USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -130:sc= -0.837 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 12 THR OG1 : rot -40:sc= 0.541 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.192 USER MOD Single : A 23 SER OG : rot 9:sc= 1.03 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0104 USER MOD Single : B 102 THR OG1 : rot 180:sc= 0 USER MOD Single : B 104 TYR OH : rot 180:sc= -0.315 USER MOD Single : B 107 THR OG1 : rot 180:sc= 0 USER MOD Single : B 112 THR OG1 : rot -41:sc= 0.345 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 150:sc= 1.37 USER MOD Single : B 123 SER OG : rot 15:sc= 1.04 USER MOD Single : B 127 TYR OH : rot 30:sc= 0.679 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.014 -1.341 4.385 1.00 61.02 N ATOM 2 CA ALA A 1 -10.858 -1.073 3.541 1.00 42.02 C ATOM 3 C ALA A 1 -9.861 -2.197 3.654 1.00 62.34 C ATOM 4 O ALA A 1 -9.251 -2.401 4.711 1.00 45.01 O ATOM 5 CB ALA A 1 -10.186 0.253 3.922 1.00 2.34 C ATOM 0 H1 ALA A 1 -12.695 -0.560 4.299 1.00 61.02 H new ATOM 0 H2 ALA A 1 -12.465 -2.228 4.084 1.00 61.02 H new ATOM 0 H3 ALA A 1 -11.708 -1.427 5.375 1.00 61.02 H new ATOM 0 HA ALA A 1 -11.207 -0.998 2.511 1.00 42.02 H new ATOM 0 HB1 ALA A 1 -9.327 0.425 3.274 1.00 2.34 H new ATOM 0 HB2 ALA A 1 -10.899 1.069 3.804 1.00 2.34 H new ATOM 0 HB3 ALA A 1 -9.855 0.208 4.960 1.00 2.34 H new ATOM 13 N THR A 2 -9.722 -2.949 2.611 1.00 54.23 N ATOM 14 CA THR A 2 -8.710 -3.946 2.555 1.00 41.00 C ATOM 15 C THR A 2 -7.827 -3.609 1.383 1.00 32.40 C ATOM 16 O THR A 2 -8.253 -3.688 0.233 1.00 70.51 O ATOM 17 CB THR A 2 -9.321 -5.356 2.386 1.00 63.11 C ATOM 18 OG1 THR A 2 -10.228 -5.622 3.477 1.00 72.23 O ATOM 19 CG2 THR A 2 -8.234 -6.422 2.370 1.00 24.31 C ATOM 0 H THR A 2 -10.306 -2.888 1.777 1.00 54.23 H new ATOM 0 HA THR A 2 -8.140 -3.960 3.484 1.00 41.00 H new ATOM 0 HB THR A 2 -9.855 -5.387 1.436 1.00 63.11 H new ATOM 0 HG1 THR A 2 -10.617 -6.515 3.369 1.00 72.23 H new ATOM 0 HG21 THR A 2 -8.690 -7.405 2.250 1.00 24.31 H new ATOM 0 HG22 THR A 2 -7.553 -6.234 1.540 1.00 24.31 H new ATOM 0 HG23 THR A 2 -7.680 -6.391 3.308 1.00 24.31 H new ATOM 27 N CYS A 3 -6.622 -3.229 1.666 1.00 72.41 N ATOM 28 CA CYS A 3 -5.704 -2.813 0.649 1.00 24.14 C ATOM 29 C CYS A 3 -4.462 -3.677 0.794 1.00 21.52 C ATOM 30 O CYS A 3 -4.242 -4.248 1.863 1.00 40.04 O ATOM 31 CB CYS A 3 -5.317 -1.326 0.849 1.00 0.12 C ATOM 32 SG CYS A 3 -6.693 -0.088 1.114 1.00 60.21 S ATOM 0 H CYS A 3 -6.243 -3.198 2.613 1.00 72.41 H new ATOM 0 HA CYS A 3 -6.154 -2.919 -0.338 1.00 24.14 H new ATOM 0 HB2 CYS A 3 -4.646 -1.268 1.706 1.00 0.12 H new ATOM 0 HB3 CYS A 3 -4.747 -1.009 -0.024 1.00 0.12 H new ATOM 37 N TYR A 4 -3.657 -3.775 -0.240 1.00 41.52 N ATOM 38 CA TYR A 4 -2.462 -4.587 -0.188 1.00 60.35 C ATOM 39 C TYR A 4 -1.430 -4.118 -1.182 1.00 70.23 C ATOM 40 O TYR A 4 -1.772 -3.566 -2.246 1.00 71.41 O ATOM 41 CB TYR A 4 -2.756 -6.106 -0.299 1.00 73.44 C ATOM 42 CG TYR A 4 -3.576 -6.542 -1.498 1.00 73.22 C ATOM 43 CD1 TYR A 4 -4.962 -6.601 -1.422 1.00 74.44 C ATOM 44 CD2 TYR A 4 -2.969 -6.918 -2.687 1.00 61.25 C ATOM 45 CE1 TYR A 4 -5.719 -7.015 -2.493 1.00 44.30 C ATOM 46 CE2 TYR A 4 -3.722 -7.339 -3.765 1.00 34.43 C ATOM 47 CZ TYR A 4 -5.099 -7.384 -3.662 1.00 21.12 C ATOM 48 OH TYR A 4 -5.858 -7.812 -4.734 1.00 73.00 O ATOM 0 H TYR A 4 -3.809 -3.301 -1.130 1.00 41.52 H new ATOM 0 HA TYR A 4 -2.033 -4.449 0.804 1.00 60.35 H new ATOM 0 HB2 TYR A 4 -1.805 -6.638 -0.322 1.00 73.44 H new ATOM 0 HB3 TYR A 4 -3.276 -6.422 0.605 1.00 73.44 H new ATOM 0 HD1 TYR A 4 -5.455 -6.316 -0.504 1.00 74.44 H new ATOM 0 HD2 TYR A 4 -1.893 -6.881 -2.771 1.00 61.25 H new ATOM 0 HE1 TYR A 4 -6.796 -7.050 -2.415 1.00 44.30 H new ATOM 0 HE2 TYR A 4 -3.237 -7.632 -4.684 1.00 34.43 H new ATOM 0 HH TYR A 4 -5.497 -8.658 -5.073 1.00 73.00 H new ATOM 58 N CYS A 5 -0.190 -4.309 -0.831 1.00 13.32 N ATOM 59 CA CYS A 5 0.925 -3.859 -1.613 1.00 25.43 C ATOM 60 C CYS A 5 1.286 -4.927 -2.648 1.00 21.45 C ATOM 61 O CYS A 5 1.828 -5.993 -2.296 1.00 72.23 O ATOM 62 CB CYS A 5 2.122 -3.606 -0.683 1.00 33.14 C ATOM 63 SG CYS A 5 1.730 -2.595 0.780 1.00 35.41 S ATOM 0 H CYS A 5 0.079 -4.793 0.026 1.00 13.32 H new ATOM 0 HA CYS A 5 0.666 -2.935 -2.130 1.00 25.43 H new ATOM 0 HB2 CYS A 5 2.520 -4.565 -0.352 1.00 33.14 H new ATOM 0 HB3 CYS A 5 2.911 -3.113 -1.251 1.00 33.14 H new ATOM 68 N ARG A 6 0.966 -4.672 -3.906 1.00 61.32 N ATOM 69 CA ARG A 6 1.255 -5.611 -4.967 1.00 44.14 C ATOM 70 C ARG A 6 2.336 -5.146 -5.898 1.00 54.24 C ATOM 71 O ARG A 6 2.363 -4.003 -6.333 1.00 42.22 O ATOM 72 CB ARG A 6 -0.009 -6.166 -5.665 1.00 73.24 C ATOM 73 CG ARG A 6 -1.072 -5.158 -6.081 1.00 23.25 C ATOM 74 CD ARG A 6 -0.752 -4.358 -7.334 1.00 31.13 C ATOM 75 NE ARG A 6 -1.866 -3.401 -7.661 1.00 25.24 N ATOM 76 CZ ARG A 6 -2.147 -2.874 -8.889 1.00 43.30 C ATOM 77 NH1 ARG A 6 -1.416 -3.192 -9.928 1.00 35.24 N ATOM 78 NH2 ARG A 6 -3.171 -2.024 -9.056 1.00 25.31 N ATOM 0 H ARG A 6 0.504 -3.817 -4.214 1.00 61.32 H new ATOM 0 HA ARG A 6 1.686 -6.484 -4.476 1.00 44.14 H new ATOM 0 HB2 ARG A 6 0.308 -6.710 -6.555 1.00 73.24 H new ATOM 0 HB3 ARG A 6 -0.474 -6.891 -4.997 1.00 73.24 H new ATOM 0 HG2 ARG A 6 -2.011 -5.689 -6.238 1.00 23.25 H new ATOM 0 HG3 ARG A 6 -1.233 -4.463 -5.257 1.00 23.25 H new ATOM 0 HD2 ARG A 6 0.176 -3.805 -7.190 1.00 31.13 H new ATOM 0 HD3 ARG A 6 -0.593 -5.036 -8.172 1.00 31.13 H new ATOM 0 HE ARG A 6 -2.471 -3.118 -6.890 1.00 25.24 H new ATOM 0 HH11 ARG A 6 -0.632 -3.836 -9.822 1.00 35.24 H new ATOM 0 HH12 ARG A 6 -1.630 -2.795 -10.843 1.00 35.24 H new ATOM 0 HH21 ARG A 6 -3.752 -1.763 -8.259 1.00 25.31 H new ATOM 0 HH22 ARG A 6 -3.368 -1.639 -9.980 1.00 25.31 H new ATOM 92 N THR A 7 3.192 -6.053 -6.213 1.00 61.22 N ATOM 93 CA THR A 7 4.408 -5.799 -6.959 1.00 41.35 C ATOM 94 C THR A 7 4.177 -5.873 -8.462 1.00 54.05 C ATOM 95 O THR A 7 5.116 -5.802 -9.268 1.00 71.05 O ATOM 96 CB THR A 7 5.451 -6.837 -6.545 1.00 54.33 C ATOM 97 OG1 THR A 7 4.933 -8.145 -6.795 1.00 23.43 O ATOM 98 CG2 THR A 7 5.729 -6.720 -5.067 1.00 21.44 C ATOM 0 H THR A 7 3.075 -7.033 -5.956 1.00 61.22 H new ATOM 0 HA THR A 7 4.753 -4.790 -6.734 1.00 41.35 H new ATOM 0 HB THR A 7 6.366 -6.668 -7.113 1.00 54.33 H new ATOM 0 HG1 THR A 7 5.598 -8.816 -6.533 1.00 23.43 H new ATOM 0 HG21 THR A 7 6.473 -7.462 -4.777 1.00 21.44 H new ATOM 0 HG22 THR A 7 6.107 -5.722 -4.846 1.00 21.44 H new ATOM 0 HG23 THR A 7 4.809 -6.892 -4.509 1.00 21.44 H new ATOM 106 N GLY A 8 2.945 -5.985 -8.826 1.00 50.21 N ATOM 107 CA GLY A 8 2.582 -6.101 -10.182 1.00 75.21 C ATOM 108 C GLY A 8 1.171 -5.753 -10.310 1.00 0.04 C ATOM 109 O GLY A 8 0.803 -4.606 -10.108 1.00 71.13 O ATOM 0 H GLY A 8 2.158 -5.998 -8.177 1.00 50.21 H new ATOM 0 HA2 GLY A 8 3.193 -5.440 -10.797 1.00 75.21 H new ATOM 0 HA3 GLY A 8 2.756 -7.117 -10.536 1.00 75.21 H new ATOM 113 N ARG A 9 0.364 -6.719 -10.560 1.00 11.14 N ATOM 114 CA ARG A 9 -1.032 -6.499 -10.660 1.00 1.25 C ATOM 115 C ARG A 9 -1.755 -7.287 -9.569 1.00 22.54 C ATOM 116 O ARG A 9 -1.127 -7.974 -8.757 1.00 24.15 O ATOM 117 CB ARG A 9 -1.569 -6.878 -12.052 1.00 60.42 C ATOM 118 CG ARG A 9 -1.324 -8.327 -12.441 1.00 3.35 C ATOM 119 CD ARG A 9 -1.940 -8.664 -13.791 1.00 42.35 C ATOM 120 NE ARG A 9 -3.405 -8.529 -13.780 1.00 13.43 N ATOM 121 CZ ARG A 9 -4.169 -8.250 -14.847 1.00 2.23 C ATOM 122 NH1 ARG A 9 -3.625 -8.123 -16.055 1.00 44.55 N ATOM 123 NH2 ARG A 9 -5.477 -8.137 -14.705 1.00 23.21 N ATOM 0 H ARG A 9 0.654 -7.687 -10.701 1.00 11.14 H new ATOM 0 HA ARG A 9 -1.221 -5.435 -10.521 1.00 1.25 H new ATOM 0 HB2 ARG A 9 -2.641 -6.682 -12.081 1.00 60.42 H new ATOM 0 HB3 ARG A 9 -1.106 -6.230 -12.796 1.00 60.42 H new ATOM 0 HG2 ARG A 9 -0.251 -8.518 -12.474 1.00 3.35 H new ATOM 0 HG3 ARG A 9 -1.741 -8.983 -11.677 1.00 3.35 H new ATOM 0 HD2 ARG A 9 -1.522 -8.007 -14.554 1.00 42.35 H new ATOM 0 HD3 ARG A 9 -1.672 -9.684 -14.067 1.00 42.35 H new ATOM 0 HE ARG A 9 -3.880 -8.658 -12.886 1.00 13.43 H new ATOM 0 HH11 ARG A 9 -2.619 -8.238 -16.176 1.00 44.55 H new ATOM 0 HH12 ARG A 9 -4.214 -7.911 -16.860 1.00 44.55 H new ATOM 0 HH21 ARG A 9 -5.903 -8.262 -13.787 1.00 23.21 H new ATOM 0 HH22 ARG A 9 -6.061 -7.925 -15.514 1.00 23.21 H new ATOM 137 N CYS A 10 -3.036 -7.143 -9.538 1.00 24.01 N ATOM 138 CA CYS A 10 -3.902 -7.853 -8.631 1.00 33.21 C ATOM 139 C CYS A 10 -5.206 -8.093 -9.345 1.00 33.41 C ATOM 140 O CYS A 10 -5.437 -7.472 -10.401 1.00 30.53 O ATOM 141 CB CYS A 10 -4.119 -7.039 -7.349 1.00 71.42 C ATOM 142 SG CYS A 10 -4.571 -5.316 -7.625 1.00 72.15 S ATOM 0 H CYS A 10 -3.536 -6.508 -10.161 1.00 24.01 H new ATOM 0 HA CYS A 10 -3.455 -8.803 -8.337 1.00 33.21 H new ATOM 0 HB2 CYS A 10 -4.901 -7.516 -6.759 1.00 71.42 H new ATOM 0 HB3 CYS A 10 -3.206 -7.071 -6.754 1.00 71.42 H new ATOM 147 N ALA A 11 -6.055 -8.966 -8.818 1.00 15.34 N ATOM 148 CA ALA A 11 -7.340 -9.234 -9.448 1.00 61.53 C ATOM 149 C ALA A 11 -8.337 -8.132 -9.117 1.00 34.33 C ATOM 150 O ALA A 11 -9.247 -8.305 -8.297 1.00 73.43 O ATOM 151 CB ALA A 11 -7.875 -10.611 -9.089 1.00 40.11 C ATOM 0 H ALA A 11 -5.879 -9.496 -7.964 1.00 15.34 H new ATOM 0 HA ALA A 11 -7.189 -9.237 -10.527 1.00 61.53 H new ATOM 0 HB1 ALA A 11 -8.835 -10.768 -9.581 1.00 40.11 H new ATOM 0 HB2 ALA A 11 -7.169 -11.373 -9.419 1.00 40.11 H new ATOM 0 HB3 ALA A 11 -8.005 -10.681 -8.009 1.00 40.11 H new ATOM 157 N THR A 12 -8.054 -6.986 -9.689 1.00 13.33 N ATOM 158 CA THR A 12 -8.804 -5.749 -9.572 1.00 11.43 C ATOM 159 C THR A 12 -7.914 -4.651 -10.192 1.00 33.41 C ATOM 160 O THR A 12 -7.985 -3.470 -9.823 1.00 51.02 O ATOM 161 CB THR A 12 -9.151 -5.392 -8.058 1.00 13.03 C ATOM 162 OG1 THR A 12 -9.920 -4.174 -7.978 1.00 21.14 O ATOM 163 CG2 THR A 12 -7.902 -5.247 -7.200 1.00 52.14 C ATOM 0 H THR A 12 -7.237 -6.882 -10.291 1.00 13.33 H new ATOM 0 HA THR A 12 -9.762 -5.840 -10.084 1.00 11.43 H new ATOM 0 HB THR A 12 -9.739 -6.225 -7.673 1.00 13.03 H new ATOM 0 HG1 THR A 12 -9.571 -3.524 -8.623 1.00 21.14 H new ATOM 0 HG21 THR A 12 -8.189 -5.004 -6.177 1.00 52.14 H new ATOM 0 HG22 THR A 12 -7.345 -6.184 -7.207 1.00 52.14 H new ATOM 0 HG23 THR A 12 -7.276 -4.450 -7.600 1.00 52.14 H new ATOM 171 N ARG A 13 -7.102 -5.059 -11.191 1.00 31.01 N ATOM 172 CA ARG A 13 -6.152 -4.173 -11.841 1.00 40.23 C ATOM 173 C ARG A 13 -6.842 -2.919 -12.385 1.00 12.12 C ATOM 174 O ARG A 13 -8.013 -2.972 -12.808 1.00 61.21 O ATOM 175 CB ARG A 13 -5.369 -4.896 -12.936 1.00 52.13 C ATOM 176 CG ARG A 13 -4.353 -4.000 -13.576 1.00 63.12 C ATOM 177 CD ARG A 13 -3.512 -4.688 -14.585 1.00 15.35 C ATOM 178 NE ARG A 13 -2.653 -3.715 -15.260 1.00 11.35 N ATOM 179 CZ ARG A 13 -1.483 -3.970 -15.852 1.00 74.20 C ATOM 180 NH1 ARG A 13 -0.977 -5.195 -15.854 1.00 4.41 N ATOM 181 NH2 ARG A 13 -0.818 -2.990 -16.429 1.00 52.11 N ATOM 0 H ARG A 13 -7.098 -6.011 -11.558 1.00 31.01 H new ATOM 0 HA ARG A 13 -5.435 -3.853 -11.085 1.00 40.23 H new ATOM 0 HB2 ARG A 13 -4.870 -5.767 -12.511 1.00 52.13 H new ATOM 0 HB3 ARG A 13 -6.060 -5.263 -13.695 1.00 52.13 H new ATOM 0 HG2 ARG A 13 -4.865 -3.163 -14.051 1.00 63.12 H new ATOM 0 HG3 ARG A 13 -3.710 -3.582 -12.802 1.00 63.12 H new ATOM 0 HD2 ARG A 13 -2.902 -5.453 -14.104 1.00 15.35 H new ATOM 0 HD3 ARG A 13 -4.144 -5.196 -15.313 1.00 15.35 H new ATOM 0 HE ARG A 13 -2.979 -2.749 -15.281 1.00 11.35 H new ATOM 0 HH11 ARG A 13 -1.482 -5.956 -15.400 1.00 4.41 H new ATOM 0 HH12 ARG A 13 -0.083 -5.377 -16.310 1.00 4.41 H new ATOM 0 HH21 ARG A 13 -1.197 -2.043 -16.422 1.00 52.11 H new ATOM 0 HH22 ARG A 13 0.076 -3.178 -16.883 1.00 52.11 H new ATOM 195 N GLU A 14 -6.109 -1.808 -12.344 1.00 42.34 N ATOM 196 CA GLU A 14 -6.590 -0.474 -12.674 1.00 45.52 C ATOM 197 C GLU A 14 -7.210 0.219 -11.498 1.00 41.21 C ATOM 198 O GLU A 14 -7.427 1.427 -11.506 1.00 13.41 O ATOM 199 CB GLU A 14 -7.348 -0.349 -14.007 1.00 11.10 C ATOM 200 CG GLU A 14 -6.422 -0.168 -15.223 1.00 2.10 C ATOM 201 CD GLU A 14 -5.305 -1.195 -15.335 1.00 4.01 C ATOM 202 OE1 GLU A 14 -4.255 -1.036 -14.647 1.00 20.24 O ATOM 203 OE2 GLU A 14 -5.435 -2.155 -16.136 1.00 24.11 O ATOM 0 H GLU A 14 -5.127 -1.816 -12.069 1.00 42.34 H new ATOM 0 HA GLU A 14 -5.695 0.106 -12.899 1.00 45.52 H new ATOM 0 HB2 GLU A 14 -7.958 -1.240 -14.154 1.00 11.10 H new ATOM 0 HB3 GLU A 14 -8.030 0.499 -13.950 1.00 11.10 H new ATOM 0 HG2 GLU A 14 -7.025 -0.208 -16.130 1.00 2.10 H new ATOM 0 HG3 GLU A 14 -5.978 0.827 -15.179 1.00 2.10 H new ATOM 210 N SER A 15 -7.462 -0.539 -10.455 1.00 35.23 N ATOM 211 CA SER A 15 -7.776 0.052 -9.209 1.00 41.12 C ATOM 212 C SER A 15 -6.457 0.227 -8.473 1.00 63.05 C ATOM 213 O SER A 15 -6.108 -0.522 -7.571 1.00 35.02 O ATOM 214 CB SER A 15 -8.790 -0.767 -8.387 1.00 21.32 C ATOM 215 OG SER A 15 -9.134 -0.095 -7.177 1.00 52.23 O ATOM 0 H SER A 15 -7.452 -1.559 -10.461 1.00 35.23 H new ATOM 0 HA SER A 15 -8.272 1.010 -9.366 1.00 41.12 H new ATOM 0 HB2 SER A 15 -9.689 -0.938 -8.979 1.00 21.32 H new ATOM 0 HB3 SER A 15 -8.369 -1.746 -8.156 1.00 21.32 H new ATOM 0 HG SER A 15 -9.780 -0.635 -6.675 1.00 52.23 H new ATOM 221 N LEU A 16 -5.663 1.124 -8.989 1.00 54.14 N ATOM 222 CA LEU A 16 -4.400 1.447 -8.412 1.00 44.34 C ATOM 223 C LEU A 16 -4.620 2.711 -7.645 1.00 54.04 C ATOM 224 O LEU A 16 -4.963 3.751 -8.204 1.00 41.02 O ATOM 225 CB LEU A 16 -3.309 1.539 -9.530 1.00 3.42 C ATOM 226 CG LEU A 16 -1.816 1.778 -9.167 1.00 13.50 C ATOM 227 CD1 LEU A 16 -0.994 1.737 -10.439 1.00 1.10 C ATOM 228 CD2 LEU A 16 -1.620 3.123 -8.501 1.00 41.42 C ATOM 0 H LEU A 16 -5.883 1.654 -9.832 1.00 54.14 H new ATOM 0 HA LEU A 16 -4.022 0.685 -7.730 1.00 44.34 H new ATOM 0 HB2 LEU A 16 -3.355 0.611 -10.100 1.00 3.42 H new ATOM 0 HB3 LEU A 16 -3.607 2.342 -10.204 1.00 3.42 H new ATOM 0 HG LEU A 16 -1.500 1.000 -8.472 1.00 13.50 H new ATOM 0 HD11 LEU A 16 0.056 1.903 -10.199 1.00 1.10 H new ATOM 0 HD12 LEU A 16 -1.108 0.763 -10.914 1.00 1.10 H new ATOM 0 HD13 LEU A 16 -1.338 2.515 -11.120 1.00 1.10 H new ATOM 0 HD21 LEU A 16 -0.566 3.259 -8.260 1.00 41.42 H new ATOM 0 HD22 LEU A 16 -1.943 3.914 -9.177 1.00 41.42 H new ATOM 0 HD23 LEU A 16 -2.210 3.165 -7.585 1.00 41.42 H new ATOM 240 N SER A 17 -4.457 2.607 -6.393 1.00 21.24 N ATOM 241 CA SER A 17 -4.801 3.655 -5.496 1.00 20.41 C ATOM 242 C SER A 17 -3.566 4.402 -5.011 1.00 41.31 C ATOM 243 O SER A 17 -3.659 5.525 -4.521 1.00 24.01 O ATOM 244 CB SER A 17 -5.539 3.029 -4.337 1.00 73.23 C ATOM 245 OG SER A 17 -6.601 2.208 -4.813 1.00 11.13 O ATOM 0 H SER A 17 -4.073 1.778 -5.939 1.00 21.24 H new ATOM 0 HA SER A 17 -5.428 4.389 -6.002 1.00 20.41 H new ATOM 0 HB2 SER A 17 -4.850 2.433 -3.738 1.00 73.23 H new ATOM 0 HB3 SER A 17 -5.936 3.808 -3.686 1.00 73.23 H new ATOM 0 HG SER A 17 -7.070 1.807 -4.052 1.00 11.13 H new ATOM 251 N GLY A 18 -2.424 3.790 -5.153 1.00 73.41 N ATOM 252 CA GLY A 18 -1.196 4.398 -4.716 1.00 12.30 C ATOM 253 C GLY A 18 -0.028 3.548 -5.092 1.00 1.15 C ATOM 254 O GLY A 18 -0.215 2.391 -5.468 1.00 1.44 O ATOM 0 H GLY A 18 -2.316 2.865 -5.570 1.00 73.41 H new ATOM 0 HA2 GLY A 18 -1.093 5.386 -5.164 1.00 12.30 H new ATOM 0 HA3 GLY A 18 -1.218 4.539 -3.635 1.00 12.30 H new ATOM 258 N VAL A 19 1.156 4.108 -5.043 1.00 13.53 N ATOM 259 CA VAL A 19 2.384 3.374 -5.334 1.00 15.24 C ATOM 260 C VAL A 19 3.483 3.724 -4.379 1.00 42.44 C ATOM 261 O VAL A 19 3.483 4.800 -3.758 1.00 54.02 O ATOM 262 CB VAL A 19 2.919 3.570 -6.782 1.00 43.34 C ATOM 263 CG1 VAL A 19 2.054 2.868 -7.784 1.00 23.14 C ATOM 264 CG2 VAL A 19 3.043 5.048 -7.124 1.00 51.23 C ATOM 0 H VAL A 19 1.306 5.087 -4.801 1.00 13.53 H new ATOM 0 HA VAL A 19 2.097 2.329 -5.221 1.00 15.24 H new ATOM 0 HB VAL A 19 3.913 3.124 -6.826 1.00 43.34 H new ATOM 0 HG11 VAL A 19 2.456 3.025 -8.785 1.00 23.14 H new ATOM 0 HG12 VAL A 19 2.035 1.801 -7.564 1.00 23.14 H new ATOM 0 HG13 VAL A 19 1.041 3.267 -7.733 1.00 23.14 H new ATOM 0 HG21 VAL A 19 3.419 5.156 -8.141 1.00 51.23 H new ATOM 0 HG22 VAL A 19 2.065 5.523 -7.046 1.00 51.23 H new ATOM 0 HG23 VAL A 19 3.734 5.525 -6.429 1.00 51.23 H new ATOM 274 N CYS A 20 4.394 2.826 -4.264 1.00 12.51 N ATOM 275 CA CYS A 20 5.576 2.993 -3.484 1.00 2.42 C ATOM 276 C CYS A 20 6.653 2.116 -4.039 1.00 23.02 C ATOM 277 O CYS A 20 6.475 0.924 -4.171 1.00 1.51 O ATOM 278 CB CYS A 20 5.324 2.700 -1.979 1.00 3.14 C ATOM 279 SG CYS A 20 4.468 1.148 -1.591 1.00 32.10 S ATOM 0 H CYS A 20 4.338 1.919 -4.727 1.00 12.51 H new ATOM 0 HA CYS A 20 5.892 4.034 -3.543 1.00 2.42 H new ATOM 0 HB2 CYS A 20 6.286 2.697 -1.466 1.00 3.14 H new ATOM 0 HB3 CYS A 20 4.743 3.523 -1.563 1.00 3.14 H new ATOM 284 N GLU A 21 7.747 2.686 -4.412 1.00 23.30 N ATOM 285 CA GLU A 21 8.817 1.888 -4.891 1.00 52.25 C ATOM 286 C GLU A 21 9.767 1.686 -3.775 1.00 12.44 C ATOM 287 O GLU A 21 10.276 2.643 -3.187 1.00 23.24 O ATOM 288 CB GLU A 21 9.444 2.482 -6.157 1.00 52.31 C ATOM 289 CG GLU A 21 10.636 1.704 -6.743 1.00 12.55 C ATOM 290 CD GLU A 21 11.958 1.961 -6.037 1.00 20.44 C ATOM 291 OE1 GLU A 21 12.596 2.980 -6.338 1.00 64.42 O ATOM 292 OE2 GLU A 21 12.377 1.161 -5.182 1.00 71.22 O ATOM 0 H GLU A 21 7.921 3.691 -4.395 1.00 23.30 H new ATOM 0 HA GLU A 21 8.460 0.909 -5.211 1.00 52.25 H new ATOM 0 HB2 GLU A 21 8.671 2.556 -6.922 1.00 52.31 H new ATOM 0 HB3 GLU A 21 9.771 3.498 -5.935 1.00 52.31 H new ATOM 0 HG2 GLU A 21 10.416 0.637 -6.700 1.00 12.55 H new ATOM 0 HG3 GLU A 21 10.743 1.965 -7.796 1.00 12.55 H new ATOM 299 N ILE A 22 9.971 0.452 -3.452 1.00 42.34 N ATOM 300 CA ILE A 22 10.737 0.094 -2.305 1.00 60.24 C ATOM 301 C ILE A 22 11.707 -0.999 -2.686 1.00 33.34 C ATOM 302 O ILE A 22 11.313 -2.015 -3.272 1.00 40.21 O ATOM 303 CB ILE A 22 9.810 -0.405 -1.153 1.00 23.30 C ATOM 304 CG1 ILE A 22 8.660 0.599 -0.940 1.00 2.35 C ATOM 305 CG2 ILE A 22 10.617 -0.566 0.137 1.00 33.43 C ATOM 306 CD1 ILE A 22 7.652 0.166 0.063 1.00 72.00 C ATOM 0 H ILE A 22 9.608 -0.342 -3.980 1.00 42.34 H new ATOM 0 HA ILE A 22 11.279 0.971 -1.952 1.00 60.24 H new ATOM 0 HB ILE A 22 9.390 -1.373 -1.425 1.00 23.30 H new ATOM 0 HG12 ILE A 22 9.080 1.555 -0.627 1.00 2.35 H new ATOM 0 HG13 ILE A 22 8.159 0.768 -1.893 1.00 2.35 H new ATOM 0 HG21 ILE A 22 9.962 -0.915 0.935 1.00 33.43 H new ATOM 0 HG22 ILE A 22 11.414 -1.292 -0.021 1.00 33.43 H new ATOM 0 HG23 ILE A 22 11.051 0.394 0.417 1.00 33.43 H new ATOM 0 HD11 ILE A 22 6.878 0.928 0.153 1.00 72.00 H new ATOM 0 HD12 ILE A 22 7.201 -0.774 -0.256 1.00 72.00 H new ATOM 0 HD13 ILE A 22 8.137 0.026 1.029 1.00 72.00 H new ATOM 318 N SER A 23 12.960 -0.777 -2.370 1.00 75.20 N ATOM 319 CA SER A 23 14.094 -1.683 -2.640 1.00 11.33 C ATOM 320 C SER A 23 14.212 -2.081 -4.127 1.00 31.50 C ATOM 321 O SER A 23 14.708 -3.162 -4.453 1.00 2.33 O ATOM 322 CB SER A 23 14.036 -2.934 -1.716 1.00 62.14 C ATOM 323 OG SER A 23 12.821 -3.682 -1.867 1.00 64.35 O ATOM 0 H SER A 23 13.250 0.077 -1.894 1.00 75.20 H new ATOM 0 HA SER A 23 15.001 -1.125 -2.408 1.00 11.33 H new ATOM 0 HB2 SER A 23 14.885 -3.581 -1.935 1.00 62.14 H new ATOM 0 HB3 SER A 23 14.136 -2.618 -0.678 1.00 62.14 H new ATOM 0 HG SER A 23 12.314 -3.332 -2.629 1.00 64.35 H new ATOM 329 N GLY A 24 13.822 -1.180 -5.015 1.00 13.04 N ATOM 330 CA GLY A 24 13.952 -1.435 -6.430 1.00 31.03 C ATOM 331 C GLY A 24 12.775 -2.197 -7.001 1.00 41.03 C ATOM 332 O GLY A 24 12.843 -2.702 -8.130 1.00 73.25 O ATOM 0 H GLY A 24 13.417 -0.274 -4.778 1.00 13.04 H new ATOM 0 HA2 GLY A 24 14.055 -0.487 -6.957 1.00 31.03 H new ATOM 0 HA3 GLY A 24 14.866 -2.000 -6.610 1.00 31.03 H new ATOM 336 N ARG A 25 11.707 -2.298 -6.241 1.00 74.50 N ATOM 337 CA ARG A 25 10.525 -2.980 -6.678 1.00 71.45 C ATOM 338 C ARG A 25 9.341 -2.032 -6.537 1.00 10.24 C ATOM 339 O ARG A 25 9.276 -1.271 -5.568 1.00 32.30 O ATOM 340 CB ARG A 25 10.313 -4.224 -5.827 1.00 65.55 C ATOM 341 CG ARG A 25 9.224 -5.113 -6.343 1.00 51.40 C ATOM 342 CD ARG A 25 9.016 -6.340 -5.472 1.00 21.44 C ATOM 343 NE ARG A 25 10.217 -7.149 -5.323 1.00 32.41 N ATOM 344 CZ ARG A 25 10.231 -8.466 -5.079 1.00 34.35 C ATOM 345 NH1 ARG A 25 9.099 -9.178 -5.085 1.00 61.11 N ATOM 346 NH2 ARG A 25 11.383 -9.070 -4.845 1.00 3.14 N ATOM 0 H ARG A 25 11.641 -1.906 -5.302 1.00 74.50 H new ATOM 0 HA ARG A 25 10.625 -3.286 -7.719 1.00 71.45 H new ATOM 0 HB2 ARG A 25 11.244 -4.789 -5.783 1.00 65.55 H new ATOM 0 HB3 ARG A 25 10.074 -3.922 -4.807 1.00 65.55 H new ATOM 0 HG2 ARG A 25 8.293 -4.548 -6.398 1.00 51.40 H new ATOM 0 HG3 ARG A 25 9.466 -5.428 -7.358 1.00 51.40 H new ATOM 0 HD2 ARG A 25 8.674 -6.024 -4.486 1.00 21.44 H new ATOM 0 HD3 ARG A 25 8.224 -6.953 -5.903 1.00 21.44 H new ATOM 0 HE ARG A 25 11.117 -6.677 -5.411 1.00 32.41 H new ATOM 0 HH11 ARG A 25 8.209 -8.719 -5.277 1.00 61.11 H new ATOM 0 HH12 ARG A 25 9.126 -10.180 -4.897 1.00 61.11 H new ATOM 0 HH21 ARG A 25 12.251 -8.534 -4.851 1.00 3.14 H new ATOM 0 HH22 ARG A 25 11.405 -10.072 -4.658 1.00 3.14 H new ATOM 360 N LEU A 26 8.410 -2.066 -7.475 1.00 61.44 N ATOM 361 CA LEU A 26 7.305 -1.145 -7.421 1.00 43.24 C ATOM 362 C LEU A 26 6.136 -1.805 -6.712 1.00 1.42 C ATOM 363 O LEU A 26 5.670 -2.878 -7.112 1.00 24.20 O ATOM 364 CB LEU A 26 6.840 -0.743 -8.825 1.00 43.34 C ATOM 365 CG LEU A 26 6.419 0.730 -9.013 1.00 24.13 C ATOM 366 CD1 LEU A 26 5.541 1.245 -7.897 1.00 62.13 C ATOM 367 CD2 LEU A 26 7.618 1.616 -9.255 1.00 71.13 C ATOM 0 H LEU A 26 8.402 -2.710 -8.266 1.00 61.44 H new ATOM 0 HA LEU A 26 7.640 -0.255 -6.888 1.00 43.24 H new ATOM 0 HB2 LEU A 26 7.645 -0.960 -9.527 1.00 43.34 H new ATOM 0 HB3 LEU A 26 5.997 -1.377 -9.100 1.00 43.34 H new ATOM 0 HG LEU A 26 5.798 0.764 -9.908 1.00 24.13 H new ATOM 0 HD11 LEU A 26 5.281 2.286 -8.090 1.00 62.13 H new ATOM 0 HD12 LEU A 26 4.631 0.647 -7.844 1.00 62.13 H new ATOM 0 HD13 LEU A 26 6.077 1.174 -6.950 1.00 62.13 H new ATOM 0 HD21 LEU A 26 7.289 2.647 -9.384 1.00 71.13 H new ATOM 0 HD22 LEU A 26 8.294 1.555 -8.402 1.00 71.13 H new ATOM 0 HD23 LEU A 26 8.138 1.287 -10.154 1.00 71.13 H new ATOM 379 N TYR A 27 5.691 -1.180 -5.678 1.00 52.32 N ATOM 380 CA TYR A 27 4.559 -1.614 -4.927 1.00 65.52 C ATOM 381 C TYR A 27 3.352 -0.753 -5.249 1.00 63.44 C ATOM 382 O TYR A 27 3.309 0.421 -4.928 1.00 52.44 O ATOM 383 CB TYR A 27 4.891 -1.592 -3.428 1.00 51.32 C ATOM 384 CG TYR A 27 5.860 -2.666 -3.026 1.00 72.04 C ATOM 385 CD1 TYR A 27 5.405 -3.928 -2.695 1.00 34.44 C ATOM 386 CD2 TYR A 27 7.231 -2.430 -2.991 1.00 13.31 C ATOM 387 CE1 TYR A 27 6.276 -4.927 -2.345 1.00 62.41 C ATOM 388 CE2 TYR A 27 8.112 -3.432 -2.633 1.00 41.31 C ATOM 389 CZ TYR A 27 7.623 -4.677 -2.315 1.00 25.33 C ATOM 390 OH TYR A 27 8.486 -5.684 -1.981 1.00 23.34 O ATOM 0 H TYR A 27 6.116 -0.326 -5.318 1.00 52.32 H new ATOM 0 HA TYR A 27 4.311 -2.639 -5.202 1.00 65.52 H new ATOM 0 HB2 TYR A 27 5.307 -0.619 -3.168 1.00 51.32 H new ATOM 0 HB3 TYR A 27 3.971 -1.708 -2.856 1.00 51.32 H new ATOM 0 HD1 TYR A 27 4.344 -4.131 -2.712 1.00 34.44 H new ATOM 0 HD2 TYR A 27 7.611 -1.452 -3.247 1.00 13.31 H new ATOM 0 HE1 TYR A 27 5.902 -5.908 -2.094 1.00 62.41 H new ATOM 0 HE2 TYR A 27 9.174 -3.239 -2.603 1.00 41.31 H new ATOM 0 HH TYR A 27 9.406 -5.348 -2.006 1.00 23.34 H new ATOM 400 N ARG A 28 2.414 -1.335 -5.943 1.00 22.12 N ATOM 401 CA ARG A 28 1.165 -0.686 -6.276 1.00 5.34 C ATOM 402 C ARG A 28 0.145 -1.092 -5.273 1.00 64.13 C ATOM 403 O ARG A 28 0.072 -2.258 -4.882 1.00 25.22 O ATOM 404 CB ARG A 28 0.689 -1.107 -7.647 1.00 24.15 C ATOM 405 CG ARG A 28 1.496 -0.591 -8.793 1.00 24.24 C ATOM 406 CD ARG A 28 1.184 -1.366 -10.046 1.00 45.31 C ATOM 407 NE ARG A 28 2.013 -0.946 -11.187 1.00 24.42 N ATOM 408 CZ ARG A 28 2.995 -1.683 -11.739 1.00 72.15 C ATOM 409 NH1 ARG A 28 3.428 -2.782 -11.132 1.00 12.32 N ATOM 410 NH2 ARG A 28 3.586 -1.286 -12.863 1.00 43.44 N ATOM 0 H ARG A 28 2.491 -2.287 -6.301 1.00 22.12 H new ATOM 0 HA ARG A 28 1.313 0.394 -6.273 1.00 5.34 H new ATOM 0 HB2 ARG A 28 0.681 -2.196 -7.692 1.00 24.15 H new ATOM 0 HB3 ARG A 28 -0.342 -0.776 -7.772 1.00 24.15 H new ATOM 0 HG2 ARG A 28 1.283 0.466 -8.949 1.00 24.24 H new ATOM 0 HG3 ARG A 28 2.558 -0.671 -8.563 1.00 24.24 H new ATOM 0 HD2 ARG A 28 1.338 -2.429 -9.860 1.00 45.31 H new ATOM 0 HD3 ARG A 28 0.131 -1.236 -10.298 1.00 45.31 H new ATOM 0 HE ARG A 28 1.830 -0.027 -11.590 1.00 24.42 H new ATOM 0 HH11 ARG A 28 3.016 -3.070 -10.244 1.00 12.32 H new ATOM 0 HH12 ARG A 28 4.172 -3.338 -11.553 1.00 12.32 H new ATOM 0 HH21 ARG A 28 3.296 -0.418 -13.313 1.00 43.44 H new ATOM 0 HH22 ARG A 28 4.329 -1.850 -13.275 1.00 43.44 H new ATOM 424 N LEU A 29 -0.639 -0.180 -4.878 1.00 54.33 N ATOM 425 CA LEU A 29 -1.605 -0.431 -3.882 1.00 11.03 C ATOM 426 C LEU A 29 -2.958 -0.523 -4.524 1.00 54.00 C ATOM 427 O LEU A 29 -3.415 0.427 -5.156 1.00 50.42 O ATOM 428 CB LEU A 29 -1.596 0.710 -2.862 1.00 3.13 C ATOM 429 CG LEU A 29 -0.227 1.065 -2.268 1.00 51.24 C ATOM 430 CD1 LEU A 29 -0.344 2.177 -1.265 1.00 5.25 C ATOM 431 CD2 LEU A 29 0.431 -0.133 -1.647 1.00 72.50 C ATOM 0 H LEU A 29 -0.635 0.775 -5.236 1.00 54.33 H new ATOM 0 HA LEU A 29 -1.376 -1.368 -3.374 1.00 11.03 H new ATOM 0 HB2 LEU A 29 -2.006 1.601 -3.338 1.00 3.13 H new ATOM 0 HB3 LEU A 29 -2.268 0.447 -2.045 1.00 3.13 H new ATOM 0 HG LEU A 29 0.403 1.407 -3.089 1.00 51.24 H new ATOM 0 HD11 LEU A 29 0.642 2.407 -0.861 1.00 5.25 H new ATOM 0 HD12 LEU A 29 -0.753 3.063 -1.750 1.00 5.25 H new ATOM 0 HD13 LEU A 29 -1.005 1.869 -0.455 1.00 5.25 H new ATOM 0 HD21 LEU A 29 1.399 0.155 -1.236 1.00 72.50 H new ATOM 0 HD22 LEU A 29 -0.201 -0.522 -0.848 1.00 72.50 H new ATOM 0 HD23 LEU A 29 0.574 -0.903 -2.405 1.00 72.50 H new ATOM 443 N CYS A 30 -3.559 -1.666 -4.423 1.00 41.23 N ATOM 444 CA CYS A 30 -4.911 -1.846 -4.870 1.00 21.20 C ATOM 445 C CYS A 30 -5.747 -2.174 -3.693 1.00 44.33 C ATOM 446 O CYS A 30 -5.276 -2.850 -2.759 1.00 44.20 O ATOM 447 CB CYS A 30 -5.045 -2.864 -6.018 1.00 63.42 C ATOM 448 SG CYS A 30 -4.279 -4.463 -5.798 1.00 54.41 S ATOM 0 H CYS A 30 -3.130 -2.503 -4.029 1.00 41.23 H new ATOM 0 HA CYS A 30 -5.267 -0.916 -5.313 1.00 21.20 H new ATOM 0 HB2 CYS A 30 -6.107 -3.023 -6.204 1.00 63.42 H new ATOM 0 HB3 CYS A 30 -4.628 -2.412 -6.918 1.00 63.42 H new ATOM 453 N CYS A 31 -6.940 -1.678 -3.668 1.00 73.25 N ATOM 454 CA CYS A 31 -7.720 -1.832 -2.502 1.00 61.23 C ATOM 455 C CYS A 31 -9.144 -2.227 -2.845 1.00 0.43 C ATOM 456 O CYS A 31 -9.608 -2.025 -3.977 1.00 42.31 O ATOM 457 CB CYS A 31 -7.670 -0.528 -1.707 1.00 71.44 C ATOM 458 SG CYS A 31 -8.289 -0.648 -0.012 1.00 51.22 S ATOM 0 H CYS A 31 -7.384 -1.171 -4.433 1.00 73.25 H new ATOM 0 HA CYS A 31 -7.314 -2.638 -1.891 1.00 61.23 H new ATOM 0 HB2 CYS A 31 -6.639 -0.176 -1.678 1.00 71.44 H new ATOM 0 HB3 CYS A 31 -8.250 0.227 -2.238 1.00 71.44 H new ATOM 463 N ARG A 32 -9.810 -2.806 -1.883 1.00 61.21 N ATOM 464 CA ARG A 32 -11.175 -3.253 -2.020 1.00 64.23 C ATOM 465 C ARG A 32 -11.959 -2.854 -0.779 1.00 52.53 C ATOM 466 O ARG A 32 -11.345 -2.544 0.271 1.00 61.33 O ATOM 467 CB ARG A 32 -11.204 -4.773 -2.198 1.00 43.52 C ATOM 468 CG ARG A 32 -10.604 -5.547 -1.032 1.00 65.03 C ATOM 469 CD ARG A 32 -10.648 -7.042 -1.267 1.00 11.20 C ATOM 470 NE ARG A 32 -12.018 -7.526 -1.471 1.00 31.00 N ATOM 471 CZ ARG A 32 -12.342 -8.775 -1.804 1.00 20.34 C ATOM 472 NH1 ARG A 32 -11.397 -9.714 -1.885 1.00 63.10 N ATOM 473 NH2 ARG A 32 -13.609 -9.088 -2.042 1.00 13.14 N ATOM 0 H ARG A 32 -9.413 -2.985 -0.961 1.00 61.21 H new ATOM 0 HA ARG A 32 -11.629 -2.789 -2.896 1.00 64.23 H new ATOM 0 HB2 ARG A 32 -12.237 -5.092 -2.339 1.00 43.52 H new ATOM 0 HB3 ARG A 32 -10.664 -5.032 -3.108 1.00 43.52 H new ATOM 0 HG2 ARG A 32 -9.571 -5.233 -0.881 1.00 65.03 H new ATOM 0 HG3 ARG A 32 -11.147 -5.307 -0.118 1.00 65.03 H new ATOM 0 HD2 ARG A 32 -10.042 -7.290 -2.139 1.00 11.20 H new ATOM 0 HD3 ARG A 32 -10.205 -7.556 -0.414 1.00 11.20 H new ATOM 0 HE ARG A 32 -12.778 -6.857 -1.349 1.00 31.00 H new ATOM 0 HH11 ARG A 32 -10.424 -9.476 -1.692 1.00 63.10 H new ATOM 0 HH12 ARG A 32 -11.648 -10.669 -2.140 1.00 63.10 H new ATOM 0 HH21 ARG A 32 -14.333 -8.373 -1.970 1.00 13.14 H new ATOM 0 HH22 ARG A 32 -13.859 -10.043 -2.297 1.00 13.14 H new TER 487 ARG A 32 ATOM 488 N ALA B 101 -9.822 5.955 -4.923 1.00 22.25 N ATOM 489 CA ALA B 101 -9.099 5.497 -3.760 1.00 72.04 C ATOM 490 C ALA B 101 -7.683 6.036 -3.793 1.00 60.41 C ATOM 491 O ALA B 101 -6.976 5.858 -4.780 1.00 1.41 O ATOM 492 CB ALA B 101 -9.070 3.972 -3.733 1.00 10.54 C ATOM 0 HA ALA B 101 -9.601 5.859 -2.863 1.00 72.04 H new ATOM 0 HB1 ALA B 101 -8.523 3.634 -2.853 1.00 10.54 H new ATOM 0 HB2 ALA B 101 -10.090 3.589 -3.695 1.00 10.54 H new ATOM 0 HB3 ALA B 101 -8.576 3.602 -4.631 1.00 10.54 H new ATOM 498 N THR B 102 -7.281 6.722 -2.766 1.00 34.35 N ATOM 499 CA THR B 102 -5.926 7.166 -2.694 1.00 72.21 C ATOM 500 C THR B 102 -5.267 6.501 -1.507 1.00 22.24 C ATOM 501 O THR B 102 -5.612 6.766 -0.354 1.00 40.15 O ATOM 502 CB THR B 102 -5.841 8.702 -2.568 1.00 50.55 C ATOM 503 OG1 THR B 102 -6.550 9.304 -3.662 1.00 33.11 O ATOM 504 CG2 THR B 102 -4.391 9.174 -2.593 1.00 15.40 C ATOM 0 H THR B 102 -7.868 6.984 -1.974 1.00 34.35 H new ATOM 0 HA THR B 102 -5.410 6.891 -3.614 1.00 72.21 H new ATOM 0 HB THR B 102 -6.285 8.997 -1.617 1.00 50.55 H new ATOM 0 HG1 THR B 102 -6.501 10.280 -3.586 1.00 33.11 H new ATOM 0 HG21 THR B 102 -4.360 10.260 -2.503 1.00 15.40 H new ATOM 0 HG22 THR B 102 -3.848 8.725 -1.761 1.00 15.40 H new ATOM 0 HG23 THR B 102 -3.927 8.875 -3.533 1.00 15.40 H new ATOM 512 N CYS B 103 -4.344 5.644 -1.782 1.00 74.03 N ATOM 513 CA CYS B 103 -3.656 4.926 -0.751 1.00 1.22 C ATOM 514 C CYS B 103 -2.191 5.318 -0.819 1.00 73.44 C ATOM 515 O CYS B 103 -1.746 5.890 -1.829 1.00 62.52 O ATOM 516 CB CYS B 103 -3.780 3.398 -0.955 1.00 42.13 C ATOM 517 SG CYS B 103 -5.480 2.655 -1.100 1.00 44.32 S ATOM 0 H CYS B 103 -4.040 5.417 -2.729 1.00 74.03 H new ATOM 0 HA CYS B 103 -4.093 5.173 0.217 1.00 1.22 H new ATOM 0 HB2 CYS B 103 -3.227 3.138 -1.858 1.00 42.13 H new ATOM 0 HB3 CYS B 103 -3.275 2.910 -0.121 1.00 42.13 H new ATOM 522 N TYR B 104 -1.450 5.027 0.220 1.00 12.20 N ATOM 523 CA TYR B 104 -0.034 5.317 0.271 1.00 25.03 C ATOM 524 C TYR B 104 0.634 4.442 1.301 1.00 20.52 C ATOM 525 O TYR B 104 -0.004 4.029 2.288 1.00 2.15 O ATOM 526 CB TYR B 104 0.248 6.813 0.502 1.00 51.45 C ATOM 527 CG TYR B 104 -0.483 7.427 1.668 1.00 61.42 C ATOM 528 CD1 TYR B 104 0.029 7.360 2.947 1.00 50.31 C ATOM 529 CD2 TYR B 104 -1.695 8.080 1.475 1.00 42.32 C ATOM 530 CE1 TYR B 104 -0.639 7.922 4.004 1.00 75.42 C ATOM 531 CE2 TYR B 104 -2.372 8.645 2.525 1.00 65.14 C ATOM 532 CZ TYR B 104 -1.844 8.567 3.789 1.00 10.21 C ATOM 533 OH TYR B 104 -2.523 9.133 4.845 1.00 53.14 O ATOM 0 H TYR B 104 -1.812 4.579 1.062 1.00 12.20 H new ATOM 0 HA TYR B 104 0.397 5.084 -0.703 1.00 25.03 H new ATOM 0 HB2 TYR B 104 1.319 6.946 0.653 1.00 51.45 H new ATOM 0 HB3 TYR B 104 -0.017 7.361 -0.402 1.00 51.45 H new ATOM 0 HD1 TYR B 104 0.970 6.858 3.118 1.00 50.31 H new ATOM 0 HD2 TYR B 104 -2.111 8.143 0.480 1.00 42.32 H new ATOM 0 HE1 TYR B 104 -0.226 7.862 5.000 1.00 75.42 H new ATOM 0 HE2 TYR B 104 -3.313 9.147 2.358 1.00 65.14 H new ATOM 0 HH TYR B 104 -3.350 9.546 4.519 1.00 53.14 H new ATOM 543 N CYS B 105 1.880 4.147 1.070 1.00 45.31 N ATOM 544 CA CYS B 105 2.626 3.253 1.911 1.00 34.02 C ATOM 545 C CYS B 105 3.340 4.047 3.012 1.00 72.33 C ATOM 546 O CYS B 105 4.232 4.857 2.735 1.00 43.13 O ATOM 547 CB CYS B 105 3.643 2.494 1.046 1.00 71.30 C ATOM 548 SG CYS B 105 2.904 1.723 -0.429 1.00 71.21 S ATOM 0 H CYS B 105 2.413 4.523 0.286 1.00 45.31 H new ATOM 0 HA CYS B 105 1.954 2.539 2.387 1.00 34.02 H new ATOM 0 HB2 CYS B 105 4.428 3.182 0.733 1.00 71.30 H new ATOM 0 HB3 CYS B 105 4.119 1.722 1.651 1.00 71.30 H new ATOM 553 N ARG B 106 2.923 3.843 4.245 1.00 31.21 N ATOM 554 CA ARG B 106 3.515 4.521 5.398 1.00 60.41 C ATOM 555 C ARG B 106 4.380 3.563 6.205 1.00 31.54 C ATOM 556 O ARG B 106 4.084 2.388 6.291 1.00 10.43 O ATOM 557 CB ARG B 106 2.435 5.148 6.307 1.00 22.12 C ATOM 558 CG ARG B 106 1.267 4.228 6.603 1.00 41.43 C ATOM 559 CD ARG B 106 0.465 4.675 7.802 1.00 53.23 C ATOM 560 NE ARG B 106 -0.783 3.892 7.972 1.00 43.20 N ATOM 561 CZ ARG B 106 -1.347 3.560 9.149 1.00 22.42 C ATOM 562 NH1 ARG B 106 -0.672 3.705 10.274 1.00 51.44 N ATOM 563 NH2 ARG B 106 -2.565 3.033 9.184 1.00 24.32 N ATOM 0 H ARG B 106 2.165 3.204 4.484 1.00 31.21 H new ATOM 0 HA ARG B 106 4.142 5.325 5.011 1.00 60.41 H new ATOM 0 HB2 ARG B 106 2.896 5.447 7.248 1.00 22.12 H new ATOM 0 HB3 ARG B 106 2.059 6.055 5.834 1.00 22.12 H new ATOM 0 HG2 ARG B 106 0.615 4.183 5.731 1.00 41.43 H new ATOM 0 HG3 ARG B 106 1.639 3.218 6.776 1.00 41.43 H new ATOM 0 HD2 ARG B 106 1.076 4.580 8.700 1.00 53.23 H new ATOM 0 HD3 ARG B 106 0.216 5.731 7.696 1.00 53.23 H new ATOM 0 HE ARG B 106 -1.255 3.578 7.124 1.00 43.20 H new ATOM 0 HH11 ARG B 106 0.280 4.070 10.254 1.00 51.44 H new ATOM 0 HH12 ARG B 106 -1.103 3.452 11.163 1.00 51.44 H new ATOM 0 HH21 ARG B 106 -3.079 2.878 8.317 1.00 24.32 H new ATOM 0 HH22 ARG B 106 -2.987 2.783 10.078 1.00 24.32 H new ATOM 577 N THR B 107 5.422 4.076 6.809 1.00 64.40 N ATOM 578 CA THR B 107 6.338 3.265 7.594 1.00 33.12 C ATOM 579 C THR B 107 5.865 3.152 9.043 1.00 61.43 C ATOM 580 O THR B 107 6.414 2.386 9.838 1.00 64.15 O ATOM 581 CB THR B 107 7.761 3.874 7.571 1.00 35.14 C ATOM 582 OG1 THR B 107 7.715 5.237 8.032 1.00 32.14 O ATOM 583 CG2 THR B 107 8.340 3.841 6.172 1.00 42.24 C ATOM 0 H THR B 107 5.665 5.066 6.775 1.00 64.40 H new ATOM 0 HA THR B 107 6.361 2.271 7.148 1.00 33.12 H new ATOM 0 HB THR B 107 8.396 3.280 8.228 1.00 35.14 H new ATOM 0 HG1 THR B 107 8.618 5.618 8.017 1.00 32.14 H new ATOM 0 HG21 THR B 107 9.340 4.274 6.182 1.00 42.24 H new ATOM 0 HG22 THR B 107 8.395 2.809 5.825 1.00 42.24 H new ATOM 0 HG23 THR B 107 7.702 4.416 5.501 1.00 42.24 H new ATOM 591 N GLY B 108 4.846 3.902 9.372 1.00 35.53 N ATOM 592 CA GLY B 108 4.359 3.946 10.699 1.00 33.24 C ATOM 593 C GLY B 108 2.984 4.509 10.731 1.00 53.32 C ATOM 594 O GLY B 108 2.016 3.794 10.541 1.00 14.04 O ATOM 0 H GLY B 108 4.339 4.496 8.716 1.00 35.53 H new ATOM 0 HA2 GLY B 108 4.357 2.943 11.125 1.00 33.24 H new ATOM 0 HA3 GLY B 108 5.021 4.553 11.316 1.00 33.24 H new ATOM 598 N ARG B 109 2.883 5.781 10.898 1.00 23.44 N ATOM 599 CA ARG B 109 1.598 6.416 11.012 1.00 21.02 C ATOM 600 C ARG B 109 1.320 7.355 9.829 1.00 13.41 C ATOM 601 O ARG B 109 2.181 7.596 8.988 1.00 62.53 O ATOM 602 CB ARG B 109 1.509 7.199 12.324 1.00 14.34 C ATOM 603 CG ARG B 109 2.637 8.211 12.476 1.00 51.32 C ATOM 604 CD ARG B 109 2.548 9.008 13.762 1.00 35.21 C ATOM 605 NE ARG B 109 1.417 9.940 13.795 1.00 44.52 N ATOM 606 CZ ARG B 109 1.085 10.680 14.860 1.00 24.13 C ATOM 607 NH1 ARG B 109 1.783 10.576 15.988 1.00 21.23 N ATOM 608 NH2 ARG B 109 0.089 11.541 14.781 1.00 41.32 N ATOM 0 H ARG B 109 3.679 6.416 10.960 1.00 23.44 H new ATOM 0 HA ARG B 109 0.843 5.630 11.003 1.00 21.02 H new ATOM 0 HB2 ARG B 109 0.551 7.717 12.370 1.00 14.34 H new ATOM 0 HB3 ARG B 109 1.535 6.502 13.162 1.00 14.34 H new ATOM 0 HG2 ARG B 109 3.593 7.689 12.444 1.00 51.32 H new ATOM 0 HG3 ARG B 109 2.620 8.896 11.628 1.00 51.32 H new ATOM 0 HD2 ARG B 109 2.465 8.319 14.602 1.00 35.21 H new ATOM 0 HD3 ARG B 109 3.474 9.567 13.898 1.00 35.21 H new ATOM 0 HE ARG B 109 0.847 10.030 12.954 1.00 44.52 H new ATOM 0 HH11 ARG B 109 2.572 9.932 16.042 1.00 21.23 H new ATOM 0 HH12 ARG B 109 1.529 11.140 16.799 1.00 21.23 H new ATOM 0 HH21 ARG B 109 -0.429 11.643 13.908 1.00 41.32 H new ATOM 0 HH22 ARG B 109 -0.164 12.105 15.593 1.00 41.32 H new ATOM 622 N CYS B 110 0.109 7.835 9.773 1.00 53.41 N ATOM 623 CA CYS B 110 -0.345 8.800 8.803 1.00 53.34 C ATOM 624 C CYS B 110 -1.379 9.656 9.488 1.00 44.14 C ATOM 625 O CYS B 110 -1.816 9.292 10.590 1.00 51.32 O ATOM 626 CB CYS B 110 -0.897 8.127 7.532 1.00 61.10 C ATOM 627 SG CYS B 110 -2.181 6.891 7.805 1.00 25.31 S ATOM 0 H CYS B 110 -0.621 7.555 10.428 1.00 53.41 H new ATOM 0 HA CYS B 110 0.487 9.414 8.458 1.00 53.34 H new ATOM 0 HB2 CYS B 110 -1.295 8.901 6.876 1.00 61.10 H new ATOM 0 HB3 CYS B 110 -0.069 7.655 7.003 1.00 61.10 H new ATOM 632 N ALA B 111 -1.788 10.768 8.878 1.00 12.11 N ATOM 633 CA ALA B 111 -2.762 11.708 9.488 1.00 2.53 C ATOM 634 C ALA B 111 -4.198 11.133 9.496 1.00 73.21 C ATOM 635 O ALA B 111 -5.187 11.871 9.544 1.00 71.42 O ATOM 636 CB ALA B 111 -2.727 13.038 8.747 1.00 65.14 C ATOM 0 H ALA B 111 -1.464 11.052 7.954 1.00 12.11 H new ATOM 0 HA ALA B 111 -2.472 11.861 10.527 1.00 2.53 H new ATOM 0 HB1 ALA B 111 -3.443 13.725 9.198 1.00 65.14 H new ATOM 0 HB2 ALA B 111 -1.726 13.464 8.811 1.00 65.14 H new ATOM 0 HB3 ALA B 111 -2.987 12.878 7.701 1.00 65.14 H new ATOM 642 N THR B 112 -4.281 9.836 9.500 1.00 12.45 N ATOM 643 CA THR B 112 -5.499 9.101 9.550 1.00 11.13 C ATOM 644 C THR B 112 -5.172 7.727 10.174 1.00 44.23 C ATOM 645 O THR B 112 -5.644 6.677 9.728 1.00 44.22 O ATOM 646 CB THR B 112 -6.126 8.957 8.117 1.00 33.54 C ATOM 647 OG1 THR B 112 -7.374 8.245 8.179 1.00 14.23 O ATOM 648 CG2 THR B 112 -5.177 8.259 7.150 1.00 15.50 C ATOM 0 H THR B 112 -3.456 9.237 9.467 1.00 12.45 H new ATOM 0 HA THR B 112 -6.243 9.619 10.155 1.00 11.13 H new ATOM 0 HB THR B 112 -6.306 9.964 7.742 1.00 33.54 H new ATOM 0 HG1 THR B 112 -7.291 7.494 8.803 1.00 14.23 H new ATOM 0 HG21 THR B 112 -5.649 8.180 6.171 1.00 15.50 H new ATOM 0 HG22 THR B 112 -4.256 8.836 7.063 1.00 15.50 H new ATOM 0 HG23 THR B 112 -4.946 7.261 7.523 1.00 15.50 H new ATOM 656 N ARG B 113 -4.375 7.765 11.244 1.00 43.23 N ATOM 657 CA ARG B 113 -3.953 6.562 11.943 1.00 40.34 C ATOM 658 C ARG B 113 -5.189 5.811 12.448 1.00 24.13 C ATOM 659 O ARG B 113 -6.215 6.437 12.732 1.00 1.13 O ATOM 660 CB ARG B 113 -3.020 6.910 13.087 1.00 43.31 C ATOM 661 CG ARG B 113 -2.332 5.705 13.689 1.00 71.45 C ATOM 662 CD ARG B 113 -1.448 6.110 14.815 1.00 53.21 C ATOM 663 NE ARG B 113 -0.654 4.993 15.340 1.00 53.12 N ATOM 664 CZ ARG B 113 -0.440 4.735 16.638 1.00 61.35 C ATOM 665 NH1 ARG B 113 -1.076 5.430 17.574 1.00 72.25 N ATOM 666 NH2 ARG B 113 0.402 3.763 16.990 1.00 33.20 N ATOM 0 H ARG B 113 -4.009 8.629 11.644 1.00 43.23 H new ATOM 0 HA ARG B 113 -3.404 5.917 11.256 1.00 40.34 H new ATOM 0 HB2 ARG B 113 -2.264 7.610 12.730 1.00 43.31 H new ATOM 0 HB3 ARG B 113 -3.586 7.422 13.865 1.00 43.31 H new ATOM 0 HG2 ARG B 113 -3.078 4.994 14.044 1.00 71.45 H new ATOM 0 HG3 ARG B 113 -1.745 5.196 12.925 1.00 71.45 H new ATOM 0 HD2 ARG B 113 -0.778 6.901 14.479 1.00 53.21 H new ATOM 0 HD3 ARG B 113 -2.056 6.527 15.618 1.00 53.21 H new ATOM 0 HE ARG B 113 -0.230 4.361 14.661 1.00 53.12 H new ATOM 0 HH11 ARG B 113 -1.731 6.165 17.307 1.00 72.25 H new ATOM 0 HH12 ARG B 113 -0.909 5.229 18.560 1.00 72.25 H new ATOM 0 HH21 ARG B 113 0.881 3.219 16.273 1.00 33.20 H new ATOM 0 HH22 ARG B 113 0.567 3.564 17.977 1.00 33.20 H new ATOM 680 N GLU B 114 -5.080 4.490 12.534 1.00 65.34 N ATOM 681 CA GLU B 114 -6.192 3.568 12.831 1.00 13.24 C ATOM 682 C GLU B 114 -6.960 3.178 11.586 1.00 13.20 C ATOM 683 O GLU B 114 -7.651 2.157 11.561 1.00 43.31 O ATOM 684 CB GLU B 114 -7.097 3.968 14.020 1.00 14.41 C ATOM 685 CG GLU B 114 -6.494 3.676 15.396 1.00 42.41 C ATOM 686 CD GLU B 114 -5.130 4.280 15.613 1.00 65.13 C ATOM 687 OE1 GLU B 114 -5.043 5.470 15.959 1.00 3.43 O ATOM 688 OE2 GLU B 114 -4.120 3.561 15.457 1.00 75.45 O ATOM 0 H GLU B 114 -4.192 4.007 12.396 1.00 65.34 H new ATOM 0 HA GLU B 114 -5.704 2.665 13.199 1.00 13.24 H new ATOM 0 HB2 GLU B 114 -7.317 5.033 13.951 1.00 14.41 H new ATOM 0 HB3 GLU B 114 -8.046 3.440 13.933 1.00 14.41 H new ATOM 0 HG2 GLU B 114 -7.171 4.050 16.164 1.00 42.41 H new ATOM 0 HG3 GLU B 114 -6.426 2.596 15.529 1.00 42.41 H new ATOM 695 N SER B 115 -6.817 3.964 10.539 1.00 22.44 N ATOM 696 CA SER B 115 -7.358 3.603 9.263 1.00 20.50 C ATOM 697 C SER B 115 -6.290 2.785 8.533 1.00 44.11 C ATOM 698 O SER B 115 -5.679 3.233 7.585 1.00 63.02 O ATOM 699 CB SER B 115 -7.783 4.859 8.452 1.00 74.34 C ATOM 700 OG SER B 115 -8.440 4.531 7.225 1.00 3.11 O ATOM 0 H SER B 115 -6.327 4.859 10.556 1.00 22.44 H new ATOM 0 HA SER B 115 -8.264 3.009 9.385 1.00 20.50 H new ATOM 0 HB2 SER B 115 -8.447 5.472 9.062 1.00 74.34 H new ATOM 0 HB3 SER B 115 -6.901 5.462 8.236 1.00 74.34 H new ATOM 0 HG SER B 115 -8.687 5.355 6.756 1.00 3.11 H new ATOM 706 N LEU B 116 -6.005 1.621 9.066 1.00 60.13 N ATOM 707 CA LEU B 116 -5.023 0.739 8.495 1.00 41.41 C ATOM 708 C LEU B 116 -5.785 -0.293 7.703 1.00 2.42 C ATOM 709 O LEU B 116 -6.678 -0.971 8.231 1.00 52.43 O ATOM 710 CB LEU B 116 -4.146 0.130 9.636 1.00 74.20 C ATOM 711 CG LEU B 116 -2.874 -0.704 9.305 1.00 51.22 C ATOM 712 CD1 LEU B 116 -2.188 -1.088 10.606 1.00 14.31 C ATOM 713 CD2 LEU B 116 -3.226 -1.960 8.549 1.00 30.32 C ATOM 0 H LEU B 116 -6.450 1.261 9.910 1.00 60.13 H new ATOM 0 HA LEU B 116 -4.328 1.250 7.828 1.00 41.41 H new ATOM 0 HB2 LEU B 116 -3.830 0.956 10.273 1.00 74.20 H new ATOM 0 HB3 LEU B 116 -4.798 -0.505 10.237 1.00 74.20 H new ATOM 0 HG LEU B 116 -2.215 -0.099 8.682 1.00 51.22 H new ATOM 0 HD11 LEU B 116 -1.295 -1.673 10.387 1.00 14.31 H new ATOM 0 HD12 LEU B 116 -1.907 -0.186 11.149 1.00 14.31 H new ATOM 0 HD13 LEU B 116 -2.870 -1.681 11.216 1.00 14.31 H new ATOM 0 HD21 LEU B 116 -2.317 -2.521 8.332 1.00 30.32 H new ATOM 0 HD22 LEU B 116 -3.895 -2.573 9.153 1.00 30.32 H new ATOM 0 HD23 LEU B 116 -3.721 -1.696 7.614 1.00 30.32 H new ATOM 725 N SER B 117 -5.470 -0.382 6.461 1.00 31.43 N ATOM 726 CA SER B 117 -6.184 -1.228 5.562 1.00 43.13 C ATOM 727 C SER B 117 -5.334 -2.375 5.031 1.00 73.43 C ATOM 728 O SER B 117 -5.848 -3.281 4.374 1.00 73.24 O ATOM 729 CB SER B 117 -6.701 -0.373 4.442 1.00 24.51 C ATOM 730 OG SER B 117 -5.648 0.393 3.875 1.00 73.32 O ATOM 0 H SER B 117 -4.702 0.134 6.031 1.00 31.43 H new ATOM 0 HA SER B 117 -7.007 -1.701 6.097 1.00 43.13 H new ATOM 0 HB2 SER B 117 -7.155 -1.002 3.676 1.00 24.51 H new ATOM 0 HB3 SER B 117 -7.482 0.290 4.814 1.00 24.51 H new ATOM 0 HG SER B 117 -5.836 0.556 2.927 1.00 73.32 H new ATOM 736 N GLY B 118 -4.054 -2.331 5.297 1.00 71.23 N ATOM 737 CA GLY B 118 -3.174 -3.378 4.850 1.00 60.23 C ATOM 738 C GLY B 118 -1.784 -3.172 5.362 1.00 53.31 C ATOM 739 O GLY B 118 -1.457 -2.079 5.835 1.00 11.33 O ATOM 0 H GLY B 118 -3.599 -1.583 5.820 1.00 71.23 H new ATOM 0 HA2 GLY B 118 -3.550 -4.343 5.190 1.00 60.23 H new ATOM 0 HA3 GLY B 118 -3.162 -3.406 3.760 1.00 60.23 H new ATOM 743 N VAL B 119 -0.983 -4.202 5.309 1.00 24.01 N ATOM 744 CA VAL B 119 0.407 -4.133 5.719 1.00 75.52 C ATOM 745 C VAL B 119 1.301 -4.887 4.778 1.00 75.25 C ATOM 746 O VAL B 119 0.927 -5.931 4.224 1.00 23.31 O ATOM 747 CB VAL B 119 0.674 -4.657 7.165 1.00 11.30 C ATOM 748 CG1 VAL B 119 0.222 -3.670 8.214 1.00 22.42 C ATOM 749 CG2 VAL B 119 -0.012 -5.992 7.382 1.00 34.11 C ATOM 0 H VAL B 119 -1.272 -5.123 4.979 1.00 24.01 H new ATOM 0 HA VAL B 119 0.637 -3.068 5.699 1.00 75.52 H new ATOM 0 HB VAL B 119 1.752 -4.785 7.268 1.00 11.30 H new ATOM 0 HG11 VAL B 119 0.426 -4.074 9.206 1.00 22.42 H new ATOM 0 HG12 VAL B 119 0.761 -2.731 8.087 1.00 22.42 H new ATOM 0 HG13 VAL B 119 -0.848 -3.491 8.108 1.00 22.42 H new ATOM 0 HG21 VAL B 119 0.185 -6.342 8.395 1.00 34.11 H new ATOM 0 HG22 VAL B 119 -1.087 -5.876 7.241 1.00 34.11 H new ATOM 0 HG23 VAL B 119 0.372 -6.719 6.666 1.00 34.11 H new ATOM 759 N CYS B 120 2.447 -4.360 4.588 1.00 54.40 N ATOM 760 CA CYS B 120 3.471 -4.985 3.833 1.00 63.22 C ATOM 761 C CYS B 120 4.801 -4.723 4.481 1.00 54.13 C ATOM 762 O CYS B 120 5.246 -3.599 4.572 1.00 14.14 O ATOM 763 CB CYS B 120 3.441 -4.562 2.341 1.00 75.40 C ATOM 764 SG CYS B 120 3.340 -2.778 2.011 1.00 4.42 S ATOM 0 H CYS B 120 2.712 -3.450 4.965 1.00 54.40 H new ATOM 0 HA CYS B 120 3.297 -6.061 3.831 1.00 63.22 H new ATOM 0 HB2 CYS B 120 4.338 -4.949 1.858 1.00 75.40 H new ATOM 0 HB3 CYS B 120 2.588 -5.047 1.865 1.00 75.40 H new ATOM 769 N GLU B 121 5.426 -5.749 4.960 1.00 33.13 N ATOM 770 CA GLU B 121 6.685 -5.578 5.589 1.00 41.45 C ATOM 771 C GLU B 121 7.733 -5.885 4.564 1.00 3.44 C ATOM 772 O GLU B 121 7.905 -7.035 4.142 1.00 11.12 O ATOM 773 CB GLU B 121 6.833 -6.474 6.817 1.00 4.34 C ATOM 774 CG GLU B 121 8.126 -6.227 7.580 1.00 21.12 C ATOM 775 CD GLU B 121 8.349 -7.183 8.723 1.00 40.52 C ATOM 776 OE1 GLU B 121 7.823 -6.948 9.827 1.00 74.04 O ATOM 777 OE2 GLU B 121 9.067 -8.181 8.540 1.00 63.32 O ATOM 0 H GLU B 121 5.083 -6.709 4.926 1.00 33.13 H new ATOM 0 HA GLU B 121 6.787 -4.555 5.952 1.00 41.45 H new ATOM 0 HB2 GLU B 121 5.987 -6.310 7.484 1.00 4.34 H new ATOM 0 HB3 GLU B 121 6.795 -7.518 6.505 1.00 4.34 H new ATOM 0 HG2 GLU B 121 8.965 -6.300 6.888 1.00 21.12 H new ATOM 0 HG3 GLU B 121 8.120 -5.208 7.967 1.00 21.12 H new ATOM 784 N ILE B 122 8.393 -4.857 4.137 1.00 1.35 N ATOM 785 CA ILE B 122 9.339 -4.935 3.071 1.00 73.53 C ATOM 786 C ILE B 122 10.688 -4.542 3.606 1.00 4.14 C ATOM 787 O ILE B 122 10.822 -3.501 4.257 1.00 61.32 O ATOM 788 CB ILE B 122 8.934 -3.967 1.939 1.00 60.23 C ATOM 789 CG1 ILE B 122 7.455 -4.183 1.597 1.00 73.45 C ATOM 790 CG2 ILE B 122 9.808 -4.206 0.711 1.00 31.15 C ATOM 791 CD1 ILE B 122 6.897 -3.164 0.672 1.00 51.24 C ATOM 0 H ILE B 122 8.287 -3.921 4.528 1.00 1.35 H new ATOM 0 HA ILE B 122 9.369 -5.950 2.674 1.00 73.53 H new ATOM 0 HB ILE B 122 9.078 -2.937 2.267 1.00 60.23 H new ATOM 0 HG12 ILE B 122 7.336 -5.170 1.150 1.00 73.45 H new ATOM 0 HG13 ILE B 122 6.874 -4.179 2.519 1.00 73.45 H new ATOM 0 HG21 ILE B 122 9.516 -3.519 -0.083 1.00 31.15 H new ATOM 0 HG22 ILE B 122 10.853 -4.038 0.970 1.00 31.15 H new ATOM 0 HG23 ILE B 122 9.680 -5.233 0.368 1.00 31.15 H new ATOM 0 HD11 ILE B 122 5.847 -3.385 0.478 1.00 51.24 H new ATOM 0 HD12 ILE B 122 6.982 -2.176 1.125 1.00 51.24 H new ATOM 0 HD13 ILE B 122 7.451 -3.182 -0.266 1.00 51.24 H new ATOM 803 N SER B 123 11.673 -5.367 3.344 1.00 62.33 N ATOM 804 CA SER B 123 13.058 -5.200 3.819 1.00 12.02 C ATOM 805 C SER B 123 13.128 -5.014 5.357 1.00 51.41 C ATOM 806 O SER B 123 14.037 -4.362 5.887 1.00 54.31 O ATOM 807 CB SER B 123 13.780 -4.054 3.045 1.00 3.03 C ATOM 808 OG SER B 123 13.097 -2.798 3.130 1.00 43.52 O ATOM 0 H SER B 123 11.546 -6.205 2.777 1.00 62.33 H new ATOM 0 HA SER B 123 13.596 -6.123 3.603 1.00 12.02 H new ATOM 0 HB2 SER B 123 14.790 -3.938 3.439 1.00 3.03 H new ATOM 0 HB3 SER B 123 13.877 -4.337 1.997 1.00 3.03 H new ATOM 0 HG SER B 123 12.429 -2.837 3.846 1.00 43.52 H new ATOM 814 N GLY B 124 12.198 -5.654 6.059 1.00 43.13 N ATOM 815 CA GLY B 124 12.159 -5.595 7.511 1.00 61.35 C ATOM 816 C GLY B 124 11.394 -4.396 8.038 1.00 13.43 C ATOM 817 O GLY B 124 11.080 -4.319 9.233 1.00 13.45 O ATOM 0 H GLY B 124 11.460 -6.221 5.641 1.00 43.13 H new ATOM 0 HA2 GLY B 124 11.701 -6.507 7.893 1.00 61.35 H new ATOM 0 HA3 GLY B 124 13.179 -5.565 7.895 1.00 61.35 H new ATOM 821 N ARG B 125 11.080 -3.481 7.164 1.00 20.41 N ATOM 822 CA ARG B 125 10.392 -2.270 7.521 1.00 43.15 C ATOM 823 C ARG B 125 8.914 -2.484 7.276 1.00 75.11 C ATOM 824 O ARG B 125 8.541 -3.064 6.259 1.00 32.33 O ATOM 825 CB ARG B 125 10.910 -1.163 6.629 1.00 2.31 C ATOM 826 CG ARG B 125 10.441 0.223 6.983 1.00 53.45 C ATOM 827 CD ARG B 125 11.028 1.219 6.014 1.00 54.11 C ATOM 828 NE ARG B 125 12.493 1.128 5.965 1.00 52.20 N ATOM 829 CZ ARG B 125 13.241 1.381 4.879 1.00 72.20 C ATOM 830 NH1 ARG B 125 12.661 1.692 3.717 1.00 71.31 N ATOM 831 NH2 ARG B 125 14.563 1.298 4.952 1.00 74.11 N ATOM 0 H ARG B 125 11.297 -3.556 6.170 1.00 20.41 H new ATOM 0 HA ARG B 125 10.555 -2.007 8.566 1.00 43.15 H new ATOM 0 HB2 ARG B 125 12.000 -1.178 6.656 1.00 2.31 H new ATOM 0 HB3 ARG B 125 10.613 -1.378 5.602 1.00 2.31 H new ATOM 0 HG2 ARG B 125 9.352 0.268 6.952 1.00 53.45 H new ATOM 0 HG3 ARG B 125 10.741 0.471 8.001 1.00 53.45 H new ATOM 0 HD2 ARG B 125 10.619 1.044 5.019 1.00 54.11 H new ATOM 0 HD3 ARG B 125 10.735 2.227 6.306 1.00 54.11 H new ATOM 0 HE ARG B 125 12.978 0.852 6.819 1.00 52.20 H new ATOM 0 HH11 ARG B 125 11.644 1.738 3.651 1.00 71.31 H new ATOM 0 HH12 ARG B 125 13.235 1.883 2.896 1.00 71.31 H new ATOM 0 HH21 ARG B 125 15.010 1.042 5.832 1.00 74.11 H new ATOM 0 HH22 ARG B 125 15.132 1.490 4.128 1.00 74.11 H new ATOM 845 N LEU B 126 8.070 -2.019 8.163 1.00 32.31 N ATOM 846 CA LEU B 126 6.675 -2.290 8.007 1.00 23.12 C ATOM 847 C LEU B 126 6.028 -1.137 7.267 1.00 51.54 C ATOM 848 O LEU B 126 6.106 0.014 7.694 1.00 60.12 O ATOM 849 CB LEU B 126 5.981 -2.422 9.365 1.00 42.24 C ATOM 850 CG LEU B 126 4.826 -3.442 9.462 1.00 22.42 C ATOM 851 CD1 LEU B 126 3.959 -3.485 8.232 1.00 42.51 C ATOM 852 CD2 LEU B 126 5.324 -4.808 9.845 1.00 32.25 C ATOM 0 H LEU B 126 8.322 -1.464 8.981 1.00 32.31 H new ATOM 0 HA LEU B 126 6.572 -3.226 7.457 1.00 23.12 H new ATOM 0 HB2 LEU B 126 6.734 -2.690 10.106 1.00 42.24 H new ATOM 0 HB3 LEU B 126 5.593 -1.442 9.645 1.00 42.24 H new ATOM 0 HG LEU B 126 4.180 -3.087 10.265 1.00 22.42 H new ATOM 0 HD11 LEU B 126 3.168 -4.223 8.370 1.00 42.51 H new ATOM 0 HD12 LEU B 126 3.515 -2.504 8.066 1.00 42.51 H new ATOM 0 HD13 LEU B 126 4.565 -3.760 7.369 1.00 42.51 H new ATOM 0 HD21 LEU B 126 4.483 -5.499 9.903 1.00 32.25 H new ATOM 0 HD22 LEU B 126 6.032 -5.161 9.095 1.00 32.25 H new ATOM 0 HD23 LEU B 126 5.819 -4.756 10.815 1.00 32.25 H new ATOM 864 N TYR B 127 5.429 -1.447 6.174 1.00 44.33 N ATOM 865 CA TYR B 127 4.671 -0.516 5.425 1.00 63.31 C ATOM 866 C TYR B 127 3.191 -0.758 5.640 1.00 71.11 C ATOM 867 O TYR B 127 2.647 -1.772 5.242 1.00 74.33 O ATOM 868 CB TYR B 127 5.065 -0.551 3.941 1.00 74.42 C ATOM 869 CG TYR B 127 6.380 0.136 3.661 1.00 63.23 C ATOM 870 CD1 TYR B 127 6.420 1.511 3.480 1.00 61.33 C ATOM 871 CD2 TYR B 127 7.577 -0.573 3.586 1.00 42.41 C ATOM 872 CE1 TYR B 127 7.602 2.169 3.237 1.00 5.22 C ATOM 873 CE2 TYR B 127 8.774 0.083 3.338 1.00 23.25 C ATOM 874 CZ TYR B 127 8.775 1.459 3.164 1.00 40.15 C ATOM 875 OH TYR B 127 9.964 2.134 2.936 1.00 21.13 O ATOM 0 H TYR B 127 5.454 -2.382 5.766 1.00 44.33 H new ATOM 0 HA TYR B 127 4.892 0.491 5.779 1.00 63.31 H new ATOM 0 HB2 TYR B 127 5.127 -1.588 3.612 1.00 74.42 H new ATOM 0 HB3 TYR B 127 4.281 -0.076 3.352 1.00 74.42 H new ATOM 0 HD1 TYR B 127 5.502 2.077 3.531 1.00 61.33 H new ATOM 0 HD2 TYR B 127 7.573 -1.644 3.722 1.00 42.41 H new ATOM 0 HE1 TYR B 127 7.608 3.241 3.104 1.00 5.22 H new ATOM 0 HE2 TYR B 127 9.698 -0.473 3.281 1.00 23.25 H new ATOM 0 HH TYR B 127 9.905 3.037 3.311 1.00 21.13 H new ATOM 885 N ARG B 128 2.575 0.150 6.331 1.00 33.23 N ATOM 886 CA ARG B 128 1.158 0.112 6.574 1.00 64.32 C ATOM 887 C ARG B 128 0.470 0.839 5.481 1.00 53.11 C ATOM 888 O ARG B 128 1.028 1.767 4.887 1.00 62.41 O ATOM 889 CB ARG B 128 0.808 0.795 7.886 1.00 13.54 C ATOM 890 CG ARG B 128 1.141 0.027 9.128 1.00 10.45 C ATOM 891 CD ARG B 128 1.041 0.925 10.339 1.00 33.43 C ATOM 892 NE ARG B 128 1.369 0.233 11.595 1.00 62.03 N ATOM 893 CZ ARG B 128 2.518 0.380 12.279 1.00 22.23 C ATOM 894 NH1 ARG B 128 3.557 0.979 11.716 1.00 75.33 N ATOM 895 NH2 ARG B 128 2.642 -0.118 13.502 1.00 50.42 N ATOM 0 H ARG B 128 3.045 0.952 6.750 1.00 33.23 H new ATOM 0 HA ARG B 128 0.844 -0.931 6.621 1.00 64.32 H new ATOM 0 HB2 ARG B 128 1.325 1.754 7.924 1.00 13.54 H new ATOM 0 HB3 ARG B 128 -0.261 1.009 7.889 1.00 13.54 H new ATOM 0 HG2 ARG B 128 0.461 -0.818 9.235 1.00 10.45 H new ATOM 0 HG3 ARG B 128 2.148 -0.383 9.052 1.00 10.45 H new ATOM 0 HD2 ARG B 128 1.713 1.774 10.212 1.00 33.43 H new ATOM 0 HD3 ARG B 128 0.030 1.326 10.405 1.00 33.43 H new ATOM 0 HE ARG B 128 0.672 -0.407 11.976 1.00 62.03 H new ATOM 0 HH11 ARG B 128 3.487 1.330 10.761 1.00 75.33 H new ATOM 0 HH12 ARG B 128 4.427 1.089 12.238 1.00 75.33 H new ATOM 0 HH21 ARG B 128 1.863 -0.617 13.931 1.00 50.42 H new ATOM 0 HH22 ARG B 128 3.517 -0.002 14.014 1.00 50.42 H new ATOM 909 N LEU B 129 -0.704 0.450 5.206 1.00 45.45 N ATOM 910 CA LEU B 129 -1.474 1.095 4.226 1.00 22.23 C ATOM 911 C LEU B 129 -2.629 1.788 4.893 1.00 44.25 C ATOM 912 O LEU B 129 -3.347 1.186 5.690 1.00 3.44 O ATOM 913 CB LEU B 129 -1.976 0.078 3.195 1.00 40.02 C ATOM 914 CG LEU B 129 -0.887 -0.771 2.523 1.00 64.32 C ATOM 915 CD1 LEU B 129 -1.476 -1.715 1.511 1.00 25.05 C ATOM 916 CD2 LEU B 129 0.149 0.094 1.870 1.00 63.51 C ATOM 0 H LEU B 129 -1.168 -0.337 5.660 1.00 45.45 H new ATOM 0 HA LEU B 129 -0.865 1.832 3.703 1.00 22.23 H new ATOM 0 HB2 LEU B 129 -2.684 -0.591 3.684 1.00 40.02 H new ATOM 0 HB3 LEU B 129 -2.526 0.613 2.420 1.00 40.02 H new ATOM 0 HG LEU B 129 -0.408 -1.358 3.307 1.00 64.32 H new ATOM 0 HD11 LEU B 129 -0.679 -2.301 1.053 1.00 25.05 H new ATOM 0 HD12 LEU B 129 -2.181 -2.384 2.005 1.00 25.05 H new ATOM 0 HD13 LEU B 129 -1.995 -1.145 0.741 1.00 25.05 H new ATOM 0 HD21 LEU B 129 0.907 -0.535 1.403 1.00 63.51 H new ATOM 0 HD22 LEU B 129 -0.323 0.717 1.111 1.00 63.51 H new ATOM 0 HD23 LEU B 129 0.618 0.730 2.621 1.00 63.51 H new ATOM 928 N CYS B 130 -2.747 3.049 4.645 1.00 10.44 N ATOM 929 CA CYS B 130 -3.892 3.810 5.055 1.00 73.20 C ATOM 930 C CYS B 130 -4.424 4.472 3.841 1.00 52.30 C ATOM 931 O CYS B 130 -3.650 5.030 3.046 1.00 73.21 O ATOM 932 CB CYS B 130 -3.591 4.787 6.217 1.00 11.15 C ATOM 933 SG CYS B 130 -2.191 5.876 6.030 1.00 74.45 S ATOM 0 H CYS B 130 -2.044 3.593 4.145 1.00 10.44 H new ATOM 0 HA CYS B 130 -4.651 3.154 5.480 1.00 73.20 H new ATOM 0 HB2 CYS B 130 -4.477 5.401 6.379 1.00 11.15 H new ATOM 0 HB3 CYS B 130 -3.442 4.198 7.122 1.00 11.15 H new ATOM 938 N CYS B 131 -5.698 4.381 3.632 1.00 15.41 N ATOM 939 CA CYS B 131 -6.216 4.817 2.388 1.00 24.23 C ATOM 940 C CYS B 131 -7.414 5.724 2.569 1.00 53.41 C ATOM 941 O CYS B 131 -8.148 5.634 3.568 1.00 55.01 O ATOM 942 CB CYS B 131 -6.588 3.590 1.557 1.00 15.10 C ATOM 943 SG CYS B 131 -6.805 3.918 -0.213 1.00 45.33 S ATOM 0 H CYS B 131 -6.382 4.016 4.295 1.00 15.41 H new ATOM 0 HA CYS B 131 -5.454 5.400 1.871 1.00 24.23 H new ATOM 0 HB2 CYS B 131 -5.812 2.834 1.681 1.00 15.10 H new ATOM 0 HB3 CYS B 131 -7.512 3.167 1.951 1.00 15.10 H new ATOM 948 N ARG B 132 -7.590 6.601 1.626 1.00 64.40 N ATOM 949 CA ARG B 132 -8.686 7.513 1.599 1.00 32.34 C ATOM 950 C ARG B 132 -9.536 7.223 0.363 1.00 25.42 C ATOM 951 O ARG B 132 -10.591 6.576 0.518 1.00 39.86 O ATOM 952 CB ARG B 132 -8.184 8.975 1.673 1.00 10.54 C ATOM 953 CG ARG B 132 -7.222 9.379 0.570 1.00 54.52 C ATOM 954 CD ARG B 132 -6.621 10.748 0.805 1.00 23.10 C ATOM 955 NE ARG B 132 -7.623 11.810 0.871 1.00 4.34 N ATOM 956 CZ ARG B 132 -7.364 13.069 1.241 1.00 10.14 C ATOM 957 NH1 ARG B 132 -6.140 13.414 1.639 1.00 74.22 N ATOM 958 NH2 ARG B 132 -8.328 13.967 1.233 1.00 63.42 N ATOM 959 OXT ARG B 132 -9.104 7.540 -0.771 1.00 39.86 O ATOM 0 H ARG B 132 -6.955 6.702 0.834 1.00 64.40 H new ATOM 0 HA ARG B 132 -9.320 7.377 2.475 1.00 32.34 H new ATOM 0 HB2 ARG B 132 -9.046 9.641 1.645 1.00 10.54 H new ATOM 0 HB3 ARG B 132 -7.695 9.127 2.635 1.00 10.54 H new ATOM 0 HG2 ARG B 132 -6.423 8.641 0.500 1.00 54.52 H new ATOM 0 HG3 ARG B 132 -7.746 9.374 -0.386 1.00 54.52 H new ATOM 0 HD2 ARG B 132 -6.053 10.734 1.735 1.00 23.10 H new ATOM 0 HD3 ARG B 132 -5.916 10.971 0.004 1.00 23.10 H new ATOM 0 HE ARG B 132 -8.583 11.576 0.618 1.00 4.34 H new ATOM 0 HH11 ARG B 132 -5.396 12.717 1.662 1.00 74.22 H new ATOM 0 HH12 ARG B 132 -5.947 14.375 1.920 1.00 74.22 H new ATOM 0 HH21 ARG B 132 -9.270 13.702 0.945 1.00 63.42 H new ATOM 0 HH22 ARG B 132 -8.133 14.928 1.515 1.00 63.42 H new TER 973 ARG B 132