USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 37 TYR OH : rot 24:sc= 2.22 USER MOD Set 1.2: B 46 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0) USER MOD Set 2.1: A 37 TYR OH : rot 28:sc= 2.32 USER MOD Set 2.2: A 46 LYS NZ :NH3+ -143:sc= 1.43 (180deg=-0.077) USER MOD Single : A 3 SER OG : rot -169:sc= -2.18! USER MOD Single : A 4 THR OG1 : rot 24:sc= -1.91! USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= 1.06 (180deg=0.319) USER MOD Single : A 25 THR OG1 : rot 56:sc= 1.09 USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 0.339 (180deg=0.195) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0837) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 80:sc= 0.758! USER MOD Single : B 4 THR OG1 : rot 44:sc= -1.34 USER MOD Single : B 9 LYS NZ :NH3+ -151:sc= 1.34 (180deg=0.527) USER MOD Single : B 25 THR OG1 : rot 60:sc= 0.879 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ -119:sc= 0.361 (180deg=0) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 2.317 10.143 7.610 1.00 0.32 N ATOM 43 CA SER A 3 0.948 9.874 7.221 1.00 0.24 C ATOM 44 C SER A 3 0.361 11.044 6.496 1.00 0.25 C ATOM 45 O SER A 3 0.667 12.204 6.783 1.00 0.41 O ATOM 46 CB SER A 3 0.101 9.591 8.447 1.00 0.29 C ATOM 47 OG SER A 3 -1.224 9.264 8.088 1.00 1.15 O ATOM 0 HA SER A 3 0.954 9.006 6.562 1.00 0.24 H new ATOM 0 HB2 SER A 3 0.540 8.770 9.014 1.00 0.29 H new ATOM 0 HB3 SER A 3 0.099 10.464 9.100 1.00 0.29 H new ATOM 0 HG SER A 3 -1.788 9.257 8.890 1.00 1.15 H new ATOM 53 N THR A 4 -0.492 10.732 5.565 1.00 0.20 N ATOM 54 CA THR A 4 -1.162 11.746 4.825 1.00 0.20 C ATOM 55 C THR A 4 -2.664 11.649 5.030 1.00 0.21 C ATOM 56 O THR A 4 -3.378 12.650 4.969 1.00 0.26 O ATOM 57 CB THR A 4 -0.814 11.633 3.341 1.00 0.19 C ATOM 58 OG1 THR A 4 -0.979 10.275 2.905 1.00 0.19 O ATOM 59 CG2 THR A 4 0.613 12.090 3.092 1.00 0.24 C ATOM 0 H THR A 4 -0.737 9.777 5.303 1.00 0.20 H new ATOM 0 HA THR A 4 -0.830 12.719 5.187 1.00 0.20 H new ATOM 0 HB THR A 4 -1.487 12.276 2.774 1.00 0.19 H new ATOM 0 HG1 THR A 4 -1.612 9.816 3.496 1.00 0.19 H new ATOM 0 HG21 THR A 4 0.843 12.003 2.030 1.00 0.24 H new ATOM 0 HG22 THR A 4 0.722 13.129 3.402 1.00 0.24 H new ATOM 0 HG23 THR A 4 1.300 11.467 3.665 1.00 0.24 H new ATOM 67 N GLY A 5 -3.134 10.438 5.323 1.00 0.19 N ATOM 68 CA GLY A 5 -4.561 10.197 5.368 1.00 0.22 C ATOM 69 C GLY A 5 -5.152 10.366 3.988 1.00 0.22 C ATOM 70 O GLY A 5 -6.191 11.002 3.803 1.00 0.36 O ATOM 0 H GLY A 5 -2.553 9.625 5.529 1.00 0.19 H new ATOM 0 HA2 GLY A 5 -4.758 9.190 5.737 1.00 0.22 H new ATOM 0 HA3 GLY A 5 -5.034 10.890 6.064 1.00 0.22 H new ATOM 74 N ILE A 6 -4.455 9.799 3.022 1.00 0.14 N ATOM 75 CA ILE A 6 -4.731 10.015 1.615 1.00 0.14 C ATOM 76 C ILE A 6 -5.181 8.713 0.967 1.00 0.12 C ATOM 77 O ILE A 6 -4.505 7.693 1.084 1.00 0.11 O ATOM 78 CB ILE A 6 -3.458 10.584 0.914 1.00 0.16 C ATOM 79 CG1 ILE A 6 -3.623 12.080 0.624 1.00 0.18 C ATOM 80 CG2 ILE A 6 -3.129 9.843 -0.375 1.00 0.17 C ATOM 81 CD1 ILE A 6 -3.797 12.936 1.857 1.00 0.19 C ATOM 0 H ILE A 6 -3.672 9.168 3.194 1.00 0.14 H new ATOM 0 HA ILE A 6 -5.537 10.741 1.507 1.00 0.14 H new ATOM 0 HB ILE A 6 -2.627 10.437 1.603 1.00 0.16 H new ATOM 0 HG12 ILE A 6 -2.750 12.430 0.073 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.487 12.219 -0.026 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -2.236 10.276 -0.825 1.00 0.17 H new ATOM 0 HG22 ILE A 6 -2.951 8.791 -0.154 1.00 0.17 H new ATOM 0 HG23 ILE A 6 -3.965 9.932 -1.069 1.00 0.17 H new ATOM 0 HD11 ILE A 6 -3.907 13.980 1.563 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -4.687 12.616 2.399 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -2.923 12.830 2.500 1.00 0.19 H new ATOM 93 N VAL A 7 -6.330 8.730 0.312 1.00 0.13 N ATOM 94 CA VAL A 7 -6.829 7.519 -0.315 1.00 0.12 C ATOM 95 C VAL A 7 -6.377 7.449 -1.769 1.00 0.13 C ATOM 96 O VAL A 7 -6.231 8.476 -2.438 1.00 0.16 O ATOM 97 CB VAL A 7 -8.372 7.384 -0.238 1.00 0.15 C ATOM 98 CG1 VAL A 7 -8.903 7.890 1.091 1.00 0.22 C ATOM 99 CG2 VAL A 7 -9.071 8.079 -1.399 1.00 0.21 C ATOM 0 H VAL A 7 -6.924 9.552 0.202 1.00 0.13 H new ATOM 0 HA VAL A 7 -6.407 6.686 0.247 1.00 0.12 H new ATOM 0 HB VAL A 7 -8.598 6.320 -0.315 1.00 0.15 H new ATOM 0 HG11 VAL A 7 -9.987 7.782 1.114 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -8.463 7.311 1.903 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -8.640 8.941 1.211 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.150 7.956 -1.300 1.00 0.21 H new ATOM 0 HG22 VAL A 7 -8.824 9.141 -1.389 1.00 0.21 H new ATOM 0 HG23 VAL A 7 -8.740 7.638 -2.339 1.00 0.21 H new ATOM 109 N ARG A 8 -6.127 6.241 -2.243 1.00 0.12 N ATOM 110 CA ARG A 8 -5.740 6.018 -3.629 1.00 0.14 C ATOM 111 C ARG A 8 -6.464 4.804 -4.179 1.00 0.15 C ATOM 112 O ARG A 8 -6.872 3.925 -3.422 1.00 0.13 O ATOM 113 CB ARG A 8 -4.226 5.816 -3.745 1.00 0.14 C ATOM 114 CG ARG A 8 -3.407 7.001 -3.264 1.00 0.20 C ATOM 115 CD ARG A 8 -3.539 8.178 -4.210 1.00 0.32 C ATOM 116 NE ARG A 8 -2.849 9.367 -3.702 1.00 0.48 N ATOM 117 CZ ARG A 8 -2.560 10.442 -4.437 1.00 0.65 C ATOM 118 NH1 ARG A 8 -2.852 10.469 -5.728 1.00 1.60 N ATOM 119 NH2 ARG A 8 -1.965 11.489 -3.873 1.00 0.67 N ATOM 0 H ARG A 8 -6.185 5.390 -1.683 1.00 0.12 H new ATOM 0 HA ARG A 8 -6.017 6.898 -4.209 1.00 0.14 H new ATOM 0 HB2 ARG A 8 -3.942 4.934 -3.171 1.00 0.14 H new ATOM 0 HB3 ARG A 8 -3.975 5.613 -4.786 1.00 0.14 H new ATOM 0 HG2 ARG A 8 -3.736 7.294 -2.267 1.00 0.20 H new ATOM 0 HG3 ARG A 8 -2.359 6.713 -3.182 1.00 0.20 H new ATOM 0 HD2 ARG A 8 -3.130 7.909 -5.184 1.00 0.32 H new ATOM 0 HD3 ARG A 8 -4.594 8.407 -4.360 1.00 0.32 H new ATOM 0 HE ARG A 8 -2.571 9.373 -2.721 1.00 0.48 H new ATOM 0 HH11 ARG A 8 -3.301 9.665 -6.166 1.00 1.60 H new ATOM 0 HH12 ARG A 8 -2.628 11.294 -6.284 1.00 1.60 H new ATOM 0 HH21 ARG A 8 -1.731 11.469 -2.880 1.00 0.67 H new ATOM 0 HH22 ARG A 8 -1.743 12.312 -4.433 1.00 0.67 H new ATOM 133 N LYS A 9 -6.631 4.767 -5.490 1.00 0.18 N ATOM 134 CA LYS A 9 -7.275 3.634 -6.148 1.00 0.19 C ATOM 135 C LYS A 9 -6.278 2.497 -6.317 1.00 0.18 C ATOM 136 O LYS A 9 -5.068 2.728 -6.386 1.00 0.21 O ATOM 137 CB LYS A 9 -7.808 4.041 -7.523 1.00 0.23 C ATOM 138 CG LYS A 9 -8.687 5.282 -7.516 1.00 0.34 C ATOM 139 CD LYS A 9 -10.170 4.949 -7.588 1.00 0.43 C ATOM 140 CE LYS A 9 -10.724 4.458 -6.261 1.00 0.37 C ATOM 141 NZ LYS A 9 -12.204 4.315 -6.309 1.00 1.09 N ATOM 0 H LYS A 9 -6.330 5.508 -6.124 1.00 0.18 H new ATOM 0 HA LYS A 9 -8.107 3.306 -5.526 1.00 0.19 H new ATOM 0 HB2 LYS A 9 -6.963 4.213 -8.190 1.00 0.23 H new ATOM 0 HB3 LYS A 9 -8.378 3.210 -7.939 1.00 0.23 H new ATOM 0 HG2 LYS A 9 -8.491 5.856 -6.611 1.00 0.34 H new ATOM 0 HG3 LYS A 9 -8.420 5.917 -8.361 1.00 0.34 H new ATOM 0 HD2 LYS A 9 -10.722 5.834 -7.903 1.00 0.43 H new ATOM 0 HD3 LYS A 9 -10.331 4.186 -8.349 1.00 0.43 H new ATOM 0 HE2 LYS A 9 -10.272 3.498 -6.009 1.00 0.37 H new ATOM 0 HE3 LYS A 9 -10.450 5.156 -5.470 1.00 0.37 H new ATOM 0 HZ1 LYS A 9 -12.604 4.532 -5.374 1.00 1.09 H new ATOM 0 HZ2 LYS A 9 -12.594 4.973 -7.014 1.00 1.09 H new ATOM 0 HZ3 LYS A 9 -12.450 3.340 -6.573 1.00 1.09 H new ATOM 155 N VAL A 10 -6.792 1.279 -6.395 1.00 0.17 N ATOM 156 CA VAL A 10 -5.941 0.102 -6.556 1.00 0.17 C ATOM 157 C VAL A 10 -5.744 -0.212 -8.050 1.00 0.22 C ATOM 158 O VAL A 10 -5.330 -1.313 -8.436 1.00 0.25 O ATOM 159 CB VAL A 10 -6.536 -1.116 -5.802 1.00 0.19 C ATOM 160 CG1 VAL A 10 -5.577 -2.298 -5.791 1.00 0.22 C ATOM 161 CG2 VAL A 10 -6.906 -0.729 -4.379 1.00 0.20 C ATOM 0 H VAL A 10 -7.791 1.076 -6.350 1.00 0.17 H new ATOM 0 HA VAL A 10 -4.965 0.316 -6.120 1.00 0.17 H new ATOM 0 HB VAL A 10 -7.435 -1.423 -6.336 1.00 0.19 H new ATOM 0 HG11 VAL A 10 -6.031 -3.130 -5.253 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.362 -2.602 -6.816 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -4.650 -2.010 -5.296 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -7.322 -1.594 -3.863 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -6.016 -0.386 -3.852 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -7.646 0.071 -4.400 1.00 0.20 H new ATOM 171 N ASP A 11 -6.050 0.780 -8.889 1.00 0.24 N ATOM 172 CA ASP A 11 -5.781 0.709 -10.317 1.00 0.35 C ATOM 173 C ASP A 11 -6.661 -0.367 -10.951 1.00 0.44 C ATOM 174 O ASP A 11 -7.862 -0.418 -10.697 1.00 0.77 O ATOM 175 CB ASP A 11 -4.281 0.439 -10.534 1.00 0.41 C ATOM 176 CG ASP A 11 -3.817 0.539 -11.973 1.00 0.49 C ATOM 177 OD1 ASP A 11 -3.700 1.667 -12.491 1.00 1.11 O ATOM 178 OD2 ASP A 11 -3.542 -0.524 -12.575 1.00 1.32 O ATOM 0 H ASP A 11 -6.490 1.651 -8.593 1.00 0.24 H new ATOM 0 HA ASP A 11 -6.024 1.655 -10.801 1.00 0.35 H new ATOM 0 HB2 ASP A 11 -3.709 1.146 -9.933 1.00 0.41 H new ATOM 0 HB3 ASP A 11 -4.048 -0.558 -10.161 1.00 0.41 H new ATOM 183 N GLU A 12 -6.075 -1.205 -11.772 1.00 0.34 N ATOM 184 CA GLU A 12 -6.790 -2.302 -12.400 1.00 0.38 C ATOM 185 C GLU A 12 -6.018 -3.596 -12.242 1.00 0.29 C ATOM 186 O GLU A 12 -6.593 -4.659 -12.052 1.00 0.35 O ATOM 187 CB GLU A 12 -7.028 -2.006 -13.878 1.00 0.58 C ATOM 188 CG GLU A 12 -5.985 -1.098 -14.501 1.00 0.72 C ATOM 189 CD GLU A 12 -6.389 -0.624 -15.879 1.00 1.25 C ATOM 190 OE1 GLU A 12 -6.117 -1.335 -16.867 1.00 1.53 O ATOM 191 OE2 GLU A 12 -7.007 0.461 -15.979 1.00 2.06 O ATOM 0 H GLU A 12 -5.089 -1.150 -12.027 1.00 0.34 H new ATOM 0 HA GLU A 12 -7.756 -2.411 -11.907 1.00 0.38 H new ATOM 0 HB2 GLU A 12 -7.050 -2.947 -14.427 1.00 0.58 H new ATOM 0 HB3 GLU A 12 -8.010 -1.547 -13.993 1.00 0.58 H new ATOM 0 HG2 GLU A 12 -5.824 -0.235 -13.855 1.00 0.72 H new ATOM 0 HG3 GLU A 12 -5.035 -1.629 -14.565 1.00 0.72 H new ATOM 198 N LEU A 13 -4.709 -3.504 -12.323 1.00 0.25 N ATOM 199 CA LEU A 13 -3.871 -4.684 -12.178 1.00 0.25 C ATOM 200 C LEU A 13 -3.536 -4.957 -10.713 1.00 0.26 C ATOM 201 O LEU A 13 -2.729 -5.836 -10.406 1.00 0.41 O ATOM 202 CB LEU A 13 -2.605 -4.550 -13.027 1.00 0.33 C ATOM 203 CG LEU A 13 -2.815 -4.749 -14.537 1.00 0.41 C ATOM 204 CD1 LEU A 13 -3.463 -6.099 -14.801 1.00 0.45 C ATOM 205 CD2 LEU A 13 -3.657 -3.628 -15.137 1.00 0.40 C ATOM 0 H LEU A 13 -4.201 -2.635 -12.487 1.00 0.25 H new ATOM 0 HA LEU A 13 -4.433 -5.544 -12.542 1.00 0.25 H new ATOM 0 HB2 LEU A 13 -2.177 -3.561 -12.862 1.00 0.33 H new ATOM 0 HB3 LEU A 13 -1.872 -5.277 -12.678 1.00 0.33 H new ATOM 0 HG LEU A 13 -1.838 -4.722 -15.019 1.00 0.41 H new ATOM 0 HD11 LEU A 13 -3.607 -6.230 -15.873 1.00 0.45 H new ATOM 0 HD12 LEU A 13 -2.819 -6.892 -14.422 1.00 0.45 H new ATOM 0 HD13 LEU A 13 -4.428 -6.144 -14.297 1.00 0.45 H new ATOM 0 HD21 LEU A 13 -3.785 -3.801 -16.206 1.00 0.40 H new ATOM 0 HD22 LEU A 13 -4.633 -3.607 -14.653 1.00 0.40 H new ATOM 0 HD23 LEU A 13 -3.155 -2.673 -14.982 1.00 0.40 H new ATOM 217 N GLY A 14 -4.145 -4.186 -9.819 1.00 0.19 N ATOM 218 CA GLY A 14 -4.076 -4.487 -8.397 1.00 0.18 C ATOM 219 C GLY A 14 -3.001 -3.708 -7.707 1.00 0.15 C ATOM 220 O GLY A 14 -2.570 -4.055 -6.624 1.00 0.18 O ATOM 0 H GLY A 14 -4.688 -3.355 -10.053 1.00 0.19 H new ATOM 0 HA2 GLY A 14 -5.037 -4.266 -7.933 1.00 0.18 H new ATOM 0 HA3 GLY A 14 -3.894 -5.553 -8.261 1.00 0.18 H new ATOM 224 N ARG A 15 -2.561 -2.658 -8.343 1.00 0.14 N ATOM 225 CA ARG A 15 -1.530 -1.824 -7.802 1.00 0.13 C ATOM 226 C ARG A 15 -2.097 -0.503 -7.297 1.00 0.14 C ATOM 227 O ARG A 15 -2.663 0.269 -8.059 1.00 0.17 O ATOM 228 CB ARG A 15 -0.492 -1.607 -8.884 1.00 0.13 C ATOM 229 CG ARG A 15 -1.093 -1.193 -10.212 1.00 0.23 C ATOM 230 CD ARG A 15 -0.318 -1.750 -11.384 1.00 0.37 C ATOM 231 NE ARG A 15 -0.964 -1.418 -12.651 1.00 0.86 N ATOM 232 CZ ARG A 15 -0.446 -1.671 -13.847 1.00 1.03 C ATOM 233 NH1 ARG A 15 0.762 -2.210 -13.956 1.00 1.33 N ATOM 234 NH2 ARG A 15 -1.132 -1.355 -14.937 1.00 1.58 N ATOM 0 H ARG A 15 -2.910 -2.358 -9.253 1.00 0.14 H new ATOM 0 HA ARG A 15 -1.069 -2.308 -6.941 1.00 0.13 H new ATOM 0 HB2 ARG A 15 0.211 -0.841 -8.556 1.00 0.13 H new ATOM 0 HB3 ARG A 15 0.078 -2.526 -9.021 1.00 0.13 H new ATOM 0 HG2 ARG A 15 -2.126 -1.536 -10.265 1.00 0.23 H new ATOM 0 HG3 ARG A 15 -1.115 -0.105 -10.276 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.696 -1.351 -11.375 1.00 0.37 H new ATOM 0 HD3 ARG A 15 -0.236 -2.833 -11.287 1.00 0.37 H new ATOM 0 HE ARG A 15 -1.875 -0.961 -12.615 1.00 0.86 H new ATOM 0 HH11 ARG A 15 1.299 -2.433 -13.118 1.00 1.33 H new ATOM 0 HH12 ARG A 15 1.154 -2.402 -14.878 1.00 1.33 H new ATOM 0 HH21 ARG A 15 -2.051 -0.921 -14.853 1.00 1.58 H new ATOM 0 HH22 ARG A 15 -0.741 -1.546 -15.859 1.00 1.58 H new ATOM 248 N VAL A 16 -1.922 -0.232 -6.014 1.00 0.14 N ATOM 249 CA VAL A 16 -2.421 1.008 -5.446 1.00 0.14 C ATOM 250 C VAL A 16 -1.406 2.097 -5.723 1.00 0.12 C ATOM 251 O VAL A 16 -0.220 1.933 -5.441 1.00 0.12 O ATOM 252 CB VAL A 16 -2.683 0.906 -3.916 1.00 0.15 C ATOM 253 CG1 VAL A 16 -1.398 0.864 -3.111 1.00 0.15 C ATOM 254 CG2 VAL A 16 -3.576 2.045 -3.448 1.00 0.17 C ATOM 0 H VAL A 16 -1.444 -0.846 -5.354 1.00 0.14 H new ATOM 0 HA VAL A 16 -3.380 1.235 -5.911 1.00 0.14 H new ATOM 0 HB VAL A 16 -3.198 -0.039 -3.742 1.00 0.15 H new ATOM 0 HG11 VAL A 16 -1.636 0.793 -2.050 1.00 0.15 H new ATOM 0 HG12 VAL A 16 -0.810 -0.003 -3.410 1.00 0.15 H new ATOM 0 HG13 VAL A 16 -0.824 1.772 -3.294 1.00 0.15 H new ATOM 0 HG21 VAL A 16 -3.747 1.956 -2.375 1.00 0.17 H new ATOM 0 HG22 VAL A 16 -3.091 2.998 -3.660 1.00 0.17 H new ATOM 0 HG23 VAL A 16 -4.530 1.999 -3.973 1.00 0.17 H new ATOM 264 N VAL A 17 -1.847 3.189 -6.312 1.00 0.12 N ATOM 265 CA VAL A 17 -0.917 4.237 -6.679 1.00 0.11 C ATOM 266 C VAL A 17 -0.507 4.996 -5.434 1.00 0.10 C ATOM 267 O VAL A 17 -1.114 6.000 -5.065 1.00 0.12 O ATOM 268 CB VAL A 17 -1.500 5.208 -7.728 1.00 0.14 C ATOM 269 CG1 VAL A 17 -0.429 6.165 -8.229 1.00 0.16 C ATOM 270 CG2 VAL A 17 -2.119 4.441 -8.888 1.00 0.19 C ATOM 0 H VAL A 17 -2.823 3.373 -6.543 1.00 0.12 H new ATOM 0 HA VAL A 17 -0.048 3.765 -7.138 1.00 0.11 H new ATOM 0 HB VAL A 17 -2.285 5.794 -7.249 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.861 6.840 -8.967 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -0.038 6.744 -7.392 1.00 0.16 H new ATOM 0 HG13 VAL A 17 0.381 5.597 -8.687 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -2.524 5.145 -9.615 1.00 0.19 H new ATOM 0 HG22 VAL A 17 -1.357 3.825 -9.365 1.00 0.19 H new ATOM 0 HG23 VAL A 17 -2.921 3.803 -8.516 1.00 0.19 H new ATOM 280 N ILE A 18 0.500 4.464 -4.759 1.00 0.10 N ATOM 281 CA ILE A 18 1.015 5.081 -3.568 1.00 0.10 C ATOM 282 C ILE A 18 1.732 6.367 -3.948 1.00 0.10 C ATOM 283 O ILE A 18 2.630 6.357 -4.790 1.00 0.11 O ATOM 284 CB ILE A 18 1.954 4.151 -2.762 1.00 0.12 C ATOM 285 CG1 ILE A 18 2.876 4.964 -1.847 1.00 0.15 C ATOM 286 CG2 ILE A 18 2.761 3.238 -3.669 1.00 0.14 C ATOM 287 CD1 ILE A 18 3.688 4.116 -0.898 1.00 0.20 C ATOM 0 H ILE A 18 0.973 3.601 -5.026 1.00 0.10 H new ATOM 0 HA ILE A 18 0.171 5.297 -2.913 1.00 0.10 H new ATOM 0 HB ILE A 18 1.324 3.516 -2.139 1.00 0.12 H new ATOM 0 HG12 ILE A 18 3.554 5.556 -2.462 1.00 0.15 H new ATOM 0 HG13 ILE A 18 2.274 5.666 -1.269 1.00 0.15 H new ATOM 0 HG21 ILE A 18 3.407 2.602 -3.064 1.00 0.14 H new ATOM 0 HG22 ILE A 18 2.084 2.616 -4.254 1.00 0.14 H new ATOM 0 HG23 ILE A 18 3.372 3.840 -4.341 1.00 0.14 H new ATOM 0 HD11 ILE A 18 4.317 4.759 -0.282 1.00 0.20 H new ATOM 0 HD12 ILE A 18 3.018 3.543 -0.257 1.00 0.20 H new ATOM 0 HD13 ILE A 18 4.317 3.432 -1.468 1.00 0.20 H new ATOM 299 N PRO A 19 1.332 7.494 -3.352 1.00 0.14 N ATOM 300 CA PRO A 19 1.845 8.803 -3.739 1.00 0.17 C ATOM 301 C PRO A 19 3.363 8.878 -3.708 1.00 0.18 C ATOM 302 O PRO A 19 4.015 8.282 -2.841 1.00 0.15 O ATOM 303 CB PRO A 19 1.256 9.745 -2.696 1.00 0.22 C ATOM 304 CG PRO A 19 0.031 9.047 -2.215 1.00 0.22 C ATOM 305 CD PRO A 19 0.352 7.581 -2.260 1.00 0.19 C ATOM 0 HA PRO A 19 1.570 9.046 -4.765 1.00 0.17 H new ATOM 0 HB2 PRO A 19 1.957 9.924 -1.881 1.00 0.22 H new ATOM 0 HB3 PRO A 19 1.016 10.716 -3.128 1.00 0.22 H new ATOM 0 HG2 PRO A 19 -0.226 9.360 -1.203 1.00 0.22 H new ATOM 0 HG3 PRO A 19 -0.826 9.279 -2.848 1.00 0.22 H new ATOM 0 HD2 PRO A 19 0.767 7.229 -1.316 1.00 0.19 H new ATOM 0 HD3 PRO A 19 -0.534 6.979 -2.463 1.00 0.19 H new ATOM 313 N ILE A 20 3.915 9.641 -4.641 1.00 0.24 N ATOM 314 CA ILE A 20 5.354 9.810 -4.749 1.00 0.27 C ATOM 315 C ILE A 20 5.907 10.369 -3.455 1.00 0.27 C ATOM 316 O ILE A 20 7.015 10.052 -3.047 1.00 0.26 O ATOM 317 CB ILE A 20 5.731 10.759 -5.909 1.00 0.39 C ATOM 318 CG1 ILE A 20 5.177 12.176 -5.672 1.00 0.47 C ATOM 319 CG2 ILE A 20 5.225 10.191 -7.222 1.00 0.44 C ATOM 320 CD1 ILE A 20 6.187 13.145 -5.086 1.00 0.51 C ATOM 0 H ILE A 20 3.380 10.157 -5.340 1.00 0.24 H new ATOM 0 HA ILE A 20 5.785 8.829 -4.951 1.00 0.27 H new ATOM 0 HB ILE A 20 6.817 10.838 -5.954 1.00 0.39 H new ATOM 0 HG12 ILE A 20 4.813 12.575 -6.619 1.00 0.47 H new ATOM 0 HG13 ILE A 20 4.320 12.112 -5.002 1.00 0.47 H new ATOM 0 HG21 ILE A 20 5.493 10.864 -8.037 1.00 0.44 H new ATOM 0 HG22 ILE A 20 5.677 9.214 -7.394 1.00 0.44 H new ATOM 0 HG23 ILE A 20 4.141 10.087 -7.180 1.00 0.44 H new ATOM 0 HD11 ILE A 20 5.719 14.120 -4.949 1.00 0.51 H new ATOM 0 HD12 ILE A 20 6.534 12.771 -4.123 1.00 0.51 H new ATOM 0 HD13 ILE A 20 7.035 13.241 -5.764 1.00 0.51 H new ATOM 332 N GLU A 21 5.086 11.177 -2.807 1.00 0.31 N ATOM 333 CA GLU A 21 5.469 11.887 -1.606 1.00 0.35 C ATOM 334 C GLU A 21 5.619 10.931 -0.442 1.00 0.31 C ATOM 335 O GLU A 21 6.493 11.096 0.415 1.00 0.32 O ATOM 336 CB GLU A 21 4.433 12.969 -1.297 1.00 0.42 C ATOM 337 CG GLU A 21 3.053 12.673 -1.881 1.00 0.62 C ATOM 338 CD GLU A 21 2.061 13.795 -1.641 1.00 0.61 C ATOM 339 OE1 GLU A 21 1.967 14.284 -0.497 1.00 1.33 O ATOM 340 OE2 GLU A 21 1.379 14.206 -2.605 1.00 1.17 O ATOM 0 H GLU A 21 4.127 11.358 -3.105 1.00 0.31 H new ATOM 0 HA GLU A 21 6.436 12.363 -1.768 1.00 0.35 H new ATOM 0 HB2 GLU A 21 4.346 13.080 -0.216 1.00 0.42 H new ATOM 0 HB3 GLU A 21 4.787 13.923 -1.687 1.00 0.42 H new ATOM 0 HG2 GLU A 21 3.147 12.500 -2.953 1.00 0.62 H new ATOM 0 HG3 GLU A 21 2.667 11.753 -1.442 1.00 0.62 H new ATOM 347 N LEU A 22 4.795 9.907 -0.423 1.00 0.28 N ATOM 348 CA LEU A 22 4.891 8.917 0.619 1.00 0.27 C ATOM 349 C LEU A 22 6.095 8.029 0.398 1.00 0.24 C ATOM 350 O LEU A 22 6.866 7.794 1.321 1.00 0.26 O ATOM 351 CB LEU A 22 3.615 8.102 0.723 1.00 0.27 C ATOM 352 CG LEU A 22 2.516 8.799 1.513 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.747 9.772 0.643 1.00 0.34 C ATOM 354 CD2 LEU A 22 1.590 7.781 2.146 1.00 0.32 C ATOM 0 H LEU A 22 4.060 9.741 -1.110 1.00 0.28 H new ATOM 0 HA LEU A 22 5.023 9.435 1.569 1.00 0.27 H new ATOM 0 HB2 LEU A 22 3.249 7.884 -0.280 1.00 0.27 H new ATOM 0 HB3 LEU A 22 3.841 7.146 1.195 1.00 0.27 H new ATOM 0 HG LEU A 22 2.985 9.375 2.311 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.969 10.254 1.236 1.00 0.34 H new ATOM 0 HD12 LEU A 22 2.428 10.529 0.254 1.00 0.34 H new ATOM 0 HD13 LEU A 22 1.290 9.234 -0.188 1.00 0.34 H new ATOM 0 HD21 LEU A 22 0.811 8.297 2.707 1.00 0.32 H new ATOM 0 HD22 LEU A 22 1.133 7.171 1.367 1.00 0.32 H new ATOM 0 HD23 LEU A 22 2.159 7.141 2.821 1.00 0.32 H new ATOM 366 N ARG A 23 6.305 7.585 -0.835 1.00 0.20 N ATOM 367 CA ARG A 23 7.486 6.790 -1.141 1.00 0.19 C ATOM 368 C ARG A 23 8.724 7.675 -1.071 1.00 0.19 C ATOM 369 O ARG A 23 9.849 7.199 -1.039 1.00 0.20 O ATOM 370 CB ARG A 23 7.347 6.065 -2.497 1.00 0.21 C ATOM 371 CG ARG A 23 7.255 6.951 -3.740 1.00 0.28 C ATOM 372 CD ARG A 23 8.628 7.403 -4.219 1.00 0.31 C ATOM 373 NE ARG A 23 8.695 7.547 -5.675 1.00 0.70 N ATOM 374 CZ ARG A 23 9.434 8.466 -6.298 1.00 0.89 C ATOM 375 NH1 ARG A 23 10.100 9.374 -5.598 1.00 0.91 N ATOM 376 NH2 ARG A 23 9.508 8.479 -7.620 1.00 1.38 N ATOM 0 H ARG A 23 5.685 7.758 -1.626 1.00 0.20 H new ATOM 0 HA ARG A 23 7.592 6.002 -0.395 1.00 0.19 H new ATOM 0 HB2 ARG A 23 8.201 5.398 -2.616 1.00 0.21 H new ATOM 0 HB3 ARG A 23 6.456 5.438 -2.459 1.00 0.21 H new ATOM 0 HG2 ARG A 23 6.754 6.405 -4.539 1.00 0.28 H new ATOM 0 HG3 ARG A 23 6.642 7.825 -3.518 1.00 0.28 H new ATOM 0 HD2 ARG A 23 8.877 8.355 -3.751 1.00 0.31 H new ATOM 0 HD3 ARG A 23 9.378 6.682 -3.894 1.00 0.31 H new ATOM 0 HE ARG A 23 8.144 6.907 -6.246 1.00 0.70 H new ATOM 0 HH11 ARG A 23 10.048 9.371 -4.579 1.00 0.91 H new ATOM 0 HH12 ARG A 23 10.664 10.075 -6.078 1.00 0.91 H new ATOM 0 HH21 ARG A 23 8.999 7.784 -8.166 1.00 1.38 H new ATOM 0 HH22 ARG A 23 10.074 9.184 -8.092 1.00 1.38 H new ATOM 390 N ARG A 24 8.479 8.969 -1.026 1.00 0.22 N ATOM 391 CA ARG A 24 9.507 9.965 -0.784 1.00 0.25 C ATOM 392 C ARG A 24 9.751 10.087 0.712 1.00 0.26 C ATOM 393 O ARG A 24 10.844 10.432 1.156 1.00 0.30 O ATOM 394 CB ARG A 24 9.025 11.285 -1.348 1.00 0.32 C ATOM 395 CG ARG A 24 9.971 12.434 -1.150 1.00 0.35 C ATOM 396 CD ARG A 24 9.227 13.651 -0.632 1.00 0.69 C ATOM 397 NE ARG A 24 10.125 14.750 -0.302 1.00 0.77 N ATOM 398 CZ ARG A 24 9.777 16.035 -0.338 1.00 1.12 C ATOM 399 NH1 ARG A 24 8.563 16.389 -0.751 1.00 1.94 N ATOM 400 NH2 ARG A 24 10.639 16.968 0.042 1.00 1.19 N ATOM 0 H ARG A 24 7.548 9.365 -1.158 1.00 0.22 H new ATOM 0 HA ARG A 24 10.442 9.678 -1.264 1.00 0.25 H new ATOM 0 HB2 ARG A 24 8.841 11.163 -2.415 1.00 0.32 H new ATOM 0 HB3 ARG A 24 8.070 11.535 -0.886 1.00 0.32 H new ATOM 0 HG2 ARG A 24 10.753 12.152 -0.446 1.00 0.35 H new ATOM 0 HG3 ARG A 24 10.463 12.675 -2.093 1.00 0.35 H new ATOM 0 HD2 ARG A 24 8.511 13.983 -1.384 1.00 0.69 H new ATOM 0 HD3 ARG A 24 8.655 13.374 0.253 1.00 0.69 H new ATOM 0 HE ARG A 24 11.080 14.521 -0.026 1.00 0.77 H new ATOM 0 HH11 ARG A 24 7.895 15.675 -1.042 1.00 1.94 H new ATOM 0 HH12 ARG A 24 8.300 17.374 -0.777 1.00 1.94 H new ATOM 0 HH21 ARG A 24 11.570 16.702 0.362 1.00 1.19 H new ATOM 0 HH22 ARG A 24 10.371 17.952 0.014 1.00 1.19 H new ATOM 414 N THR A 25 8.719 9.774 1.483 1.00 0.28 N ATOM 415 CA THR A 25 8.814 9.790 2.926 1.00 0.34 C ATOM 416 C THR A 25 9.703 8.653 3.392 1.00 0.32 C ATOM 417 O THR A 25 10.556 8.830 4.262 1.00 0.36 O ATOM 418 CB THR A 25 7.426 9.674 3.585 1.00 0.39 C ATOM 419 OG1 THR A 25 6.604 10.781 3.186 1.00 0.43 O ATOM 420 CG2 THR A 25 7.539 9.645 5.100 1.00 0.48 C ATOM 0 H THR A 25 7.803 9.505 1.125 1.00 0.28 H new ATOM 0 HA THR A 25 9.248 10.744 3.226 1.00 0.34 H new ATOM 0 HB THR A 25 6.971 8.740 3.256 1.00 0.39 H new ATOM 0 HG1 THR A 25 6.561 10.820 2.208 1.00 0.43 H new ATOM 0 HG21 THR A 25 6.544 9.563 5.538 1.00 0.48 H new ATOM 0 HG22 THR A 25 8.141 8.788 5.404 1.00 0.48 H new ATOM 0 HG23 THR A 25 8.013 10.563 5.447 1.00 0.48 H new ATOM 428 N LEU A 26 9.516 7.489 2.785 1.00 0.29 N ATOM 429 CA LEU A 26 10.353 6.342 3.102 1.00 0.32 C ATOM 430 C LEU A 26 11.666 6.454 2.339 1.00 0.30 C ATOM 431 O LEU A 26 12.659 5.809 2.678 1.00 0.38 O ATOM 432 CB LEU A 26 9.671 5.015 2.752 1.00 0.38 C ATOM 433 CG LEU A 26 8.226 4.817 3.241 1.00 0.47 C ATOM 434 CD1 LEU A 26 7.904 5.664 4.466 1.00 0.58 C ATOM 435 CD2 LEU A 26 7.247 5.086 2.117 1.00 0.56 C ATOM 0 H LEU A 26 8.801 7.315 2.079 1.00 0.29 H new ATOM 0 HA LEU A 26 10.532 6.347 4.177 1.00 0.32 H new ATOM 0 HB2 LEU A 26 9.678 4.907 1.667 1.00 0.38 H new ATOM 0 HB3 LEU A 26 10.279 4.206 3.157 1.00 0.38 H new ATOM 0 HG LEU A 26 8.127 3.776 3.550 1.00 0.47 H new ATOM 0 HD11 LEU A 26 6.872 5.487 4.770 1.00 0.58 H new ATOM 0 HD12 LEU A 26 8.574 5.393 5.282 1.00 0.58 H new ATOM 0 HD13 LEU A 26 8.035 6.719 4.224 1.00 0.58 H new ATOM 0 HD21 LEU A 26 6.229 4.942 2.479 1.00 0.56 H new ATOM 0 HD22 LEU A 26 7.366 6.112 1.768 1.00 0.56 H new ATOM 0 HD23 LEU A 26 7.440 4.398 1.294 1.00 0.56 H new ATOM 447 N GLY A 27 11.650 7.283 1.300 1.00 0.24 N ATOM 448 CA GLY A 27 12.823 7.491 0.474 1.00 0.26 C ATOM 449 C GLY A 27 13.042 6.355 -0.507 1.00 0.30 C ATOM 450 O GLY A 27 14.116 6.222 -1.095 1.00 0.42 O ATOM 0 H GLY A 27 10.832 7.821 1.013 1.00 0.24 H new ATOM 0 HA2 GLY A 27 12.718 8.427 -0.074 1.00 0.26 H new ATOM 0 HA3 GLY A 27 13.701 7.592 1.112 1.00 0.26 H new ATOM 454 N ILE A 28 12.013 5.536 -0.678 1.00 0.28 N ATOM 455 CA ILE A 28 12.021 4.470 -1.668 1.00 0.32 C ATOM 456 C ILE A 28 11.632 5.034 -3.033 1.00 0.26 C ATOM 457 O ILE A 28 11.812 6.223 -3.300 1.00 0.29 O ATOM 458 CB ILE A 28 11.042 3.344 -1.282 1.00 0.38 C ATOM 459 CG1 ILE A 28 9.613 3.872 -1.249 1.00 0.41 C ATOM 460 CG2 ILE A 28 11.429 2.740 0.060 1.00 0.70 C ATOM 461 CD1 ILE A 28 8.582 2.783 -1.137 1.00 0.49 C ATOM 0 H ILE A 28 11.151 5.592 -0.135 1.00 0.28 H new ATOM 0 HA ILE A 28 13.027 4.053 -1.710 1.00 0.32 H new ATOM 0 HB ILE A 28 11.098 2.559 -2.036 1.00 0.38 H new ATOM 0 HG12 ILE A 28 9.504 4.555 -0.406 1.00 0.41 H new ATOM 0 HG13 ILE A 28 9.425 4.450 -2.154 1.00 0.41 H new ATOM 0 HG21 ILE A 28 10.728 1.946 0.318 1.00 0.70 H new ATOM 0 HG22 ILE A 28 12.436 2.328 -0.003 1.00 0.70 H new ATOM 0 HG23 ILE A 28 11.401 3.513 0.828 1.00 0.70 H new ATOM 0 HD11 ILE A 28 7.586 3.225 -1.118 1.00 0.49 H new ATOM 0 HD12 ILE A 28 8.666 2.113 -1.993 1.00 0.49 H new ATOM 0 HD13 ILE A 28 8.746 2.220 -0.218 1.00 0.49 H new ATOM 473 N ALA A 29 11.082 4.187 -3.883 1.00 0.23 N ATOM 474 CA ALA A 29 10.694 4.587 -5.220 1.00 0.25 C ATOM 475 C ALA A 29 9.730 3.582 -5.801 1.00 0.25 C ATOM 476 O ALA A 29 9.242 2.705 -5.094 1.00 0.28 O ATOM 477 CB ALA A 29 11.913 4.727 -6.116 1.00 0.31 C ATOM 0 H ALA A 29 10.893 3.208 -3.667 1.00 0.23 H new ATOM 0 HA ALA A 29 10.201 5.558 -5.161 1.00 0.25 H new ATOM 0 HB1 ALA A 29 11.598 5.028 -7.115 1.00 0.31 H new ATOM 0 HB2 ALA A 29 12.583 5.482 -5.704 1.00 0.31 H new ATOM 0 HB3 ALA A 29 12.435 3.772 -6.173 1.00 0.31 H new ATOM 483 N GLU A 30 9.479 3.698 -7.089 1.00 0.24 N ATOM 484 CA GLU A 30 8.542 2.832 -7.764 1.00 0.26 C ATOM 485 C GLU A 30 9.224 1.530 -8.139 1.00 0.24 C ATOM 486 O GLU A 30 8.614 0.467 -8.159 1.00 0.26 O ATOM 487 CB GLU A 30 7.975 3.542 -8.994 1.00 0.35 C ATOM 488 CG GLU A 30 9.041 4.196 -9.864 1.00 0.44 C ATOM 489 CD GLU A 30 9.536 5.518 -9.308 1.00 1.17 C ATOM 490 OE1 GLU A 30 8.734 6.467 -9.197 1.00 1.68 O ATOM 491 OE2 GLU A 30 10.729 5.596 -8.948 1.00 2.00 O ATOM 0 H GLU A 30 9.918 4.393 -7.693 1.00 0.24 H new ATOM 0 HA GLU A 30 7.712 2.597 -7.098 1.00 0.26 H new ATOM 0 HB2 GLU A 30 7.418 2.822 -9.595 1.00 0.35 H new ATOM 0 HB3 GLU A 30 7.265 4.303 -8.669 1.00 0.35 H new ATOM 0 HG2 GLU A 30 9.885 3.514 -9.968 1.00 0.44 H new ATOM 0 HG3 GLU A 30 8.637 4.358 -10.863 1.00 0.44 H new ATOM 498 N LYS A 31 10.512 1.617 -8.398 1.00 0.25 N ATOM 499 CA LYS A 31 11.305 0.440 -8.679 1.00 0.25 C ATOM 500 C LYS A 31 11.611 -0.300 -7.385 1.00 0.23 C ATOM 501 O LYS A 31 12.160 -1.399 -7.399 1.00 0.28 O ATOM 502 CB LYS A 31 12.595 0.829 -9.387 1.00 0.30 C ATOM 503 CG LYS A 31 12.382 1.690 -10.624 1.00 0.41 C ATOM 504 CD LYS A 31 11.778 0.899 -11.776 1.00 0.50 C ATOM 505 CE LYS A 31 10.263 0.845 -11.683 1.00 0.44 C ATOM 506 NZ LYS A 31 9.659 -0.025 -12.729 1.00 0.67 N ATOM 0 H LYS A 31 11.033 2.494 -8.420 1.00 0.25 H new ATOM 0 HA LYS A 31 10.738 -0.220 -9.335 1.00 0.25 H new ATOM 0 HB2 LYS A 31 13.234 1.367 -8.687 1.00 0.30 H new ATOM 0 HB3 LYS A 31 13.128 -0.077 -9.674 1.00 0.30 H new ATOM 0 HG2 LYS A 31 11.727 2.525 -10.375 1.00 0.41 H new ATOM 0 HG3 LYS A 31 13.335 2.115 -10.938 1.00 0.41 H new ATOM 0 HD2 LYS A 31 12.069 1.354 -12.723 1.00 0.50 H new ATOM 0 HD3 LYS A 31 12.180 -0.114 -11.773 1.00 0.50 H new ATOM 0 HE2 LYS A 31 9.975 0.477 -10.698 1.00 0.44 H new ATOM 0 HE3 LYS A 31 9.860 1.853 -11.777 1.00 0.44 H new ATOM 0 HZ1 LYS A 31 8.676 0.268 -12.899 1.00 0.67 H new ATOM 0 HZ2 LYS A 31 10.203 0.063 -13.611 1.00 0.67 H new ATOM 0 HZ3 LYS A 31 9.676 -1.015 -12.410 1.00 0.67 H new ATOM 520 N ASP A 32 11.231 0.306 -6.266 1.00 0.20 N ATOM 521 CA ASP A 32 11.475 -0.281 -4.964 1.00 0.19 C ATOM 522 C ASP A 32 10.385 -1.264 -4.605 1.00 0.18 C ATOM 523 O ASP A 32 9.319 -1.288 -5.222 1.00 0.25 O ATOM 524 CB ASP A 32 11.608 0.797 -3.883 1.00 0.20 C ATOM 525 CG ASP A 32 13.006 1.382 -3.817 1.00 0.64 C ATOM 526 OD1 ASP A 32 13.480 1.922 -4.838 1.00 1.65 O ATOM 527 OD2 ASP A 32 13.643 1.297 -2.746 1.00 1.00 O ATOM 0 H ASP A 32 10.752 1.206 -6.240 1.00 0.20 H new ATOM 0 HA ASP A 32 12.421 -0.820 -5.016 1.00 0.19 H new ATOM 0 HB2 ASP A 32 10.892 1.595 -4.080 1.00 0.20 H new ATOM 0 HB3 ASP A 32 11.350 0.370 -2.914 1.00 0.20 H new ATOM 532 N ALA A 33 10.675 -2.105 -3.633 1.00 0.16 N ATOM 533 CA ALA A 33 9.708 -3.060 -3.142 1.00 0.15 C ATOM 534 C ALA A 33 9.228 -2.634 -1.769 1.00 0.17 C ATOM 535 O ALA A 33 9.907 -1.890 -1.058 1.00 0.26 O ATOM 536 CB ALA A 33 10.307 -4.460 -3.086 1.00 0.18 C ATOM 0 H ALA A 33 11.581 -2.144 -3.166 1.00 0.16 H new ATOM 0 HA ALA A 33 8.861 -3.086 -3.827 1.00 0.15 H new ATOM 0 HB1 ALA A 33 9.560 -5.161 -2.713 1.00 0.18 H new ATOM 0 HB2 ALA A 33 10.621 -4.762 -4.085 1.00 0.18 H new ATOM 0 HB3 ALA A 33 11.169 -4.460 -2.419 1.00 0.18 H new ATOM 542 N LEU A 34 8.068 -3.104 -1.400 1.00 0.14 N ATOM 543 CA LEU A 34 7.495 -2.800 -0.117 1.00 0.14 C ATOM 544 C LEU A 34 7.065 -4.087 0.531 1.00 0.13 C ATOM 545 O LEU A 34 6.388 -4.895 -0.090 1.00 0.13 O ATOM 546 CB LEU A 34 6.301 -1.869 -0.281 1.00 0.15 C ATOM 547 CG LEU A 34 6.657 -0.427 -0.637 1.00 0.15 C ATOM 548 CD1 LEU A 34 5.434 0.309 -1.158 1.00 0.22 C ATOM 549 CD2 LEU A 34 7.207 0.281 0.587 1.00 0.27 C ATOM 0 H LEU A 34 7.491 -3.711 -1.983 1.00 0.14 H new ATOM 0 HA LEU A 34 8.233 -2.299 0.509 1.00 0.14 H new ATOM 0 HB2 LEU A 34 5.650 -2.270 -1.058 1.00 0.15 H new ATOM 0 HB3 LEU A 34 5.728 -1.869 0.646 1.00 0.15 H new ATOM 0 HG LEU A 34 7.416 -0.435 -1.420 1.00 0.15 H new ATOM 0 HD11 LEU A 34 5.705 1.335 -1.407 1.00 0.22 H new ATOM 0 HD12 LEU A 34 5.059 -0.194 -2.050 1.00 0.22 H new ATOM 0 HD13 LEU A 34 4.659 0.314 -0.392 1.00 0.22 H new ATOM 0 HD21 LEU A 34 7.460 1.309 0.329 1.00 0.27 H new ATOM 0 HD22 LEU A 34 6.456 0.279 1.377 1.00 0.27 H new ATOM 0 HD23 LEU A 34 8.101 -0.236 0.935 1.00 0.27 H new ATOM 561 N GLU A 35 7.457 -4.270 1.763 1.00 0.15 N ATOM 562 CA GLU A 35 7.180 -5.476 2.482 1.00 0.15 C ATOM 563 C GLU A 35 5.841 -5.325 3.176 1.00 0.13 C ATOM 564 O GLU A 35 5.734 -4.711 4.241 1.00 0.14 O ATOM 565 CB GLU A 35 8.308 -5.729 3.472 1.00 0.21 C ATOM 566 CG GLU A 35 8.429 -7.172 3.887 1.00 0.27 C ATOM 567 CD GLU A 35 9.690 -7.428 4.686 1.00 0.42 C ATOM 568 OE1 GLU A 35 10.794 -7.217 4.144 1.00 1.06 O ATOM 569 OE2 GLU A 35 9.582 -7.824 5.864 1.00 1.11 O ATOM 0 H GLU A 35 7.982 -3.578 2.297 1.00 0.15 H new ATOM 0 HA GLU A 35 7.123 -6.334 1.812 1.00 0.15 H new ATOM 0 HB2 GLU A 35 9.250 -5.406 3.028 1.00 0.21 H new ATOM 0 HB3 GLU A 35 8.147 -5.116 4.359 1.00 0.21 H new ATOM 0 HG2 GLU A 35 7.560 -7.452 4.482 1.00 0.27 H new ATOM 0 HG3 GLU A 35 8.427 -7.806 3.000 1.00 0.27 H new ATOM 576 N ILE A 36 4.817 -5.833 2.525 1.00 0.11 N ATOM 577 CA ILE A 36 3.452 -5.611 2.959 1.00 0.10 C ATOM 578 C ILE A 36 2.958 -6.675 3.942 1.00 0.10 C ATOM 579 O ILE A 36 3.174 -7.878 3.767 1.00 0.11 O ATOM 580 CB ILE A 36 2.513 -5.562 1.750 1.00 0.10 C ATOM 581 CG1 ILE A 36 2.938 -4.453 0.787 1.00 0.12 C ATOM 582 CG2 ILE A 36 1.075 -5.372 2.197 1.00 0.11 C ATOM 583 CD1 ILE A 36 3.401 -4.980 -0.549 1.00 0.11 C ATOM 0 H ILE A 36 4.904 -6.407 1.686 1.00 0.11 H new ATOM 0 HA ILE A 36 3.445 -4.655 3.482 1.00 0.10 H new ATOM 0 HB ILE A 36 2.579 -6.513 1.222 1.00 0.10 H new ATOM 0 HG12 ILE A 36 2.101 -3.772 0.633 1.00 0.12 H new ATOM 0 HG13 ILE A 36 3.741 -3.873 1.241 1.00 0.12 H new ATOM 0 HG21 ILE A 36 0.424 -5.340 1.324 1.00 0.11 H new ATOM 0 HG22 ILE A 36 0.781 -6.203 2.839 1.00 0.11 H new ATOM 0 HG23 ILE A 36 0.986 -4.437 2.750 1.00 0.11 H new ATOM 0 HD11 ILE A 36 3.689 -4.146 -1.189 1.00 0.11 H new ATOM 0 HD12 ILE A 36 4.257 -5.639 -0.403 1.00 0.11 H new ATOM 0 HD13 ILE A 36 2.591 -5.536 -1.021 1.00 0.11 H new ATOM 595 N TYR A 37 2.272 -6.192 4.964 1.00 0.11 N ATOM 596 CA TYR A 37 1.643 -7.015 5.989 1.00 0.14 C ATOM 597 C TYR A 37 0.204 -6.540 6.154 1.00 0.14 C ATOM 598 O TYR A 37 -0.235 -5.645 5.439 1.00 0.13 O ATOM 599 CB TYR A 37 2.340 -6.876 7.348 1.00 0.20 C ATOM 600 CG TYR A 37 3.849 -6.824 7.332 1.00 0.40 C ATOM 601 CD1 TYR A 37 4.606 -7.985 7.308 1.00 1.18 C ATOM 602 CD2 TYR A 37 4.512 -5.606 7.398 1.00 1.39 C ATOM 603 CE1 TYR A 37 5.985 -7.934 7.337 1.00 1.25 C ATOM 604 CE2 TYR A 37 5.889 -5.547 7.437 1.00 1.54 C ATOM 605 CZ TYR A 37 6.620 -6.712 7.408 1.00 0.87 C ATOM 606 OH TYR A 37 7.991 -6.655 7.464 1.00 1.11 O ATOM 0 H TYR A 37 2.132 -5.192 5.110 1.00 0.11 H new ATOM 0 HA TYR A 37 1.705 -8.057 5.675 1.00 0.14 H new ATOM 0 HB2 TYR A 37 1.973 -5.969 7.828 1.00 0.20 H new ATOM 0 HB3 TYR A 37 2.035 -7.714 7.975 1.00 0.20 H new ATOM 0 HD1 TYR A 37 4.110 -8.943 7.266 1.00 1.18 H new ATOM 0 HD2 TYR A 37 3.940 -4.690 7.419 1.00 1.39 H new ATOM 0 HE1 TYR A 37 6.563 -8.846 7.304 1.00 1.25 H new ATOM 0 HE2 TYR A 37 6.391 -4.592 7.490 1.00 1.54 H new ATOM 0 HH TYR A 37 8.370 -7.437 7.011 1.00 1.11 H new ATOM 616 N VAL A 38 -0.526 -7.146 7.080 1.00 0.16 N ATOM 617 CA VAL A 38 -1.876 -6.710 7.432 1.00 0.17 C ATOM 618 C VAL A 38 -2.164 -6.958 8.913 1.00 0.20 C ATOM 619 O VAL A 38 -1.969 -8.057 9.429 1.00 0.26 O ATOM 620 CB VAL A 38 -2.958 -7.416 6.581 1.00 0.18 C ATOM 621 CG1 VAL A 38 -4.327 -7.317 7.250 1.00 0.21 C ATOM 622 CG2 VAL A 38 -3.023 -6.837 5.177 1.00 0.21 C ATOM 0 H VAL A 38 -0.201 -7.955 7.610 1.00 0.16 H new ATOM 0 HA VAL A 38 -1.918 -5.641 7.225 1.00 0.17 H new ATOM 0 HB VAL A 38 -2.678 -8.467 6.506 1.00 0.18 H new ATOM 0 HG11 VAL A 38 -5.071 -7.821 6.633 1.00 0.21 H new ATOM 0 HG12 VAL A 38 -4.288 -7.791 8.231 1.00 0.21 H new ATOM 0 HG13 VAL A 38 -4.601 -6.268 7.365 1.00 0.21 H new ATOM 0 HG21 VAL A 38 -3.793 -7.355 4.605 1.00 0.21 H new ATOM 0 HG22 VAL A 38 -3.264 -5.775 5.232 1.00 0.21 H new ATOM 0 HG23 VAL A 38 -2.058 -6.965 4.686 1.00 0.21 H new ATOM 632 N ASP A 39 -2.662 -5.936 9.579 1.00 0.20 N ATOM 633 CA ASP A 39 -2.963 -6.016 10.999 1.00 0.23 C ATOM 634 C ASP A 39 -4.456 -5.871 11.209 1.00 0.28 C ATOM 635 O ASP A 39 -5.045 -4.876 10.789 1.00 0.35 O ATOM 636 CB ASP A 39 -2.211 -4.939 11.784 1.00 0.37 C ATOM 637 CG ASP A 39 -2.499 -4.998 13.271 1.00 0.98 C ATOM 638 OD1 ASP A 39 -1.972 -5.908 13.944 1.00 1.74 O ATOM 639 OD2 ASP A 39 -3.250 -4.136 13.772 1.00 1.60 O ATOM 0 H ASP A 39 -2.869 -5.031 9.157 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.636 -6.988 11.369 1.00 0.23 H new ATOM 0 HB2 ASP A 39 -1.140 -5.055 11.620 1.00 0.37 H new ATOM 0 HB3 ASP A 39 -2.487 -3.956 11.402 1.00 0.37 H new ATOM 644 N ASP A 40 -5.051 -6.883 11.835 1.00 0.42 N ATOM 645 CA ASP A 40 -6.493 -6.939 12.086 1.00 0.57 C ATOM 646 C ASP A 40 -7.262 -7.095 10.783 1.00 0.48 C ATOM 647 O ASP A 40 -7.774 -8.170 10.465 1.00 0.58 O ATOM 648 CB ASP A 40 -6.992 -5.687 12.815 1.00 0.73 C ATOM 649 CG ASP A 40 -8.221 -5.955 13.653 1.00 1.26 C ATOM 650 OD1 ASP A 40 -8.073 -6.480 14.775 1.00 2.01 O ATOM 651 OD2 ASP A 40 -9.337 -5.625 13.204 1.00 1.73 O ATOM 0 H ASP A 40 -4.544 -7.695 12.186 1.00 0.42 H new ATOM 0 HA ASP A 40 -6.670 -7.806 12.722 1.00 0.57 H new ATOM 0 HB2 ASP A 40 -6.197 -5.302 13.454 1.00 0.73 H new ATOM 0 HB3 ASP A 40 -7.217 -4.911 12.084 1.00 0.73 H new ATOM 656 N GLU A 41 -7.321 -6.010 10.032 1.00 0.41 N ATOM 657 CA GLU A 41 -8.033 -5.969 8.773 1.00 0.45 C ATOM 658 C GLU A 41 -7.460 -4.879 7.878 1.00 0.37 C ATOM 659 O GLU A 41 -8.103 -4.456 6.919 1.00 0.44 O ATOM 660 CB GLU A 41 -9.515 -5.693 9.027 1.00 0.65 C ATOM 661 CG GLU A 41 -9.755 -4.449 9.864 1.00 0.76 C ATOM 662 CD GLU A 41 -11.226 -4.094 9.954 1.00 1.05 C ATOM 663 OE1 GLU A 41 -11.978 -4.808 10.654 1.00 1.40 O ATOM 664 OE2 GLU A 41 -11.642 -3.101 9.318 1.00 1.67 O ATOM 0 H GLU A 41 -6.873 -5.129 10.282 1.00 0.41 H new ATOM 0 HA GLU A 41 -7.921 -6.932 8.276 1.00 0.45 H new ATOM 0 HB2 GLU A 41 -10.027 -5.585 8.071 1.00 0.65 H new ATOM 0 HB3 GLU A 41 -9.957 -6.553 9.530 1.00 0.65 H new ATOM 0 HG2 GLU A 41 -9.359 -4.606 10.867 1.00 0.76 H new ATOM 0 HG3 GLU A 41 -9.207 -3.612 9.433 1.00 0.76 H new ATOM 671 N LYS A 42 -6.249 -4.422 8.184 1.00 0.27 N ATOM 672 CA LYS A 42 -5.680 -3.312 7.450 1.00 0.25 C ATOM 673 C LYS A 42 -4.249 -3.574 7.029 1.00 0.19 C ATOM 674 O LYS A 42 -3.541 -4.358 7.639 1.00 0.19 O ATOM 675 CB LYS A 42 -5.794 -2.029 8.278 1.00 0.30 C ATOM 676 CG LYS A 42 -4.942 -2.012 9.542 1.00 0.32 C ATOM 677 CD LYS A 42 -3.758 -1.075 9.407 1.00 0.50 C ATOM 678 CE LYS A 42 -2.876 -1.117 10.642 1.00 0.40 C ATOM 679 NZ LYS A 42 -3.574 -0.609 11.851 1.00 0.75 N ATOM 0 H LYS A 42 -5.657 -4.800 8.923 1.00 0.27 H new ATOM 0 HA LYS A 42 -6.251 -3.190 6.529 1.00 0.25 H new ATOM 0 HB2 LYS A 42 -5.510 -1.182 7.653 1.00 0.30 H new ATOM 0 HB3 LYS A 42 -6.838 -1.884 8.557 1.00 0.30 H new ATOM 0 HG2 LYS A 42 -5.554 -1.705 10.390 1.00 0.32 H new ATOM 0 HG3 LYS A 42 -4.586 -3.020 9.755 1.00 0.32 H new ATOM 0 HD2 LYS A 42 -3.172 -1.350 8.530 1.00 0.50 H new ATOM 0 HD3 LYS A 42 -4.114 -0.057 9.246 1.00 0.50 H new ATOM 0 HE2 LYS A 42 -2.549 -2.142 10.818 1.00 0.40 H new ATOM 0 HE3 LYS A 42 -1.980 -0.522 10.466 1.00 0.40 H new ATOM 0 HZ1 LYS A 42 -2.896 -0.529 12.636 1.00 0.75 H new ATOM 0 HZ2 LYS A 42 -3.982 0.326 11.649 1.00 0.75 H new ATOM 0 HZ3 LYS A 42 -4.334 -1.268 12.116 1.00 0.75 H new ATOM 693 N ILE A 43 -3.837 -2.865 5.998 1.00 0.15 N ATOM 694 CA ILE A 43 -2.612 -3.157 5.273 1.00 0.12 C ATOM 695 C ILE A 43 -1.428 -2.362 5.823 1.00 0.11 C ATOM 696 O ILE A 43 -1.559 -1.190 6.167 1.00 0.12 O ATOM 697 CB ILE A 43 -2.811 -2.811 3.790 1.00 0.10 C ATOM 698 CG1 ILE A 43 -4.135 -3.388 3.287 1.00 0.14 C ATOM 699 CG2 ILE A 43 -1.660 -3.330 2.957 1.00 0.10 C ATOM 700 CD1 ILE A 43 -4.587 -2.799 1.973 1.00 0.16 C ATOM 0 H ILE A 43 -4.347 -2.060 5.634 1.00 0.15 H new ATOM 0 HA ILE A 43 -2.390 -4.217 5.393 1.00 0.12 H new ATOM 0 HB ILE A 43 -2.839 -1.726 3.691 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.033 -4.468 3.176 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -4.906 -3.216 4.038 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.823 -3.073 1.910 1.00 0.10 H new ATOM 0 HG22 ILE A 43 -0.729 -2.878 3.301 1.00 0.10 H new ATOM 0 HG23 ILE A 43 -1.597 -4.413 3.059 1.00 0.10 H new ATOM 0 HD11 ILE A 43 -5.532 -3.254 1.676 1.00 0.16 H new ATOM 0 HD12 ILE A 43 -4.721 -1.723 2.084 1.00 0.16 H new ATOM 0 HD13 ILE A 43 -3.835 -2.994 1.209 1.00 0.16 H new ATOM 712 N ILE A 44 -0.277 -3.012 5.907 1.00 0.12 N ATOM 713 CA ILE A 44 0.929 -2.394 6.453 1.00 0.12 C ATOM 714 C ILE A 44 2.055 -2.472 5.432 1.00 0.11 C ATOM 715 O ILE A 44 2.632 -3.534 5.229 1.00 0.11 O ATOM 716 CB ILE A 44 1.433 -3.085 7.751 1.00 0.15 C ATOM 717 CG1 ILE A 44 0.363 -3.991 8.379 1.00 0.16 C ATOM 718 CG2 ILE A 44 1.902 -2.040 8.758 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.847 -3.267 8.918 1.00 0.18 C ATOM 0 H ILE A 44 -0.149 -3.977 5.602 1.00 0.12 H new ATOM 0 HA ILE A 44 0.661 -1.364 6.688 1.00 0.12 H new ATOM 0 HB ILE A 44 2.274 -3.722 7.475 1.00 0.15 H new ATOM 0 HG12 ILE A 44 0.033 -4.712 7.631 1.00 0.16 H new ATOM 0 HG13 ILE A 44 0.819 -4.559 9.190 1.00 0.16 H new ATOM 0 HG21 ILE A 44 2.252 -2.538 9.662 1.00 0.19 H new ATOM 0 HG22 ILE A 44 2.716 -1.458 8.326 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.074 -1.377 9.007 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.545 -3.990 9.341 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.536 -2.566 9.693 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -1.334 -2.721 8.110 1.00 0.18 H new ATOM 731 N LEU A 45 2.361 -1.365 4.783 1.00 0.11 N ATOM 732 CA LEU A 45 3.439 -1.349 3.811 1.00 0.10 C ATOM 733 C LEU A 45 4.724 -0.857 4.451 1.00 0.11 C ATOM 734 O LEU A 45 4.875 0.320 4.762 1.00 0.13 O ATOM 735 CB LEU A 45 3.096 -0.467 2.604 1.00 0.10 C ATOM 736 CG LEU A 45 2.333 -1.153 1.473 1.00 0.09 C ATOM 737 CD1 LEU A 45 0.958 -1.597 1.937 1.00 0.09 C ATOM 738 CD2 LEU A 45 2.209 -0.219 0.281 1.00 0.10 C ATOM 0 H LEU A 45 1.884 -0.472 4.909 1.00 0.11 H new ATOM 0 HA LEU A 45 3.577 -2.372 3.460 1.00 0.10 H new ATOM 0 HB2 LEU A 45 2.506 0.380 2.953 1.00 0.10 H new ATOM 0 HB3 LEU A 45 4.024 -0.063 2.198 1.00 0.10 H new ATOM 0 HG LEU A 45 2.893 -2.038 1.172 1.00 0.09 H new ATOM 0 HD11 LEU A 45 0.435 -2.083 1.113 1.00 0.09 H new ATOM 0 HD12 LEU A 45 1.062 -2.299 2.764 1.00 0.09 H new ATOM 0 HD13 LEU A 45 0.388 -0.729 2.267 1.00 0.09 H new ATOM 0 HD21 LEU A 45 1.663 -0.720 -0.518 1.00 0.10 H new ATOM 0 HD22 LEU A 45 1.672 0.681 0.579 1.00 0.10 H new ATOM 0 HD23 LEU A 45 3.203 0.053 -0.073 1.00 0.10 H new ATOM 750 N LYS A 46 5.645 -1.768 4.657 1.00 0.12 N ATOM 751 CA LYS A 46 6.979 -1.409 5.083 1.00 0.14 C ATOM 752 C LYS A 46 7.846 -1.387 3.854 1.00 0.19 C ATOM 753 O LYS A 46 7.482 -1.957 2.841 1.00 0.45 O ATOM 754 CB LYS A 46 7.505 -2.430 6.096 1.00 0.29 C ATOM 755 CG LYS A 46 8.810 -2.031 6.768 1.00 0.89 C ATOM 756 CD LYS A 46 9.408 -3.197 7.528 1.00 0.95 C ATOM 757 CE LYS A 46 9.991 -4.224 6.573 1.00 1.75 C ATOM 758 NZ LYS A 46 10.419 -5.462 7.273 1.00 2.11 N ATOM 0 H LYS A 46 5.495 -2.770 4.536 1.00 0.12 H new ATOM 0 HA LYS A 46 6.982 -0.434 5.571 1.00 0.14 H new ATOM 0 HB2 LYS A 46 6.747 -2.586 6.864 1.00 0.29 H new ATOM 0 HB3 LYS A 46 7.648 -3.385 5.591 1.00 0.29 H new ATOM 0 HG2 LYS A 46 9.518 -1.681 6.017 1.00 0.89 H new ATOM 0 HG3 LYS A 46 8.632 -1.200 7.451 1.00 0.89 H new ATOM 0 HD2 LYS A 46 10.186 -2.837 8.201 1.00 0.95 H new ATOM 0 HD3 LYS A 46 8.642 -3.664 8.147 1.00 0.95 H new ATOM 0 HE2 LYS A 46 9.249 -4.475 5.815 1.00 1.75 H new ATOM 0 HE3 LYS A 46 10.844 -3.790 6.052 1.00 1.75 H new ATOM 0 HZ1 LYS A 46 11.289 -5.826 6.834 1.00 2.11 H new ATOM 0 HZ2 LYS A 46 10.600 -5.250 8.275 1.00 2.11 H new ATOM 0 HZ3 LYS A 46 9.669 -6.179 7.201 1.00 2.11 H new ATOM 772 N LYS A 47 8.953 -0.703 3.909 1.00 0.19 N ATOM 773 CA LYS A 47 9.891 -0.767 2.811 1.00 0.25 C ATOM 774 C LYS A 47 10.593 -2.112 2.867 1.00 0.24 C ATOM 775 O LYS A 47 10.807 -2.651 3.953 1.00 0.28 O ATOM 776 CB LYS A 47 10.894 0.388 2.873 1.00 0.38 C ATOM 777 CG LYS A 47 11.903 0.286 4.005 1.00 0.48 C ATOM 778 CD LYS A 47 13.021 1.299 3.837 1.00 0.83 C ATOM 779 CE LYS A 47 12.581 2.693 4.244 1.00 1.57 C ATOM 780 NZ LYS A 47 13.128 3.076 5.571 1.00 2.48 N ATOM 0 H LYS A 47 9.231 -0.103 4.685 1.00 0.19 H new ATOM 0 HA LYS A 47 9.361 -0.668 1.864 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.432 0.436 1.926 1.00 0.38 H new ATOM 0 HB3 LYS A 47 10.345 1.324 2.976 1.00 0.38 H new ATOM 0 HG2 LYS A 47 11.401 0.449 4.959 1.00 0.48 H new ATOM 0 HG3 LYS A 47 12.321 -0.720 4.033 1.00 0.48 H new ATOM 0 HD2 LYS A 47 13.878 0.998 4.439 1.00 0.83 H new ATOM 0 HD3 LYS A 47 13.349 1.310 2.798 1.00 0.83 H new ATOM 0 HE2 LYS A 47 12.910 3.412 3.494 1.00 1.57 H new ATOM 0 HE3 LYS A 47 11.492 2.737 4.273 1.00 1.57 H new ATOM 0 HZ1 LYS A 47 12.806 4.034 5.816 1.00 2.48 H new ATOM 0 HZ2 LYS A 47 12.794 2.404 6.291 1.00 2.48 H new ATOM 0 HZ3 LYS A 47 14.167 3.058 5.536 1.00 2.48 H new ATOM 794 N TYR A 48 10.906 -2.672 1.713 1.00 0.26 N ATOM 795 CA TYR A 48 11.530 -3.982 1.663 1.00 0.33 C ATOM 796 C TYR A 48 12.856 -3.956 2.408 1.00 0.48 C ATOM 797 O TYR A 48 13.559 -2.945 2.400 1.00 0.58 O ATOM 798 CB TYR A 48 11.745 -4.404 0.206 1.00 0.35 C ATOM 799 CG TYR A 48 12.933 -3.734 -0.468 1.00 0.88 C ATOM 800 CD1 TYR A 48 12.875 -2.405 -0.875 1.00 1.68 C ATOM 801 CD2 TYR A 48 14.115 -4.435 -0.695 1.00 1.81 C ATOM 802 CE1 TYR A 48 13.956 -1.793 -1.481 1.00 2.32 C ATOM 803 CE2 TYR A 48 15.199 -3.829 -1.302 1.00 2.49 C ATOM 804 CZ TYR A 48 15.116 -2.509 -1.694 1.00 2.51 C ATOM 805 OH TYR A 48 16.197 -1.902 -2.295 1.00 3.33 O ATOM 0 H TYR A 48 10.740 -2.244 0.802 1.00 0.26 H new ATOM 0 HA TYR A 48 10.874 -4.708 2.144 1.00 0.33 H new ATOM 0 HB2 TYR A 48 11.882 -5.485 0.169 1.00 0.35 H new ATOM 0 HB3 TYR A 48 10.843 -4.178 -0.363 1.00 0.35 H new ATOM 0 HD1 TYR A 48 11.968 -1.841 -0.714 1.00 1.68 H new ATOM 0 HD2 TYR A 48 14.186 -5.469 -0.392 1.00 1.81 H new ATOM 0 HE1 TYR A 48 13.893 -0.759 -1.786 1.00 2.32 H new ATOM 0 HE2 TYR A 48 16.108 -4.387 -1.469 1.00 2.49 H new ATOM 0 HH TYR A 48 16.933 -2.544 -2.369 1.00 3.33 H new ATOM 939 N SER B 3 -1.909 -10.487 7.422 1.00 0.29 N ATOM 940 CA SER B 3 -0.524 -10.268 7.016 1.00 0.22 C ATOM 941 C SER B 3 -0.018 -11.390 6.147 1.00 0.24 C ATOM 942 O SER B 3 -0.270 -12.570 6.406 1.00 0.40 O ATOM 943 CB SER B 3 0.383 -10.179 8.242 1.00 0.28 C ATOM 944 OG SER B 3 0.415 -8.884 8.796 1.00 1.17 O ATOM 0 HA SER B 3 -0.503 -9.335 6.454 1.00 0.22 H new ATOM 0 HB2 SER B 3 0.038 -10.885 8.997 1.00 0.28 H new ATOM 0 HB3 SER B 3 1.394 -10.477 7.965 1.00 0.28 H new ATOM 0 HG SER B 3 -0.386 -8.742 9.343 1.00 1.17 H new ATOM 950 N THR B 4 0.701 -11.011 5.121 1.00 0.20 N ATOM 951 CA THR B 4 1.359 -11.974 4.287 1.00 0.22 C ATOM 952 C THR B 4 2.865 -11.887 4.483 1.00 0.23 C ATOM 953 O THR B 4 3.577 -12.885 4.388 1.00 0.28 O ATOM 954 CB THR B 4 0.994 -11.755 2.811 1.00 0.23 C ATOM 955 OG1 THR B 4 1.109 -10.362 2.484 1.00 0.24 O ATOM 956 CG2 THR B 4 -0.422 -12.237 2.537 1.00 0.22 C ATOM 0 H THR B 4 0.843 -10.039 4.846 1.00 0.20 H new ATOM 0 HA THR B 4 1.023 -12.971 4.573 1.00 0.22 H new ATOM 0 HB THR B 4 1.683 -12.328 2.190 1.00 0.23 H new ATOM 0 HG1 THR B 4 1.935 -10.002 2.870 1.00 0.24 H new ATOM 0 HG21 THR B 4 -0.665 -12.075 1.487 1.00 0.22 H new ATOM 0 HG22 THR B 4 -0.495 -13.300 2.766 1.00 0.22 H new ATOM 0 HG23 THR B 4 -1.122 -11.682 3.161 1.00 0.22 H new ATOM 964 N GLY B 5 3.340 -10.685 4.800 1.00 0.20 N ATOM 965 CA GLY B 5 4.767 -10.453 4.879 1.00 0.21 C ATOM 966 C GLY B 5 5.374 -10.551 3.502 1.00 0.19 C ATOM 967 O GLY B 5 6.419 -11.167 3.295 1.00 0.29 O ATOM 0 H GLY B 5 2.761 -9.870 5.003 1.00 0.20 H new ATOM 0 HA2 GLY B 5 4.962 -9.468 5.304 1.00 0.21 H new ATOM 0 HA3 GLY B 5 5.228 -11.184 5.543 1.00 0.21 H new ATOM 971 N ILE B 6 4.687 -9.927 2.565 1.00 0.12 N ATOM 972 CA ILE B 6 4.940 -10.106 1.154 1.00 0.12 C ATOM 973 C ILE B 6 5.360 -8.778 0.531 1.00 0.11 C ATOM 974 O ILE B 6 4.677 -7.770 0.697 1.00 0.11 O ATOM 975 CB ILE B 6 3.659 -10.681 0.477 1.00 0.13 C ATOM 976 CG1 ILE B 6 3.877 -12.143 0.073 1.00 0.17 C ATOM 977 CG2 ILE B 6 3.227 -9.866 -0.740 1.00 0.16 C ATOM 978 CD1 ILE B 6 4.228 -13.058 1.225 1.00 0.20 C ATOM 0 H ILE B 6 3.929 -9.275 2.767 1.00 0.12 H new ATOM 0 HA ILE B 6 5.756 -10.813 1.002 1.00 0.12 H new ATOM 0 HB ILE B 6 2.858 -10.620 1.214 1.00 0.13 H new ATOM 0 HG12 ILE B 6 2.972 -12.514 -0.409 1.00 0.17 H new ATOM 0 HG13 ILE B 6 4.675 -12.188 -0.669 1.00 0.17 H new ATOM 0 HG21 ILE B 6 2.331 -10.308 -1.175 1.00 0.16 H new ATOM 0 HG22 ILE B 6 3.015 -8.841 -0.435 1.00 0.16 H new ATOM 0 HG23 ILE B 6 4.027 -9.866 -1.480 1.00 0.16 H new ATOM 0 HD11 ILE B 6 4.366 -14.074 0.854 1.00 0.20 H new ATOM 0 HD12 ILE B 6 5.150 -12.715 1.694 1.00 0.20 H new ATOM 0 HD13 ILE B 6 3.422 -13.046 1.958 1.00 0.20 H new ATOM 990 N VAL B 7 6.499 -8.758 -0.144 1.00 0.13 N ATOM 991 CA VAL B 7 6.972 -7.518 -0.736 1.00 0.12 C ATOM 992 C VAL B 7 6.521 -7.404 -2.191 1.00 0.13 C ATOM 993 O VAL B 7 6.470 -8.398 -2.917 1.00 0.17 O ATOM 994 CB VAL B 7 8.512 -7.350 -0.663 1.00 0.15 C ATOM 995 CG1 VAL B 7 9.054 -7.788 0.685 1.00 0.20 C ATOM 996 CG2 VAL B 7 9.229 -8.080 -1.790 1.00 0.18 C ATOM 0 H VAL B 7 7.101 -9.568 -0.293 1.00 0.13 H new ATOM 0 HA VAL B 7 6.528 -6.719 -0.142 1.00 0.12 H new ATOM 0 HB VAL B 7 8.712 -6.286 -0.786 1.00 0.15 H new ATOM 0 HG11 VAL B 7 10.136 -7.657 0.702 1.00 0.20 H new ATOM 0 HG12 VAL B 7 8.603 -7.184 1.472 1.00 0.20 H new ATOM 0 HG13 VAL B 7 8.813 -8.838 0.850 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.304 -7.931 -1.694 1.00 0.18 H new ATOM 0 HG22 VAL B 7 9.004 -9.145 -1.735 1.00 0.18 H new ATOM 0 HG23 VAL B 7 8.893 -7.687 -2.750 1.00 0.18 H new ATOM 1006 N ARG B 8 6.175 -6.198 -2.608 1.00 0.12 N ATOM 1007 CA ARG B 8 5.780 -5.952 -3.989 1.00 0.13 C ATOM 1008 C ARG B 8 6.458 -4.710 -4.534 1.00 0.14 C ATOM 1009 O ARG B 8 6.851 -3.824 -3.775 1.00 0.14 O ATOM 1010 CB ARG B 8 4.261 -5.821 -4.110 1.00 0.13 C ATOM 1011 CG ARG B 8 3.536 -7.133 -3.906 1.00 0.15 C ATOM 1012 CD ARG B 8 4.026 -8.143 -4.920 1.00 0.21 C ATOM 1013 NE ARG B 8 3.324 -9.423 -4.824 1.00 0.27 N ATOM 1014 CZ ARG B 8 3.848 -10.529 -4.296 1.00 0.90 C ATOM 1015 NH1 ARG B 8 5.051 -10.503 -3.735 1.00 1.94 N ATOM 1016 NH2 ARG B 8 3.150 -11.655 -4.316 1.00 0.79 N ATOM 0 H ARG B 8 6.159 -5.371 -2.011 1.00 0.12 H new ATOM 0 HA ARG B 8 6.100 -6.809 -4.582 1.00 0.13 H new ATOM 0 HB2 ARG B 8 3.905 -5.098 -3.377 1.00 0.13 H new ATOM 0 HB3 ARG B 8 4.013 -5.425 -5.095 1.00 0.13 H new ATOM 0 HG2 ARG B 8 3.709 -7.503 -2.895 1.00 0.15 H new ATOM 0 HG3 ARG B 8 2.461 -6.987 -4.012 1.00 0.15 H new ATOM 0 HD2 ARG B 8 3.897 -7.737 -5.923 1.00 0.21 H new ATOM 0 HD3 ARG B 8 5.094 -8.307 -4.777 1.00 0.21 H new ATOM 0 HE ARG B 8 2.371 -9.472 -5.185 1.00 0.27 H new ATOM 0 HH11 ARG B 8 5.581 -9.632 -3.706 1.00 1.94 H new ATOM 0 HH12 ARG B 8 5.445 -11.354 -3.333 1.00 1.94 H new ATOM 0 HH21 ARG B 8 2.219 -11.671 -4.733 1.00 0.79 H new ATOM 0 HH22 ARG B 8 3.543 -12.506 -3.914 1.00 0.79 H new ATOM 1030 N LYS B 9 6.600 -4.662 -5.849 1.00 0.15 N ATOM 1031 CA LYS B 9 7.215 -3.521 -6.517 1.00 0.15 C ATOM 1032 C LYS B 9 6.202 -2.397 -6.665 1.00 0.15 C ATOM 1033 O LYS B 9 4.995 -2.641 -6.752 1.00 0.19 O ATOM 1034 CB LYS B 9 7.736 -3.923 -7.903 1.00 0.17 C ATOM 1035 CG LYS B 9 8.634 -5.155 -7.907 1.00 0.25 C ATOM 1036 CD LYS B 9 10.120 -4.803 -7.962 1.00 0.37 C ATOM 1037 CE LYS B 9 10.640 -4.265 -6.640 1.00 0.44 C ATOM 1038 NZ LYS B 9 12.108 -4.025 -6.680 1.00 1.37 N ATOM 0 H LYS B 9 6.296 -5.404 -6.480 1.00 0.15 H new ATOM 0 HA LYS B 9 8.053 -3.179 -5.909 1.00 0.15 H new ATOM 0 HB2 LYS B 9 6.885 -4.107 -8.558 1.00 0.17 H new ATOM 0 HB3 LYS B 9 8.289 -3.085 -8.327 1.00 0.17 H new ATOM 0 HG2 LYS B 9 8.438 -5.745 -7.012 1.00 0.25 H new ATOM 0 HG3 LYS B 9 8.381 -5.781 -8.763 1.00 0.25 H new ATOM 0 HD2 LYS B 9 10.690 -5.690 -8.239 1.00 0.37 H new ATOM 0 HD3 LYS B 9 10.286 -4.061 -8.743 1.00 0.37 H new ATOM 0 HE2 LYS B 9 10.126 -3.335 -6.399 1.00 0.44 H new ATOM 0 HE3 LYS B 9 10.409 -4.972 -5.844 1.00 0.44 H new ATOM 0 HZ1 LYS B 9 12.505 -4.142 -5.726 1.00 1.37 H new ATOM 0 HZ2 LYS B 9 12.554 -4.707 -7.326 1.00 1.37 H new ATOM 0 HZ3 LYS B 9 12.293 -3.058 -7.016 1.00 1.37 H new ATOM 1052 N VAL B 10 6.701 -1.172 -6.713 1.00 0.14 N ATOM 1053 CA VAL B 10 5.841 0.006 -6.753 1.00 0.15 C ATOM 1054 C VAL B 10 5.601 0.458 -8.208 1.00 0.18 C ATOM 1055 O VAL B 10 5.206 1.598 -8.477 1.00 0.21 O ATOM 1056 CB VAL B 10 6.457 1.145 -5.901 1.00 0.18 C ATOM 1057 CG1 VAL B 10 5.509 2.326 -5.753 1.00 0.22 C ATOM 1058 CG2 VAL B 10 6.853 0.619 -4.530 1.00 0.19 C ATOM 0 H VAL B 10 7.700 -0.965 -6.725 1.00 0.14 H new ATOM 0 HA VAL B 10 4.872 -0.251 -6.326 1.00 0.15 H new ATOM 0 HB VAL B 10 7.344 1.500 -6.425 1.00 0.18 H new ATOM 0 HG11 VAL B 10 5.983 3.099 -5.149 1.00 0.22 H new ATOM 0 HG12 VAL B 10 5.273 2.729 -6.738 1.00 0.22 H new ATOM 0 HG13 VAL B 10 4.591 1.997 -5.266 1.00 0.22 H new ATOM 0 HG21 VAL B 10 7.284 1.428 -3.941 1.00 0.19 H new ATOM 0 HG22 VAL B 10 5.971 0.230 -4.021 1.00 0.19 H new ATOM 0 HG23 VAL B 10 7.588 -0.178 -4.644 1.00 0.19 H new ATOM 1068 N ASP B 11 5.839 -0.464 -9.146 1.00 0.21 N ATOM 1069 CA ASP B 11 5.547 -0.241 -10.558 1.00 0.30 C ATOM 1070 C ASP B 11 6.429 0.881 -11.094 1.00 0.38 C ATOM 1071 O ASP B 11 7.578 1.014 -10.700 1.00 0.66 O ATOM 1072 CB ASP B 11 4.058 0.107 -10.733 1.00 0.33 C ATOM 1073 CG ASP B 11 3.558 0.007 -12.159 1.00 0.35 C ATOM 1074 OD1 ASP B 11 3.360 -1.121 -12.655 1.00 1.11 O ATOM 1075 OD2 ASP B 11 3.341 1.074 -12.780 1.00 1.17 O ATOM 0 H ASP B 11 6.238 -1.381 -8.945 1.00 0.21 H new ATOM 0 HA ASP B 11 5.759 -1.149 -11.122 1.00 0.30 H new ATOM 0 HB2 ASP B 11 3.465 -0.558 -10.105 1.00 0.33 H new ATOM 0 HB3 ASP B 11 3.889 1.121 -10.371 1.00 0.33 H new ATOM 1080 N GLU B 12 5.894 1.664 -12.001 1.00 0.30 N ATOM 1081 CA GLU B 12 6.587 2.822 -12.539 1.00 0.31 C ATOM 1082 C GLU B 12 5.827 4.080 -12.187 1.00 0.25 C ATOM 1083 O GLU B 12 6.405 5.092 -11.808 1.00 0.28 O ATOM 1084 CB GLU B 12 6.698 2.740 -14.058 1.00 0.41 C ATOM 1085 CG GLU B 12 5.815 1.683 -14.682 1.00 0.51 C ATOM 1086 CD GLU B 12 6.576 0.412 -14.992 1.00 1.03 C ATOM 1087 OE1 GLU B 12 7.030 -0.269 -14.051 1.00 2.09 O ATOM 1088 OE2 GLU B 12 6.743 0.105 -16.191 1.00 1.00 O ATOM 0 H GLU B 12 4.963 1.519 -12.391 1.00 0.30 H new ATOM 0 HA GLU B 12 7.587 2.842 -12.106 1.00 0.31 H new ATOM 0 HB2 GLU B 12 6.442 3.710 -14.484 1.00 0.41 H new ATOM 0 HB3 GLU B 12 7.735 2.537 -14.326 1.00 0.41 H new ATOM 0 HG2 GLU B 12 4.991 1.455 -14.006 1.00 0.51 H new ATOM 0 HG3 GLU B 12 5.376 2.074 -15.600 1.00 0.51 H new ATOM 1095 N LEU B 13 4.516 3.999 -12.333 1.00 0.24 N ATOM 1096 CA LEU B 13 3.649 5.142 -12.093 1.00 0.24 C ATOM 1097 C LEU B 13 3.511 5.426 -10.600 1.00 0.23 C ATOM 1098 O LEU B 13 3.046 6.493 -10.203 1.00 0.32 O ATOM 1099 CB LEU B 13 2.276 4.924 -12.739 1.00 0.32 C ATOM 1100 CG LEU B 13 2.225 5.137 -14.259 1.00 0.42 C ATOM 1101 CD1 LEU B 13 2.691 6.541 -14.614 1.00 0.49 C ATOM 1102 CD2 LEU B 13 3.064 4.095 -14.986 1.00 0.40 C ATOM 0 H LEU B 13 4.026 3.151 -12.618 1.00 0.24 H new ATOM 0 HA LEU B 13 4.108 6.016 -12.555 1.00 0.24 H new ATOM 0 HB2 LEU B 13 1.947 3.908 -12.520 1.00 0.32 H new ATOM 0 HB3 LEU B 13 1.561 5.599 -12.270 1.00 0.32 H new ATOM 0 HG LEU B 13 1.191 5.021 -14.583 1.00 0.42 H new ATOM 0 HD11 LEU B 13 2.649 6.676 -15.695 1.00 0.49 H new ATOM 0 HD12 LEU B 13 2.043 7.272 -14.131 1.00 0.49 H new ATOM 0 HD13 LEU B 13 3.716 6.682 -14.270 1.00 0.49 H new ATOM 0 HD21 LEU B 13 3.010 4.269 -16.061 1.00 0.40 H new ATOM 0 HD22 LEU B 13 4.101 4.169 -14.658 1.00 0.40 H new ATOM 0 HD23 LEU B 13 2.683 3.099 -14.761 1.00 0.40 H new ATOM 1114 N GLY B 14 3.907 4.462 -9.780 1.00 0.17 N ATOM 1115 CA GLY B 14 3.939 4.675 -8.346 1.00 0.15 C ATOM 1116 C GLY B 14 2.915 3.837 -7.637 1.00 0.14 C ATOM 1117 O GLY B 14 2.617 4.057 -6.479 1.00 0.15 O ATOM 0 H GLY B 14 4.207 3.535 -10.082 1.00 0.17 H new ATOM 0 HA2 GLY B 14 4.932 4.436 -7.965 1.00 0.15 H new ATOM 0 HA3 GLY B 14 3.760 5.728 -8.130 1.00 0.15 H new ATOM 1121 N ARG B 15 2.370 2.875 -8.343 1.00 0.16 N ATOM 1122 CA ARG B 15 1.371 2.003 -7.788 1.00 0.14 C ATOM 1123 C ARG B 15 1.974 0.667 -7.359 1.00 0.16 C ATOM 1124 O ARG B 15 2.536 -0.059 -8.172 1.00 0.20 O ATOM 1125 CB ARG B 15 0.270 1.808 -8.820 1.00 0.16 C ATOM 1126 CG ARG B 15 0.782 1.360 -10.172 1.00 0.25 C ATOM 1127 CD ARG B 15 0.047 2.035 -11.308 1.00 0.48 C ATOM 1128 NE ARG B 15 0.712 1.776 -12.585 1.00 0.87 N ATOM 1129 CZ ARG B 15 0.103 1.757 -13.768 1.00 1.14 C ATOM 1130 NH1 ARG B 15 -1.210 1.925 -13.852 1.00 1.00 N ATOM 1131 NH2 ARG B 15 0.816 1.535 -14.866 1.00 1.72 N ATOM 0 H ARG B 15 2.608 2.678 -9.315 1.00 0.16 H new ATOM 0 HA ARG B 15 0.951 2.457 -6.890 1.00 0.14 H new ATOM 0 HB2 ARG B 15 -0.440 1.070 -8.447 1.00 0.16 H new ATOM 0 HB3 ARG B 15 -0.276 2.744 -8.939 1.00 0.16 H new ATOM 0 HG2 ARG B 15 1.847 1.580 -10.248 1.00 0.25 H new ATOM 0 HG3 ARG B 15 0.673 0.279 -10.261 1.00 0.25 H new ATOM 0 HD2 ARG B 15 -0.980 1.673 -11.348 1.00 0.48 H new ATOM 0 HD3 ARG B 15 -0.000 3.109 -11.129 1.00 0.48 H new ATOM 0 HE ARG B 15 1.716 1.597 -12.567 1.00 0.87 H new ATOM 0 HH11 ARG B 15 -1.761 2.070 -13.006 1.00 1.00 H new ATOM 0 HH12 ARG B 15 -1.669 1.909 -14.763 1.00 1.00 H new ATOM 0 HH21 ARG B 15 1.822 1.381 -14.798 1.00 1.72 H new ATOM 0 HH22 ARG B 15 0.358 1.519 -15.777 1.00 1.72 H new ATOM 1145 N VAL B 16 1.830 0.329 -6.084 1.00 0.14 N ATOM 1146 CA VAL B 16 2.346 -0.936 -5.584 1.00 0.14 C ATOM 1147 C VAL B 16 1.324 -2.013 -5.883 1.00 0.12 C ATOM 1148 O VAL B 16 0.148 -1.863 -5.562 1.00 0.11 O ATOM 1149 CB VAL B 16 2.634 -0.907 -4.056 1.00 0.16 C ATOM 1150 CG1 VAL B 16 1.357 -0.922 -3.235 1.00 0.15 C ATOM 1151 CG2 VAL B 16 3.539 -2.064 -3.663 1.00 0.17 C ATOM 0 H VAL B 16 1.365 0.907 -5.384 1.00 0.14 H new ATOM 0 HA VAL B 16 3.296 -1.135 -6.081 1.00 0.14 H new ATOM 0 HB VAL B 16 3.146 0.030 -3.838 1.00 0.16 H new ATOM 0 HG11 VAL B 16 1.606 -0.901 -2.174 1.00 0.15 H new ATOM 0 HG12 VAL B 16 0.754 -0.048 -3.484 1.00 0.15 H new ATOM 0 HG13 VAL B 16 0.792 -1.828 -3.457 1.00 0.15 H new ATOM 0 HG21 VAL B 16 3.730 -2.028 -2.590 1.00 0.17 H new ATOM 0 HG22 VAL B 16 3.054 -3.007 -3.914 1.00 0.17 H new ATOM 0 HG23 VAL B 16 4.483 -1.987 -4.203 1.00 0.17 H new ATOM 1161 N VAL B 17 1.744 -3.081 -6.531 1.00 0.11 N ATOM 1162 CA VAL B 17 0.799 -4.113 -6.894 1.00 0.10 C ATOM 1163 C VAL B 17 0.453 -4.930 -5.666 1.00 0.10 C ATOM 1164 O VAL B 17 1.071 -5.956 -5.382 1.00 0.10 O ATOM 1165 CB VAL B 17 1.319 -5.031 -8.017 1.00 0.10 C ATOM 1166 CG1 VAL B 17 0.216 -5.963 -8.497 1.00 0.14 C ATOM 1167 CG2 VAL B 17 1.873 -4.212 -9.174 1.00 0.12 C ATOM 0 H VAL B 17 2.710 -3.254 -6.811 1.00 0.11 H new ATOM 0 HA VAL B 17 -0.092 -3.621 -7.283 1.00 0.10 H new ATOM 0 HB VAL B 17 2.130 -5.637 -7.614 1.00 0.10 H new ATOM 0 HG11 VAL B 17 0.601 -6.604 -9.290 1.00 0.14 H new ATOM 0 HG12 VAL B 17 -0.127 -6.580 -7.666 1.00 0.14 H new ATOM 0 HG13 VAL B 17 -0.618 -5.374 -8.879 1.00 0.14 H new ATOM 0 HG21 VAL B 17 2.234 -4.882 -9.954 1.00 0.12 H new ATOM 0 HG22 VAL B 17 1.086 -3.575 -9.578 1.00 0.12 H new ATOM 0 HG23 VAL B 17 2.696 -3.592 -8.819 1.00 0.12 H new ATOM 1177 N ILE B 18 -0.513 -4.424 -4.919 1.00 0.10 N ATOM 1178 CA ILE B 18 -0.981 -5.086 -3.734 1.00 0.10 C ATOM 1179 C ILE B 18 -1.721 -6.353 -4.130 1.00 0.09 C ATOM 1180 O ILE B 18 -2.677 -6.302 -4.902 1.00 0.10 O ATOM 1181 CB ILE B 18 -1.882 -4.182 -2.867 1.00 0.12 C ATOM 1182 CG1 ILE B 18 -2.685 -5.017 -1.862 1.00 0.12 C ATOM 1183 CG2 ILE B 18 -2.804 -3.323 -3.719 1.00 0.12 C ATOM 1184 CD1 ILE B 18 -3.404 -4.187 -0.825 1.00 0.16 C ATOM 0 H ILE B 18 -0.988 -3.545 -5.124 1.00 0.10 H new ATOM 0 HA ILE B 18 -0.113 -5.335 -3.123 1.00 0.10 H new ATOM 0 HB ILE B 18 -1.231 -3.508 -2.310 1.00 0.12 H new ATOM 0 HG12 ILE B 18 -3.415 -5.619 -2.403 1.00 0.12 H new ATOM 0 HG13 ILE B 18 -2.011 -5.710 -1.358 1.00 0.12 H new ATOM 0 HG21 ILE B 18 -3.422 -2.701 -3.072 1.00 0.12 H new ATOM 0 HG22 ILE B 18 -2.207 -2.686 -4.372 1.00 0.12 H new ATOM 0 HG23 ILE B 18 -3.444 -3.965 -4.324 1.00 0.12 H new ATOM 0 HD11 ILE B 18 -3.951 -4.844 -0.148 1.00 0.16 H new ATOM 0 HD12 ILE B 18 -2.678 -3.605 -0.258 1.00 0.16 H new ATOM 0 HD13 ILE B 18 -4.103 -3.513 -1.320 1.00 0.16 H new ATOM 1196 N PRO B 19 -1.276 -7.509 -3.636 1.00 0.11 N ATOM 1197 CA PRO B 19 -1.836 -8.791 -4.038 1.00 0.15 C ATOM 1198 C PRO B 19 -3.353 -8.846 -3.923 1.00 0.17 C ATOM 1199 O PRO B 19 -3.938 -8.355 -2.951 1.00 0.16 O ATOM 1200 CB PRO B 19 -1.202 -9.781 -3.070 1.00 0.19 C ATOM 1201 CG PRO B 19 0.082 -9.136 -2.669 1.00 0.17 C ATOM 1202 CD PRO B 19 -0.189 -7.658 -2.656 1.00 0.14 C ATOM 0 HA PRO B 19 -1.628 -8.998 -5.088 1.00 0.15 H new ATOM 0 HB2 PRO B 19 -1.844 -9.960 -2.207 1.00 0.19 H new ATOM 0 HB3 PRO B 19 -1.030 -10.747 -3.545 1.00 0.19 H new ATOM 0 HG2 PRO B 19 0.404 -9.483 -1.687 1.00 0.17 H new ATOM 0 HG3 PRO B 19 0.879 -9.381 -3.371 1.00 0.17 H new ATOM 0 HD2 PRO B 19 -0.488 -7.312 -1.667 1.00 0.14 H new ATOM 0 HD3 PRO B 19 0.693 -7.084 -2.942 1.00 0.14 H new ATOM 1210 N ILE B 20 -3.976 -9.465 -4.920 1.00 0.23 N ATOM 1211 CA ILE B 20 -5.422 -9.652 -4.949 1.00 0.27 C ATOM 1212 C ILE B 20 -5.907 -10.312 -3.670 1.00 0.28 C ATOM 1213 O ILE B 20 -7.017 -10.072 -3.214 1.00 0.28 O ATOM 1214 CB ILE B 20 -5.842 -10.513 -6.158 1.00 0.35 C ATOM 1215 CG1 ILE B 20 -5.185 -11.902 -6.106 1.00 0.40 C ATOM 1216 CG2 ILE B 20 -5.489 -9.796 -7.449 1.00 0.38 C ATOM 1217 CD1 ILE B 20 -6.050 -12.965 -5.461 1.00 0.43 C ATOM 0 H ILE B 20 -3.493 -9.851 -5.731 1.00 0.23 H new ATOM 0 HA ILE B 20 -5.878 -8.666 -5.038 1.00 0.27 H new ATOM 0 HB ILE B 20 -6.921 -10.660 -6.120 1.00 0.35 H new ATOM 0 HG12 ILE B 20 -4.938 -12.215 -7.121 1.00 0.40 H new ATOM 0 HG13 ILE B 20 -4.246 -11.829 -5.557 1.00 0.40 H new ATOM 0 HG21 ILE B 20 -5.788 -10.409 -8.299 1.00 0.38 H new ATOM 0 HG22 ILE B 20 -6.012 -8.840 -7.489 1.00 0.38 H new ATOM 0 HG23 ILE B 20 -4.413 -9.623 -7.487 1.00 0.38 H new ATOM 0 HD11 ILE B 20 -5.518 -13.916 -5.462 1.00 0.43 H new ATOM 0 HD12 ILE B 20 -6.276 -12.676 -4.435 1.00 0.43 H new ATOM 0 HD13 ILE B 20 -6.979 -13.068 -6.022 1.00 0.43 H new ATOM 1229 N GLU B 21 -5.037 -11.117 -3.092 1.00 0.30 N ATOM 1230 CA GLU B 21 -5.350 -11.886 -1.906 1.00 0.33 C ATOM 1231 C GLU B 21 -5.557 -10.963 -0.718 1.00 0.30 C ATOM 1232 O GLU B 21 -6.477 -11.142 0.085 1.00 0.30 O ATOM 1233 CB GLU B 21 -4.208 -12.850 -1.625 1.00 0.38 C ATOM 1234 CG GLU B 21 -3.385 -13.171 -2.865 1.00 0.37 C ATOM 1235 CD GLU B 21 -2.300 -14.189 -2.606 1.00 0.44 C ATOM 1236 OE1 GLU B 21 -1.197 -13.788 -2.190 1.00 1.06 O ATOM 1237 OE2 GLU B 21 -2.539 -15.389 -2.839 1.00 1.27 O ATOM 0 H GLU B 21 -4.087 -11.256 -3.436 1.00 0.30 H new ATOM 0 HA GLU B 21 -6.271 -12.446 -2.070 1.00 0.33 H new ATOM 0 HB2 GLU B 21 -3.556 -12.421 -0.864 1.00 0.38 H new ATOM 0 HB3 GLU B 21 -4.613 -13.775 -1.214 1.00 0.38 H new ATOM 0 HG2 GLU B 21 -4.047 -13.544 -3.647 1.00 0.37 H new ATOM 0 HG3 GLU B 21 -2.932 -12.254 -3.241 1.00 0.37 H new ATOM 1244 N LEU B 22 -4.713 -9.953 -0.620 1.00 0.28 N ATOM 1245 CA LEU B 22 -4.818 -9.016 0.470 1.00 0.27 C ATOM 1246 C LEU B 22 -6.046 -8.139 0.312 1.00 0.23 C ATOM 1247 O LEU B 22 -6.788 -7.937 1.269 1.00 0.25 O ATOM 1248 CB LEU B 22 -3.555 -8.180 0.596 1.00 0.28 C ATOM 1249 CG LEU B 22 -2.391 -8.923 1.239 1.00 0.30 C ATOM 1250 CD1 LEU B 22 -1.667 -9.785 0.224 1.00 0.52 C ATOM 1251 CD2 LEU B 22 -1.435 -7.948 1.902 1.00 0.41 C ATOM 0 H LEU B 22 -3.956 -9.766 -1.277 1.00 0.28 H new ATOM 0 HA LEU B 22 -4.930 -9.584 1.394 1.00 0.27 H new ATOM 0 HB2 LEU B 22 -3.255 -7.840 -0.395 1.00 0.28 H new ATOM 0 HB3 LEU B 22 -3.776 -7.290 1.185 1.00 0.28 H new ATOM 0 HG LEU B 22 -2.794 -9.582 2.008 1.00 0.30 H new ATOM 0 HD11 LEU B 22 -0.841 -10.304 0.710 1.00 0.52 H new ATOM 0 HD12 LEU B 22 -2.360 -10.516 -0.192 1.00 0.52 H new ATOM 0 HD13 LEU B 22 -1.279 -9.156 -0.577 1.00 0.52 H new ATOM 0 HD21 LEU B 22 -0.611 -8.498 2.355 1.00 0.41 H new ATOM 0 HD22 LEU B 22 -1.043 -7.258 1.155 1.00 0.41 H new ATOM 0 HD23 LEU B 22 -1.964 -7.387 2.672 1.00 0.41 H new ATOM 1263 N ARG B 23 -6.310 -7.667 -0.904 1.00 0.20 N ATOM 1264 CA ARG B 23 -7.494 -6.854 -1.135 1.00 0.19 C ATOM 1265 C ARG B 23 -8.727 -7.729 -0.961 1.00 0.20 C ATOM 1266 O ARG B 23 -9.815 -7.250 -0.658 1.00 0.21 O ATOM 1267 CB ARG B 23 -7.445 -6.177 -2.522 1.00 0.22 C ATOM 1268 CG ARG B 23 -7.631 -7.106 -3.717 1.00 0.33 C ATOM 1269 CD ARG B 23 -9.106 -7.415 -3.950 1.00 0.48 C ATOM 1270 NE ARG B 23 -9.356 -8.131 -5.195 1.00 0.71 N ATOM 1271 CZ ARG B 23 -10.570 -8.517 -5.593 1.00 0.94 C ATOM 1272 NH1 ARG B 23 -11.644 -8.213 -4.868 1.00 1.10 N ATOM 1273 NH2 ARG B 23 -10.710 -9.190 -6.721 1.00 1.20 N ATOM 0 H ARG B 23 -5.731 -7.831 -1.728 1.00 0.20 H new ATOM 0 HA ARG B 23 -7.535 -6.044 -0.407 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.217 -5.409 -2.559 1.00 0.22 H new ATOM 0 HB3 ARG B 23 -6.486 -5.670 -2.625 1.00 0.22 H new ATOM 0 HG2 ARG B 23 -7.208 -6.644 -4.609 1.00 0.33 H new ATOM 0 HG3 ARG B 23 -7.084 -8.034 -3.548 1.00 0.33 H new ATOM 0 HD2 ARG B 23 -9.482 -8.008 -3.116 1.00 0.48 H new ATOM 0 HD3 ARG B 23 -9.669 -6.482 -3.957 1.00 0.48 H new ATOM 0 HE ARG B 23 -8.560 -8.349 -5.794 1.00 0.71 H new ATOM 0 HH11 ARG B 23 -11.542 -7.682 -4.003 1.00 1.10 H new ATOM 0 HH12 ARG B 23 -12.569 -8.511 -5.177 1.00 1.10 H new ATOM 0 HH21 ARG B 23 -9.891 -9.414 -7.286 1.00 1.20 H new ATOM 0 HH22 ARG B 23 -11.637 -9.486 -7.027 1.00 1.20 H new ATOM 1287 N ARG B 24 -8.513 -9.027 -1.120 1.00 0.24 N ATOM 1288 CA ARG B 24 -9.531 -10.027 -0.887 1.00 0.27 C ATOM 1289 C ARG B 24 -9.776 -10.125 0.604 1.00 0.29 C ATOM 1290 O ARG B 24 -10.891 -10.374 1.058 1.00 0.33 O ATOM 1291 CB ARG B 24 -9.050 -11.364 -1.469 1.00 0.30 C ATOM 1292 CG ARG B 24 -10.013 -12.526 -1.301 1.00 0.38 C ATOM 1293 CD ARG B 24 -9.867 -13.170 0.064 1.00 0.65 C ATOM 1294 NE ARG B 24 -10.849 -14.229 0.287 1.00 0.70 N ATOM 1295 CZ ARG B 24 -10.537 -15.473 0.647 1.00 1.25 C ATOM 1296 NH1 ARG B 24 -9.265 -15.851 0.727 1.00 2.11 N ATOM 1297 NH2 ARG B 24 -11.504 -16.346 0.896 1.00 1.28 N ATOM 0 H ARG B 24 -7.617 -9.414 -1.417 1.00 0.24 H new ATOM 0 HA ARG B 24 -10.469 -9.760 -1.374 1.00 0.27 H new ATOM 0 HB2 ARG B 24 -8.851 -11.229 -2.532 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -8.103 -11.627 -0.998 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -11.036 -12.175 -1.432 1.00 0.38 H new ATOM 0 HG3 ARG B 24 -9.829 -13.269 -2.077 1.00 0.38 H new ATOM 0 HD2 ARG B 24 -8.863 -13.582 0.163 1.00 0.65 H new ATOM 0 HD3 ARG B 24 -9.976 -12.408 0.836 1.00 0.65 H new ATOM 0 HE ARG B 24 -11.835 -14.001 0.159 1.00 0.70 H new ATOM 0 HH11 ARG B 24 -8.521 -15.187 0.512 1.00 2.11 H new ATOM 0 HH12 ARG B 24 -9.033 -16.805 1.003 1.00 2.11 H new ATOM 0 HH21 ARG B 24 -12.480 -16.063 0.811 1.00 1.28 H new ATOM 0 HH22 ARG B 24 -11.271 -17.300 1.172 1.00 1.28 H new ATOM 1311 N THR B 25 -8.718 -9.881 1.357 1.00 0.29 N ATOM 1312 CA THR B 25 -8.780 -9.940 2.798 1.00 0.35 C ATOM 1313 C THR B 25 -9.592 -8.775 3.353 1.00 0.33 C ATOM 1314 O THR B 25 -10.356 -8.932 4.307 1.00 0.37 O ATOM 1315 CB THR B 25 -7.365 -9.937 3.406 1.00 0.41 C ATOM 1316 OG1 THR B 25 -6.640 -11.083 2.937 1.00 0.45 O ATOM 1317 CG2 THR B 25 -7.416 -9.951 4.926 1.00 0.51 C ATOM 0 H THR B 25 -7.800 -9.638 0.985 1.00 0.29 H new ATOM 0 HA THR B 25 -9.275 -10.871 3.074 1.00 0.35 H new ATOM 0 HB THR B 25 -6.860 -9.023 3.093 1.00 0.41 H new ATOM 0 HG1 THR B 25 -6.579 -11.054 1.959 1.00 0.45 H new ATOM 0 HG21 THR B 25 -6.401 -9.949 5.324 1.00 0.51 H new ATOM 0 HG22 THR B 25 -7.947 -9.068 5.280 1.00 0.51 H new ATOM 0 HG23 THR B 25 -7.936 -10.847 5.264 1.00 0.51 H new ATOM 1325 N LEU B 26 -9.435 -7.609 2.743 1.00 0.30 N ATOM 1326 CA LEU B 26 -10.152 -6.428 3.209 1.00 0.33 C ATOM 1327 C LEU B 26 -11.553 -6.379 2.614 1.00 0.32 C ATOM 1328 O LEU B 26 -12.436 -5.702 3.141 1.00 0.43 O ATOM 1329 CB LEU B 26 -9.415 -5.129 2.863 1.00 0.40 C ATOM 1330 CG LEU B 26 -7.924 -5.038 3.236 1.00 0.50 C ATOM 1331 CD1 LEU B 26 -7.525 -6.032 4.321 1.00 0.59 C ATOM 1332 CD2 LEU B 26 -7.062 -5.195 2.002 1.00 0.54 C ATOM 0 H LEU B 26 -8.829 -7.455 1.938 1.00 0.30 H new ATOM 0 HA LEU B 26 -10.213 -6.509 4.294 1.00 0.33 H new ATOM 0 HB2 LEU B 26 -9.504 -4.968 1.789 1.00 0.40 H new ATOM 0 HB3 LEU B 26 -9.935 -4.306 3.353 1.00 0.40 H new ATOM 0 HG LEU B 26 -7.757 -4.047 3.657 1.00 0.50 H new ATOM 0 HD11 LEU B 26 -6.463 -5.922 4.543 1.00 0.59 H new ATOM 0 HD12 LEU B 26 -8.106 -5.839 5.223 1.00 0.59 H new ATOM 0 HD13 LEU B 26 -7.720 -7.047 3.974 1.00 0.59 H new ATOM 0 HD21 LEU B 26 -6.011 -5.128 2.282 1.00 0.54 H new ATOM 0 HD22 LEU B 26 -7.255 -6.165 1.544 1.00 0.54 H new ATOM 0 HD23 LEU B 26 -7.299 -4.405 1.290 1.00 0.54 H new ATOM 1344 N GLY B 27 -11.748 -7.101 1.520 1.00 0.24 N ATOM 1345 CA GLY B 27 -13.034 -7.115 0.854 1.00 0.27 C ATOM 1346 C GLY B 27 -13.144 -6.027 -0.193 1.00 0.33 C ATOM 1347 O GLY B 27 -14.213 -5.794 -0.751 1.00 0.52 O ATOM 0 H GLY B 27 -11.034 -7.681 1.080 1.00 0.24 H new ATOM 0 HA2 GLY B 27 -13.188 -8.087 0.384 1.00 0.27 H new ATOM 0 HA3 GLY B 27 -13.826 -6.989 1.592 1.00 0.27 H new ATOM 1351 N ILE B 28 -12.028 -5.362 -0.453 1.00 0.32 N ATOM 1352 CA ILE B 28 -11.974 -4.311 -1.453 1.00 0.36 C ATOM 1353 C ILE B 28 -11.639 -4.902 -2.821 1.00 0.32 C ATOM 1354 O ILE B 28 -11.814 -6.099 -3.055 1.00 0.35 O ATOM 1355 CB ILE B 28 -10.915 -3.247 -1.089 1.00 0.42 C ATOM 1356 CG1 ILE B 28 -9.519 -3.859 -1.109 1.00 0.42 C ATOM 1357 CG2 ILE B 28 -11.218 -2.633 0.270 1.00 0.73 C ATOM 1358 CD1 ILE B 28 -8.427 -2.838 -0.953 1.00 0.50 C ATOM 0 H ILE B 28 -11.141 -5.535 0.021 1.00 0.32 H new ATOM 0 HA ILE B 28 -12.954 -3.834 -1.486 1.00 0.36 H new ATOM 0 HB ILE B 28 -10.951 -2.452 -1.834 1.00 0.42 H new ATOM 0 HG12 ILE B 28 -9.439 -4.594 -0.308 1.00 0.42 H new ATOM 0 HG13 ILE B 28 -9.377 -4.394 -2.048 1.00 0.42 H new ATOM 0 HG21 ILE B 28 -10.461 -1.886 0.509 1.00 0.73 H new ATOM 0 HG22 ILE B 28 -12.200 -2.160 0.245 1.00 0.73 H new ATOM 0 HG23 ILE B 28 -11.211 -3.413 1.031 1.00 0.73 H new ATOM 0 HD11 ILE B 28 -7.458 -3.336 -0.975 1.00 0.50 H new ATOM 0 HD12 ILE B 28 -8.484 -2.117 -1.769 1.00 0.50 H new ATOM 0 HD13 ILE B 28 -8.547 -2.319 -0.002 1.00 0.50 H new ATOM 1370 N ALA B 29 -11.122 -4.060 -3.701 1.00 0.30 N ATOM 1371 CA ALA B 29 -10.815 -4.443 -5.068 1.00 0.33 C ATOM 1372 C ALA B 29 -9.908 -3.407 -5.701 1.00 0.43 C ATOM 1373 O ALA B 29 -9.510 -2.445 -5.056 1.00 0.92 O ATOM 1374 CB ALA B 29 -12.093 -4.596 -5.884 1.00 0.36 C ATOM 0 H ALA B 29 -10.903 -3.087 -3.485 1.00 0.30 H new ATOM 0 HA ALA B 29 -10.302 -5.405 -5.054 1.00 0.33 H new ATOM 0 HB1 ALA B 29 -11.841 -4.883 -6.905 1.00 0.36 H new ATOM 0 HB2 ALA B 29 -12.721 -5.365 -5.435 1.00 0.36 H new ATOM 0 HB3 ALA B 29 -12.632 -3.649 -5.896 1.00 0.36 H new ATOM 1380 N GLU B 30 -9.601 -3.613 -6.965 1.00 0.31 N ATOM 1381 CA GLU B 30 -8.726 -2.725 -7.718 1.00 0.29 C ATOM 1382 C GLU B 30 -9.402 -1.384 -7.961 1.00 0.28 C ATOM 1383 O GLU B 30 -8.767 -0.333 -7.952 1.00 0.36 O ATOM 1384 CB GLU B 30 -8.379 -3.411 -9.042 1.00 0.36 C ATOM 1385 CG GLU B 30 -9.626 -3.878 -9.796 1.00 0.47 C ATOM 1386 CD GLU B 30 -9.374 -5.028 -10.750 1.00 0.78 C ATOM 1387 OE1 GLU B 30 -9.212 -6.172 -10.271 1.00 1.50 O ATOM 1388 OE2 GLU B 30 -9.369 -4.803 -11.980 1.00 1.44 O ATOM 0 H GLU B 30 -9.951 -4.404 -7.506 1.00 0.31 H new ATOM 0 HA GLU B 30 -7.815 -2.529 -7.153 1.00 0.29 H new ATOM 0 HB2 GLU B 30 -7.814 -2.721 -9.669 1.00 0.36 H new ATOM 0 HB3 GLU B 30 -7.733 -4.267 -8.847 1.00 0.36 H new ATOM 0 HG2 GLU B 30 -10.384 -4.179 -9.073 1.00 0.47 H new ATOM 0 HG3 GLU B 30 -10.035 -3.037 -10.356 1.00 0.47 H new ATOM 1395 N LYS B 31 -10.700 -1.431 -8.151 1.00 0.24 N ATOM 1396 CA LYS B 31 -11.484 -0.232 -8.374 1.00 0.25 C ATOM 1397 C LYS B 31 -11.748 0.468 -7.052 1.00 0.24 C ATOM 1398 O LYS B 31 -12.303 1.569 -7.014 1.00 0.28 O ATOM 1399 CB LYS B 31 -12.798 -0.603 -9.045 1.00 0.27 C ATOM 1400 CG LYS B 31 -12.630 -1.590 -10.187 1.00 0.30 C ATOM 1401 CD LYS B 31 -12.203 -0.921 -11.485 1.00 0.40 C ATOM 1402 CE LYS B 31 -10.745 -0.494 -11.454 1.00 0.37 C ATOM 1403 NZ LYS B 31 -10.315 0.101 -12.745 1.00 0.46 N ATOM 0 H LYS B 31 -11.243 -2.295 -8.156 1.00 0.24 H new ATOM 0 HA LYS B 31 -10.931 0.447 -9.023 1.00 0.25 H new ATOM 0 HB2 LYS B 31 -13.471 -1.030 -8.301 1.00 0.27 H new ATOM 0 HB3 LYS B 31 -13.274 0.302 -9.423 1.00 0.27 H new ATOM 0 HG2 LYS B 31 -11.889 -2.339 -9.908 1.00 0.30 H new ATOM 0 HG3 LYS B 31 -13.571 -2.117 -10.347 1.00 0.30 H new ATOM 0 HD2 LYS B 31 -12.362 -1.608 -12.316 1.00 0.40 H new ATOM 0 HD3 LYS B 31 -12.832 -0.050 -11.667 1.00 0.40 H new ATOM 0 HE2 LYS B 31 -10.596 0.230 -10.653 1.00 0.37 H new ATOM 0 HE3 LYS B 31 -10.119 -1.356 -11.225 1.00 0.37 H new ATOM 0 HZ1 LYS B 31 -9.315 0.379 -12.683 1.00 0.46 H new ATOM 0 HZ2 LYS B 31 -10.433 -0.598 -13.506 1.00 0.46 H new ATOM 0 HZ3 LYS B 31 -10.895 0.939 -12.951 1.00 0.46 H new ATOM 1417 N ASP B 32 -11.331 -0.178 -5.971 1.00 0.21 N ATOM 1418 CA ASP B 32 -11.551 0.342 -4.642 1.00 0.21 C ATOM 1419 C ASP B 32 -10.444 1.284 -4.231 1.00 0.22 C ATOM 1420 O ASP B 32 -9.364 1.293 -4.820 1.00 0.40 O ATOM 1421 CB ASP B 32 -11.717 -0.790 -3.630 1.00 0.21 C ATOM 1422 CG ASP B 32 -13.148 -1.275 -3.552 1.00 1.19 C ATOM 1423 OD1 ASP B 32 -13.933 -0.704 -2.770 1.00 1.85 O ATOM 1424 OD2 ASP B 32 -13.503 -2.219 -4.284 1.00 2.05 O ATOM 0 H ASP B 32 -10.836 -1.069 -5.997 1.00 0.21 H new ATOM 0 HA ASP B 32 -12.479 0.913 -4.659 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -11.067 -1.621 -3.905 1.00 0.21 H new ATOM 0 HB3 ASP B 32 -11.396 -0.447 -2.646 1.00 0.21 H new ATOM 1429 N ALA B 33 -10.735 2.105 -3.243 1.00 0.21 N ATOM 1430 CA ALA B 33 -9.770 3.060 -2.751 1.00 0.17 C ATOM 1431 C ALA B 33 -9.274 2.622 -1.385 1.00 0.15 C ATOM 1432 O ALA B 33 -9.958 1.894 -0.663 1.00 0.25 O ATOM 1433 CB ALA B 33 -10.377 4.458 -2.680 1.00 0.21 C ATOM 0 H ALA B 33 -11.636 2.128 -2.765 1.00 0.21 H new ATOM 0 HA ALA B 33 -8.927 3.098 -3.441 1.00 0.17 H new ATOM 0 HB1 ALA B 33 -9.631 5.160 -2.307 1.00 0.21 H new ATOM 0 HB2 ALA B 33 -10.699 4.766 -3.675 1.00 0.21 H new ATOM 0 HB3 ALA B 33 -11.235 4.448 -2.008 1.00 0.21 H new ATOM 1439 N LEU B 34 -8.096 3.073 -1.039 1.00 0.11 N ATOM 1440 CA LEU B 34 -7.479 2.739 0.221 1.00 0.12 C ATOM 1441 C LEU B 34 -7.015 4.017 0.868 1.00 0.12 C ATOM 1442 O LEU B 34 -6.343 4.819 0.232 1.00 0.14 O ATOM 1443 CB LEU B 34 -6.294 1.808 -0.013 1.00 0.14 C ATOM 1444 CG LEU B 34 -6.667 0.368 -0.352 1.00 0.15 C ATOM 1445 CD1 LEU B 34 -5.514 -0.324 -1.056 1.00 0.23 C ATOM 1446 CD2 LEU B 34 -7.026 -0.378 0.922 1.00 0.33 C ATOM 0 H LEU B 34 -7.533 3.687 -1.627 1.00 0.11 H new ATOM 0 HA LEU B 34 -8.192 2.229 0.869 1.00 0.12 H new ATOM 0 HB2 LEU B 34 -5.688 2.212 -0.824 1.00 0.14 H new ATOM 0 HB3 LEU B 34 -5.670 1.806 0.881 1.00 0.14 H new ATOM 0 HG LEU B 34 -7.528 0.371 -1.021 1.00 0.15 H new ATOM 0 HD11 LEU B 34 -5.795 -1.351 -1.292 1.00 0.23 H new ATOM 0 HD12 LEU B 34 -5.278 0.208 -1.978 1.00 0.23 H new ATOM 0 HD13 LEU B 34 -4.640 -0.327 -0.405 1.00 0.23 H new ATOM 0 HD21 LEU B 34 -7.292 -1.407 0.679 1.00 0.33 H new ATOM 0 HD22 LEU B 34 -6.171 -0.375 1.599 1.00 0.33 H new ATOM 0 HD23 LEU B 34 -7.872 0.111 1.404 1.00 0.33 H new ATOM 1458 N GLU B 35 -7.378 4.214 2.111 1.00 0.14 N ATOM 1459 CA GLU B 35 -7.016 5.404 2.818 1.00 0.16 C ATOM 1460 C GLU B 35 -5.676 5.182 3.483 1.00 0.13 C ATOM 1461 O GLU B 35 -5.569 4.524 4.520 1.00 0.14 O ATOM 1462 CB GLU B 35 -8.091 5.760 3.830 1.00 0.25 C ATOM 1463 CG GLU B 35 -8.019 7.202 4.267 1.00 0.33 C ATOM 1464 CD GLU B 35 -9.191 7.615 5.131 1.00 0.47 C ATOM 1465 OE1 GLU B 35 -10.334 7.620 4.632 1.00 1.01 O ATOM 1466 OE2 GLU B 35 -8.975 7.942 6.314 1.00 1.29 O ATOM 0 H GLU B 35 -7.931 3.552 2.655 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.932 6.243 2.128 1.00 0.16 H new ATOM 0 HB2 GLU B 35 -9.072 5.564 3.397 1.00 0.25 H new ATOM 0 HB3 GLU B 35 -7.992 5.114 4.702 1.00 0.25 H new ATOM 0 HG2 GLU B 35 -7.093 7.363 4.819 1.00 0.33 H new ATOM 0 HG3 GLU B 35 -7.981 7.842 3.386 1.00 0.33 H new ATOM 1473 N ILE B 36 -4.654 5.693 2.835 1.00 0.11 N ATOM 1474 CA ILE B 36 -3.289 5.426 3.235 1.00 0.09 C ATOM 1475 C ILE B 36 -2.756 6.448 4.243 1.00 0.10 C ATOM 1476 O ILE B 36 -2.968 7.658 4.119 1.00 0.12 O ATOM 1477 CB ILE B 36 -2.373 5.395 2.005 1.00 0.11 C ATOM 1478 CG1 ILE B 36 -2.807 4.289 1.046 1.00 0.10 C ATOM 1479 CG2 ILE B 36 -0.918 5.216 2.413 1.00 0.14 C ATOM 1480 CD1 ILE B 36 -3.353 4.814 -0.260 1.00 0.13 C ATOM 0 H ILE B 36 -4.743 6.301 2.021 1.00 0.11 H new ATOM 0 HA ILE B 36 -3.291 4.453 3.726 1.00 0.09 H new ATOM 0 HB ILE B 36 -2.460 6.352 1.490 1.00 0.11 H new ATOM 0 HG12 ILE B 36 -1.956 3.640 0.842 1.00 0.10 H new ATOM 0 HG13 ILE B 36 -3.567 3.675 1.530 1.00 0.10 H new ATOM 0 HG21 ILE B 36 -0.290 5.197 1.522 1.00 0.14 H new ATOM 0 HG22 ILE B 36 -0.615 6.044 3.053 1.00 0.14 H new ATOM 0 HG23 ILE B 36 -0.805 4.278 2.956 1.00 0.14 H new ATOM 0 HD11 ILE B 36 -3.643 3.977 -0.896 1.00 0.13 H new ATOM 0 HD12 ILE B 36 -4.224 5.440 -0.065 1.00 0.13 H new ATOM 0 HD13 ILE B 36 -2.587 5.404 -0.764 1.00 0.13 H new ATOM 1492 N TYR B 37 -2.048 5.923 5.228 1.00 0.11 N ATOM 1493 CA TYR B 37 -1.399 6.703 6.271 1.00 0.12 C ATOM 1494 C TYR B 37 0.048 6.240 6.379 1.00 0.11 C ATOM 1495 O TYR B 37 0.484 5.388 5.608 1.00 0.11 O ATOM 1496 CB TYR B 37 -2.055 6.488 7.638 1.00 0.16 C ATOM 1497 CG TYR B 37 -3.564 6.470 7.661 1.00 0.39 C ATOM 1498 CD1 TYR B 37 -4.289 7.649 7.728 1.00 1.12 C ATOM 1499 CD2 TYR B 37 -4.259 5.267 7.669 1.00 1.43 C ATOM 1500 CE1 TYR B 37 -5.667 7.633 7.786 1.00 1.19 C ATOM 1501 CE2 TYR B 37 -5.636 5.243 7.735 1.00 1.59 C ATOM 1502 CZ TYR B 37 -6.334 6.427 7.795 1.00 0.88 C ATOM 1503 OH TYR B 37 -7.705 6.408 7.875 1.00 1.13 O ATOM 0 H TYR B 37 -1.904 4.918 5.328 1.00 0.11 H new ATOM 0 HA TYR B 37 -1.480 7.757 6.006 1.00 0.12 H new ATOM 0 HB2 TYR B 37 -1.696 5.543 8.045 1.00 0.16 H new ATOM 0 HB3 TYR B 37 -1.712 7.275 8.309 1.00 0.16 H new ATOM 0 HD1 TYR B 37 -3.767 8.595 7.735 1.00 1.12 H new ATOM 0 HD2 TYR B 37 -3.712 4.337 7.623 1.00 1.43 H new ATOM 0 HE1 TYR B 37 -6.220 8.560 7.824 1.00 1.19 H new ATOM 0 HE2 TYR B 37 -6.163 4.301 7.740 1.00 1.59 H new ATOM 0 HH TYR B 37 -8.064 7.257 7.543 1.00 1.13 H new ATOM 1513 N VAL B 38 0.786 6.810 7.319 1.00 0.12 N ATOM 1514 CA VAL B 38 2.135 6.354 7.642 1.00 0.13 C ATOM 1515 C VAL B 38 2.405 6.517 9.136 1.00 0.14 C ATOM 1516 O VAL B 38 2.070 7.539 9.733 1.00 0.17 O ATOM 1517 CB VAL B 38 3.225 7.097 6.825 1.00 0.15 C ATOM 1518 CG1 VAL B 38 4.593 6.982 7.485 1.00 0.16 C ATOM 1519 CG2 VAL B 38 3.288 6.577 5.396 1.00 0.19 C ATOM 0 H VAL B 38 0.470 7.601 7.880 1.00 0.12 H new ATOM 0 HA VAL B 38 2.187 5.300 7.371 1.00 0.13 H new ATOM 0 HB VAL B 38 2.946 8.150 6.800 1.00 0.15 H new ATOM 0 HG11 VAL B 38 5.332 7.514 6.886 1.00 0.16 H new ATOM 0 HG12 VAL B 38 4.553 7.418 8.483 1.00 0.16 H new ATOM 0 HG13 VAL B 38 4.874 5.931 7.559 1.00 0.16 H new ATOM 0 HG21 VAL B 38 4.060 7.115 4.847 1.00 0.19 H new ATOM 0 HG22 VAL B 38 3.525 5.513 5.406 1.00 0.19 H new ATOM 0 HG23 VAL B 38 2.324 6.730 4.910 1.00 0.19 H new ATOM 1529 N ASP B 39 3.004 5.493 9.721 1.00 0.16 N ATOM 1530 CA ASP B 39 3.331 5.469 11.140 1.00 0.20 C ATOM 1531 C ASP B 39 4.829 5.380 11.310 1.00 0.24 C ATOM 1532 O ASP B 39 5.443 4.395 10.888 1.00 0.35 O ATOM 1533 CB ASP B 39 2.648 4.284 11.833 1.00 0.37 C ATOM 1534 CG ASP B 39 2.980 4.188 13.310 1.00 0.99 C ATOM 1535 OD1 ASP B 39 2.245 4.784 14.129 1.00 1.49 O ATOM 1536 OD2 ASP B 39 3.954 3.491 13.663 1.00 1.71 O ATOM 0 H ASP B 39 3.280 4.647 9.222 1.00 0.16 H new ATOM 0 HA ASP B 39 2.968 6.387 11.602 1.00 0.20 H new ATOM 0 HB2 ASP B 39 1.568 4.374 11.714 1.00 0.37 H new ATOM 0 HB3 ASP B 39 2.947 3.360 11.338 1.00 0.37 H new ATOM 1541 N ASP B 40 5.405 6.436 11.884 1.00 0.33 N ATOM 1542 CA ASP B 40 6.840 6.527 12.140 1.00 0.46 C ATOM 1543 C ASP B 40 7.607 6.668 10.836 1.00 0.51 C ATOM 1544 O ASP B 40 8.147 7.730 10.522 1.00 0.90 O ATOM 1545 CB ASP B 40 7.327 5.294 12.907 1.00 0.71 C ATOM 1546 CG ASP B 40 8.623 5.527 13.659 1.00 1.40 C ATOM 1547 OD1 ASP B 40 9.187 6.634 13.569 1.00 2.08 O ATOM 1548 OD2 ASP B 40 9.081 4.595 14.354 1.00 1.98 O ATOM 0 H ASP B 40 4.883 7.259 12.186 1.00 0.33 H new ATOM 0 HA ASP B 40 7.023 7.412 12.749 1.00 0.46 H new ATOM 0 HB2 ASP B 40 6.556 4.986 13.613 1.00 0.71 H new ATOM 0 HB3 ASP B 40 7.465 4.470 12.207 1.00 0.71 H new ATOM 1553 N GLU B 41 7.613 5.593 10.070 1.00 0.40 N ATOM 1554 CA GLU B 41 8.334 5.528 8.818 1.00 0.60 C ATOM 1555 C GLU B 41 7.758 4.426 7.935 1.00 0.45 C ATOM 1556 O GLU B 41 8.422 3.944 7.016 1.00 0.48 O ATOM 1557 CB GLU B 41 9.808 5.256 9.110 1.00 1.02 C ATOM 1558 CG GLU B 41 10.022 4.058 10.022 1.00 1.19 C ATOM 1559 CD GLU B 41 11.455 3.928 10.484 1.00 1.70 C ATOM 1560 OE1 GLU B 41 12.262 3.301 9.768 1.00 2.39 O ATOM 1561 OE2 GLU B 41 11.779 4.443 11.573 1.00 1.96 O ATOM 0 H GLU B 41 7.113 4.735 10.303 1.00 0.40 H new ATOM 0 HA GLU B 41 8.235 6.476 8.289 1.00 0.60 H new ATOM 0 HB2 GLU B 41 10.334 5.089 8.170 1.00 1.02 H new ATOM 0 HB3 GLU B 41 10.251 6.139 9.570 1.00 1.02 H new ATOM 0 HG2 GLU B 41 9.371 4.147 10.891 1.00 1.19 H new ATOM 0 HG3 GLU B 41 9.730 3.149 9.496 1.00 1.19 H new ATOM 1568 N LYS B 42 6.516 4.026 8.205 1.00 0.32 N ATOM 1569 CA LYS B 42 5.913 2.937 7.453 1.00 0.28 C ATOM 1570 C LYS B 42 4.504 3.267 7.006 1.00 0.20 C ATOM 1571 O LYS B 42 3.824 4.077 7.610 1.00 0.18 O ATOM 1572 CB LYS B 42 5.922 1.649 8.285 1.00 0.35 C ATOM 1573 CG LYS B 42 4.787 1.555 9.293 1.00 0.44 C ATOM 1574 CD LYS B 42 4.957 0.359 10.216 1.00 0.52 C ATOM 1575 CE LYS B 42 3.793 0.239 11.181 1.00 0.41 C ATOM 1576 NZ LYS B 42 4.090 -0.700 12.294 1.00 0.83 N ATOM 0 H LYS B 42 5.920 4.433 8.926 1.00 0.32 H new ATOM 0 HA LYS B 42 6.512 2.788 6.555 1.00 0.28 H new ATOM 0 HB2 LYS B 42 5.868 0.794 7.612 1.00 0.35 H new ATOM 0 HB3 LYS B 42 6.872 1.578 8.815 1.00 0.35 H new ATOM 0 HG2 LYS B 42 4.748 2.470 9.885 1.00 0.44 H new ATOM 0 HG3 LYS B 42 3.836 1.476 8.765 1.00 0.44 H new ATOM 0 HD2 LYS B 42 5.036 -0.552 9.623 1.00 0.52 H new ATOM 0 HD3 LYS B 42 5.887 0.458 10.775 1.00 0.52 H new ATOM 0 HE2 LYS B 42 3.557 1.222 11.589 1.00 0.41 H new ATOM 0 HE3 LYS B 42 2.909 -0.104 10.643 1.00 0.41 H new ATOM 0 HZ1 LYS B 42 3.270 -0.754 12.931 1.00 0.83 H new ATOM 0 HZ2 LYS B 42 4.291 -1.644 11.907 1.00 0.83 H new ATOM 0 HZ3 LYS B 42 4.918 -0.360 12.824 1.00 0.83 H new ATOM 1590 N ILE B 43 4.072 2.590 5.963 1.00 0.16 N ATOM 1591 CA ILE B 43 2.834 2.904 5.275 1.00 0.13 C ATOM 1592 C ILE B 43 1.668 2.084 5.824 1.00 0.12 C ATOM 1593 O ILE B 43 1.812 0.901 6.125 1.00 0.13 O ATOM 1594 CB ILE B 43 3.003 2.626 3.772 1.00 0.12 C ATOM 1595 CG1 ILE B 43 4.265 3.308 3.243 1.00 0.20 C ATOM 1596 CG2 ILE B 43 1.786 3.087 3.001 1.00 0.12 C ATOM 1597 CD1 ILE B 43 4.760 2.721 1.942 1.00 0.47 C ATOM 0 H ILE B 43 4.575 1.797 5.563 1.00 0.16 H new ATOM 0 HA ILE B 43 2.608 3.958 5.437 1.00 0.13 H new ATOM 0 HB ILE B 43 3.106 1.550 3.631 1.00 0.12 H new ATOM 0 HG12 ILE B 43 4.064 4.370 3.101 1.00 0.20 H new ATOM 0 HG13 ILE B 43 5.053 3.230 3.992 1.00 0.20 H new ATOM 0 HG21 ILE B 43 1.928 2.880 1.940 1.00 0.12 H new ATOM 0 HG22 ILE B 43 0.905 2.555 3.360 1.00 0.12 H new ATOM 0 HG23 ILE B 43 1.647 4.158 3.147 1.00 0.12 H new ATOM 0 HD11 ILE B 43 5.658 3.250 1.622 1.00 0.47 H new ATOM 0 HD12 ILE B 43 4.992 1.666 2.084 1.00 0.47 H new ATOM 0 HD13 ILE B 43 3.988 2.823 1.180 1.00 0.47 H new ATOM 1609 N ILE B 44 0.519 2.728 5.966 1.00 0.12 N ATOM 1610 CA ILE B 44 -0.665 2.090 6.530 1.00 0.13 C ATOM 1611 C ILE B 44 -1.827 2.198 5.552 1.00 0.12 C ATOM 1612 O ILE B 44 -2.415 3.263 5.403 1.00 0.12 O ATOM 1613 CB ILE B 44 -1.110 2.742 7.865 1.00 0.14 C ATOM 1614 CG1 ILE B 44 -0.001 3.606 8.479 1.00 0.14 C ATOM 1615 CG2 ILE B 44 -1.553 1.675 8.847 1.00 0.18 C ATOM 1616 CD1 ILE B 44 1.195 2.835 8.993 1.00 0.15 C ATOM 0 H ILE B 44 0.380 3.702 5.696 1.00 0.12 H new ATOM 0 HA ILE B 44 -0.398 1.050 6.718 1.00 0.13 H new ATOM 0 HB ILE B 44 -1.951 3.399 7.646 1.00 0.14 H new ATOM 0 HG12 ILE B 44 0.340 4.320 7.730 1.00 0.14 H new ATOM 0 HG13 ILE B 44 -0.423 4.184 9.301 1.00 0.14 H new ATOM 0 HG21 ILE B 44 -1.863 2.145 9.780 1.00 0.18 H new ATOM 0 HG22 ILE B 44 -2.390 1.118 8.426 1.00 0.18 H new ATOM 0 HG23 ILE B 44 -0.725 0.993 9.042 1.00 0.18 H new ATOM 0 HD11 ILE B 44 1.925 3.530 9.408 1.00 0.15 H new ATOM 0 HD12 ILE B 44 0.874 2.140 9.769 1.00 0.15 H new ATOM 0 HD13 ILE B 44 1.649 2.279 8.173 1.00 0.15 H new ATOM 1628 N LEU B 45 -2.154 1.113 4.878 1.00 0.13 N ATOM 1629 CA LEU B 45 -3.269 1.124 3.945 1.00 0.12 C ATOM 1630 C LEU B 45 -4.536 0.634 4.620 1.00 0.12 C ATOM 1631 O LEU B 45 -4.675 -0.546 4.929 1.00 0.12 O ATOM 1632 CB LEU B 45 -2.986 0.254 2.714 1.00 0.12 C ATOM 1633 CG LEU B 45 -2.272 0.953 1.558 1.00 0.11 C ATOM 1634 CD1 LEU B 45 -0.883 1.403 1.973 1.00 0.12 C ATOM 1635 CD2 LEU B 45 -2.195 0.035 0.349 1.00 0.12 C ATOM 0 H LEU B 45 -1.670 0.219 4.956 1.00 0.13 H new ATOM 0 HA LEU B 45 -3.402 2.155 3.619 1.00 0.12 H new ATOM 0 HB2 LEU B 45 -2.384 -0.599 3.026 1.00 0.12 H new ATOM 0 HB3 LEU B 45 -3.933 -0.141 2.346 1.00 0.12 H new ATOM 0 HG LEU B 45 -2.848 1.838 1.287 1.00 0.11 H new ATOM 0 HD11 LEU B 45 -0.395 1.898 1.133 1.00 0.12 H new ATOM 0 HD12 LEU B 45 -0.960 2.098 2.809 1.00 0.12 H new ATOM 0 HD13 LEU B 45 -0.295 0.536 2.275 1.00 0.12 H new ATOM 0 HD21 LEU B 45 -1.684 0.548 -0.465 1.00 0.12 H new ATOM 0 HD22 LEU B 45 -1.644 -0.868 0.612 1.00 0.12 H new ATOM 0 HD23 LEU B 45 -3.202 -0.235 0.032 1.00 0.12 H new ATOM 1647 N LYS B 46 -5.448 1.543 4.862 1.00 0.15 N ATOM 1648 CA LYS B 46 -6.768 1.180 5.327 1.00 0.18 C ATOM 1649 C LYS B 46 -7.697 1.246 4.142 1.00 0.20 C ATOM 1650 O LYS B 46 -7.389 1.901 3.164 1.00 0.44 O ATOM 1651 CB LYS B 46 -7.229 2.147 6.417 1.00 0.30 C ATOM 1652 CG LYS B 46 -8.500 1.716 7.130 1.00 0.93 C ATOM 1653 CD LYS B 46 -9.018 2.814 8.037 1.00 1.04 C ATOM 1654 CE LYS B 46 -9.648 3.940 7.235 1.00 1.68 C ATOM 1655 NZ LYS B 46 -10.064 5.072 8.100 1.00 1.98 N ATOM 0 H LYS B 46 -5.301 2.546 4.745 1.00 0.15 H new ATOM 0 HA LYS B 46 -6.763 0.177 5.754 1.00 0.18 H new ATOM 0 HB2 LYS B 46 -6.432 2.256 7.152 1.00 0.30 H new ATOM 0 HB3 LYS B 46 -7.389 3.129 5.973 1.00 0.30 H new ATOM 0 HG2 LYS B 46 -9.263 1.457 6.395 1.00 0.93 H new ATOM 0 HG3 LYS B 46 -8.305 0.818 7.716 1.00 0.93 H new ATOM 0 HD2 LYS B 46 -9.753 2.401 8.728 1.00 1.04 H new ATOM 0 HD3 LYS B 46 -8.199 3.207 8.640 1.00 1.04 H new ATOM 0 HE2 LYS B 46 -8.937 4.296 6.489 1.00 1.68 H new ATOM 0 HE3 LYS B 46 -10.514 3.559 6.694 1.00 1.68 H new ATOM 0 HZ1 LYS B 46 -10.831 5.600 7.636 1.00 1.98 H new ATOM 0 HZ2 LYS B 46 -10.399 4.706 9.014 1.00 1.98 H new ATOM 0 HZ3 LYS B 46 -9.254 5.705 8.257 1.00 1.98 H new ATOM 1669 N LYS B 47 -8.798 0.544 4.197 1.00 0.18 N ATOM 1670 CA LYS B 47 -9.815 0.689 3.170 1.00 0.22 C ATOM 1671 C LYS B 47 -10.391 2.089 3.254 1.00 0.23 C ATOM 1672 O LYS B 47 -10.420 2.689 4.332 1.00 0.32 O ATOM 1673 CB LYS B 47 -10.928 -0.344 3.363 1.00 0.38 C ATOM 1674 CG LYS B 47 -11.593 -0.260 4.724 1.00 0.54 C ATOM 1675 CD LYS B 47 -12.600 -1.373 4.924 1.00 0.88 C ATOM 1676 CE LYS B 47 -11.910 -2.721 5.097 1.00 1.63 C ATOM 1677 NZ LYS B 47 -12.863 -3.786 5.509 1.00 2.20 N ATOM 0 H LYS B 47 -9.019 -0.129 4.931 1.00 0.18 H new ATOM 0 HA LYS B 47 -9.366 0.525 2.190 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -11.682 -0.205 2.588 1.00 0.38 H new ATOM 0 HB3 LYS B 47 -10.514 -1.343 3.229 1.00 0.38 H new ATOM 0 HG2 LYS B 47 -10.833 -0.312 5.504 1.00 0.54 H new ATOM 0 HG3 LYS B 47 -12.091 0.704 4.827 1.00 0.54 H new ATOM 0 HD2 LYS B 47 -13.211 -1.160 5.801 1.00 0.88 H new ATOM 0 HD3 LYS B 47 -13.274 -1.414 4.068 1.00 0.88 H new ATOM 0 HE2 LYS B 47 -11.431 -3.006 4.160 1.00 1.63 H new ATOM 0 HE3 LYS B 47 -11.121 -2.631 5.844 1.00 1.63 H new ATOM 0 HZ1 LYS B 47 -12.579 -4.167 6.434 1.00 2.20 H new ATOM 0 HZ2 LYS B 47 -13.821 -3.387 5.578 1.00 2.20 H new ATOM 0 HZ3 LYS B 47 -12.856 -4.550 4.803 1.00 2.20 H new ATOM 1691 N TYR B 48 -10.813 2.631 2.127 1.00 0.23 N ATOM 1692 CA TYR B 48 -11.434 3.934 2.134 1.00 0.31 C ATOM 1693 C TYR B 48 -12.715 3.869 2.954 1.00 0.50 C ATOM 1694 O TYR B 48 -13.394 2.840 2.966 1.00 0.60 O ATOM 1695 CB TYR B 48 -11.719 4.403 0.703 1.00 0.27 C ATOM 1696 CG TYR B 48 -12.990 3.839 0.092 1.00 0.85 C ATOM 1697 CD1 TYR B 48 -13.044 2.539 -0.398 1.00 1.77 C ATOM 1698 CD2 TYR B 48 -14.141 4.617 0.010 1.00 1.70 C ATOM 1699 CE1 TYR B 48 -14.205 2.033 -0.953 1.00 2.45 C ATOM 1700 CE2 TYR B 48 -15.303 4.117 -0.543 1.00 2.36 C ATOM 1701 CZ TYR B 48 -15.332 2.825 -1.020 1.00 2.50 C ATOM 1702 OH TYR B 48 -16.492 2.326 -1.569 1.00 3.32 O ATOM 0 H TYR B 48 -10.737 2.193 1.209 1.00 0.23 H new ATOM 0 HA TYR B 48 -10.757 4.658 2.587 1.00 0.31 H new ATOM 0 HB2 TYR B 48 -11.781 5.491 0.697 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -10.875 4.129 0.070 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -12.165 1.914 -0.344 1.00 1.77 H new ATOM 0 HD2 TYR B 48 -14.125 5.629 0.385 1.00 1.70 H new ATOM 0 HE1 TYR B 48 -14.229 1.022 -1.332 1.00 2.45 H new ATOM 0 HE2 TYR B 48 -16.186 4.736 -0.601 1.00 2.36 H new ATOM 0 HH TYR B 48 -17.190 3.013 -1.538 1.00 3.32 H new