41 9.946 2.675 -7.221 1.00 0.00 C ATOM 653 OG1 THR A 41 9.500 2.525 -5.904 1.00 0.00 O ATOM 654 CG2 THR A 41 8.975 3.614 -7.933 1.00 0.00 C ATOM 0 H THR A 41 8.132 0.860 -6.979 1.00 0.00 H new ATOM 0 HA THR A 41 10.195 1.372 -8.920 1.00 0.00 H new ATOM 0 HB THR A 41 10.942 3.113 -7.291 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.522 2.582 -5.881 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.979 4.585 -7.438 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.282 3.735 -8.972 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.970 3.193 -7.898 1.00 0.00 H new ATOM 662 N ASN A 42 10.849 -0.532 -6.422 1.00 0.00 N ATOM 663 CA ASN A 42 11.721 -1.280 -5.531 1.00 0.00 C ATOM 664 C ASN A 42 12.581 -0.422 -4.589 1.00 0.00 C ATOM 665 O ASN A 42 13.607 -0.880 -4.088 1.00 0.00 O ATOM 666 CB ASN A 42 12.411 -2.431 -6.277 1.00 0.00 C ATOM 667 CG ASN A 42 13.578 -2.035 -7.173 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.519 -2.139 -8.392 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.690 -1.621 -6.610 1.00 0.00 N ATOM 0 H ASN A 42 9.898 -0.900 -6.407 1.00 0.00 H new ATOM 0 HA ASN A 42 11.095 -1.774 -4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.770 -3.152 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.666 -2.942 -6.887 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.498 -1.388 -7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.746 -1.532 -5.595 1.00 0.00 H new ATOM 676 N GLU A 43 12.145 0.810 -4.312 1.00 0.00 N ATOM 677 CA GLU A 43 12.796 1.723 -3.366 1.00 0.00 C ATOM 678 C GLU A 43 12.727 1.160 -1.932 1.00 0.00 C ATOM 679 O GLU A 43 11.613 0.950 -1.438 1.00 0.00 O ATOM 680 CB GLU A 43 12.089 3.076 -3.443 1.00 0.00 C ATOM 681 CG GLU A 43 12.372 3.791 -4.769 1.00 0.00 C ATOM 682 CD GLU A 43 13.492 4.839 -4.627 1.00 0.00 C ATOM 683 OE1 GLU A 43 14.677 4.445 -4.498 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.201 6.059 -4.654 1.00 0.00 O ATOM 0 H GLU A 43 11.313 1.209 -4.747 1.00 0.00 H new ATOM 0 HA GLU A 43 13.849 1.836 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.015 2.932 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.415 3.704 -2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.654 3.058 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.462 4.277 -5.121 1.00 0.00 H new ATOM 691 N PRO A 44 13.863 0.867 -1.264 1.00 0.00 N ATOM 692 CA PRO A 44 13.883 0.318 0.091 1.00 0.00 C ATOM 693 C PRO A 44 13.094 1.154 1.112 1.00 0.00 C ATOM 694 O PRO A 44 13.278 2.370 1.208 1.00 0.00 O ATOM 695 CB PRO A 44 15.361 0.219 0.486 1.00 0.00 C ATOM 696 CG PRO A 44 16.076 0.091 -0.856 1.00 0.00 C ATOM 697 CD PRO A 44 15.227 0.966 -1.773 1.00 0.00 C ATOM 0 HA PRO A 44 13.387 -0.652 0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.691 1.101 1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.549 -0.643 1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 44 17.106 0.442 -0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 44 16.110 -0.943 -1.200 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.575 1.999 -1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.285 0.622 -2.806 1.00 0.00 H new ATOM 705 N LEU A 45 12.267 0.458 1.900 1.00 0.00 N ATOM 706 CA LEU A 45 11.350 0.935 2.952 1.00 0.00 C ATOM 707 C LEU A 45 10.097 1.637 2.383 1.00 0.00 C ATOM 708 O LEU A 45 10.158 2.436 1.444 1.00 0.00 O ATOM 709 CB LEU A 45 12.057 1.737 4.068 1.00 0.00 C ATOM 710 CG LEU A 45 12.918 0.893 5.028 1.00 0.00 C ATOM 711 CD1 LEU A 45 14.225 0.380 4.414 1.00 0.00 C ATOM 712 CD2 LEU A 45 13.289 1.728 6.254 1.00 0.00 C ATOM 0 H LEU A 45 12.215 -0.557 1.811 1.00 0.00 H new ATOM 0 HA LEU A 45 10.980 0.038 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.690 2.494 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.302 2.265 4.650 1.00 0.00 H new ATOM 0 HG LEU A 45 12.306 0.027 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.771 -0.204 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.000 -0.247 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.835 1.226 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.898 1.129 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.853 2.606 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.381 2.045 6.767 1.00 0.00 H new ATOM 724 N SER A 46 8.942 1.330 2.982 1.00 0.00 N ATOM 725 CA SER A 46 7.596 1.712 2.527 1.00 0.00 C ATOM 726 C SER A 46 6.717 2.136 3.701 1.00 0.00 C ATOM 727 O SER A 46 6.085 3.184 3.672 1.00 0.00 O ATOM 728 CB SER A 46 6.938 0.580 1.731 1.00 0.00 C ATOM 729 OG SER A 46 6.084 1.110 0.736 1.00 0.00 O ATOM 0 H SER A 46 8.916 0.781 3.841 1.00 0.00 H new ATOM 0 HA SER A 46 7.703 2.569 1.862 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.705 -0.041 1.268 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.369 -0.063 2.403 1.00 0.00 H new ATOM 0 HG SER A 46 6.621 1.445 -0.012 1.00 0.00 H new ATOM 735 N ILE A 47 6.759 1.359 4.783 1.00 0.00 N ATOM 736 CA ILE A 47 6.119 1.616 6.072 1.00 0.00 C ATOM 737 C ILE A 47 6.538 2.912 6.771 1.00 0.00 C ATOM 738 O ILE A 47 5.720 3.581 7.396 1.00 0.00 O ATOM 739 CB ILE A 47 6.266 0.362 6.968 1.00 0.00 C ATOM 740 CG1 ILE A 47 5.321 0.338 8.187 1.00 0.00 C ATOM 741 CG2 ILE A 47 7.714 0.161 7.448 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.853 0.196 7.780 1.00 0.00 C ATOM 0 H ILE A 47 7.273 0.478 4.782 1.00 0.00 H new ATOM 0 HA ILE A 47 5.063 1.798 5.871 1.00 0.00 H new ATOM 0 HB ILE A 47 5.976 -0.463 6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.596 -0.489 8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.449 1.255 8.762 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.770 -0.730 8.073 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.370 0.041 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.030 1.030 8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.227 0.184 8.673 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.568 1.037 7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.717 -0.734 7.229 1.00 0.00 H new ATOM 754 N GLU A 48 7.776 3.346 6.571 1.00 0.00 N ATOM 755 CA GLU A 48 8.311 4.634 6.970 1.00 0.00 C ATOM 756 C GLU A 48 7.653 5.800 6.199 1.00 0.00 C ATOM 757 O GLU A 48 7.744 6.956 6.614 1.00 0.00 O ATOM 758 CB GLU A 48 9.835 4.512 6.773 1.00 0.00 C ATOM 759 CG GLU A 48 10.448 5.337 5.632 1.00 0.00 C ATOM 760 CD GLU A 48 11.991 5.293 5.612 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.631 5.407 6.686 1.00 0.00 O ATOM 762 OE2 GLU A 48 12.578 5.209 4.507 1.00 0.00 O ATOM 0 H GLU A 48 8.472 2.771 6.097 1.00 0.00 H new ATOM 0 HA GLU A 48 8.088 4.878 8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.323 4.802 7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.074 3.462 6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.068 4.967 4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.121 6.373 5.725 1.00 0.00 H new ATOM 769 N GLU A 49 6.950 5.481 5.106 1.00 0.00 N ATOM 770 CA GLU A 49 6.267 6.412 4.194 1.00 0.00 C ATOM 771 C GLU A 49 4.770 6.073 4.035 1.00 0.00 C ATOM 772 O GLU A 49 4.097 6.596 3.144 1.00 0.00 O ATOM 773 CB GLU A 49 7.004 6.433 2.837 1.00 0.00 C ATOM 774 CG GLU A 49 8.326 7.210 2.850 1.00 0.00 C ATOM 775 CD GLU A 49 8.102 8.736 2.782 1.00 0.00 C ATOM 776 OE1 GLU A 49 7.844 9.374 3.830 1.00 0.00 O ATOM 777 OE2 GLU A 49 8.199 9.313 1.671 1.00 0.00 O ATOM 0 H GLU A 49 6.835 4.510 4.816 1.00 0.00 H new ATOM 0 HA GLU A 49 6.301 7.412 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.202 5.407 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.346 6.870 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.881 6.965 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.939 6.896 2.005 1.00 0.00 H new ATOM 784 N ILE A 50 4.241 5.205 4.906 1.00 0.00 N ATOM 785 CA ILE A 50 2.873 4.679 4.862 1.00 0.00 C ATOM 786 C ILE A 50 1.804 5.786 4.870 1.00 0.00 C ATOM 787 O ILE A 50 1.754 6.644 5.756 1.00 0.00 O ATOM 788 CB ILE A 50 2.678 3.652 6.002 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.430 2.765 5.821 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.629 4.274 7.410 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.653 1.669 4.777 1.00 0.00 C ATOM 0 H ILE A 50 4.776 4.836 5.692 1.00 0.00 H new ATOM 0 HA ILE A 50 2.735 4.168 3.909 1.00 0.00 H new ATOM 0 HB ILE A 50 3.574 3.035 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.168 2.309 6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.585 3.385 5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.490 3.487 8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.564 4.799 7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.799 4.978 7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.749 1.068 4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.889 2.125 3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.481 1.032 5.089 1.00 0.00 H new ATOM 803 N VAL A 51 0.930 5.748 3.865 1.00 0.00 N ATOM 804 CA VAL A 51 -0.287 6.574 3.759 1.00 0.00 C ATOM 805 C VAL A 51 -1.515 5.663 3.742 1.00 0.00 C ATOM 806 O VAL A 51 -1.917 5.158 2.697 1.00 0.00 O ATOM 807 CB VAL A 51 -0.238 7.530 2.543 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.468 8.449 2.519 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.999 8.437 2.569 1.00 0.00 C ATOM 0 H VAL A 51 1.048 5.120 3.070 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.352 7.223 4.633 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.209 6.889 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.410 9.111 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.373 7.844 2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.495 9.044 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.990 9.090 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.987 9.042 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.900 7.824 2.554 1.00 0.00 H new ATOM 819 N GLU A 52 -2.104 5.392 4.909 1.00 0.00 N ATOM 820 CA GLU A 52 -3.336 4.596 4.997 1.00 0.00 C ATOM 821 C GLU A 52 -4.564 5.448 4.633 1.00 0.00 C ATOM 822 O GLU A 52 -4.810 6.503 5.226 1.00 0.00 O ATOM 823 CB GLU A 52 -3.520 3.942 6.378 1.00 0.00 C ATOM 824 CG GLU A 52 -2.257 3.342 7.019 1.00 0.00 C ATOM 825 CD GLU A 52 -2.564 2.681 8.373 1.00 0.00 C ATOM 826 OE1 GLU A 52 -3.621 2.015 8.511 1.00 0.00 O ATOM 827 OE2 GLU A 52 -1.745 2.784 9.313 1.00 0.00 O ATOM 0 H GLU A 52 -1.748 5.712 5.810 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.240 3.787 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.928 4.689 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.266 3.152 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.822 2.604 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.512 4.126 7.157 1.00 0.00 H new ATOM 834 N ILE A 53 -5.330 5.006 3.634 1.00 0.00 N ATOM 835 CA ILE A 53 -6.539 5.664 3.129 1.00 0.00 C ATOM 836 C ILE A 53 -7.745 5.264 3.994 1.00 0.00 C ATOM 837 O ILE A 53 -8.009 4.078 4.201 1.00 0.00 O ATOM 838 CB ILE A 53 -6.777 5.286 1.647 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.529 5.441 0.744 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.959 6.077 1.059 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.912 6.845 0.712 1.00 0.00 C ATOM 0 H ILE A 53 -5.117 4.144 3.133 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.410 6.745 3.186 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.015 4.222 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.769 4.736 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.800 5.158 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.105 5.793 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.863 5.855 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.747 7.145 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.045 6.846 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.650 7.558 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.602 7.129 1.718 1.00 0.00 H new