USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 765 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 92:sc= 1.14 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -4.43! USER MOD Single : A 44 LYS NZ :NH3+ 143:sc= -1.8 (180deg=-3.33!) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 0.334 (180deg=-0.522!) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.064 (180deg=-0.89) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 THR OG1 : rot 92:sc= 1.11 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 151:sc= -4.34! USER MOD Single : B 44 LYS NZ :NH3+ 144:sc= -1.53 (180deg=-2.73!) USER MOD Single : B 48 LYS NZ :NH3+ 155:sc= 0.305 (180deg=-0.553!) USER MOD Single : B 49 LYS NZ :NH3+ -157:sc= -0.0573 (180deg=-0.816) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N ILE A 8 -4.722 -15.300 30.947 1.00 0.37 N ATOM 93 CA ILE A 8 -6.063 -14.993 31.533 1.00 0.37 C ATOM 94 C ILE A 8 -6.813 -14.010 30.633 1.00 0.32 C ATOM 95 O ILE A 8 -6.247 -13.065 30.136 1.00 0.30 O ATOM 96 CB ILE A 8 -5.771 -14.352 32.887 1.00 0.40 C ATOM 97 CG1 ILE A 8 -4.827 -15.252 33.688 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.079 -14.175 33.661 1.00 0.43 C ATOM 99 CD1 ILE A 8 -5.365 -16.684 33.692 1.00 1.36 C ATOM 0 HA ILE A 8 -6.684 -15.884 31.630 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.303 -13.380 32.732 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -3.828 -15.229 33.251 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.737 -14.884 34.710 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -6.870 -13.717 34.628 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -7.753 -13.534 33.094 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.546 -15.148 33.813 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.692 -17.324 34.263 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -6.355 -16.700 34.149 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.432 -17.050 32.668 1.00 1.36 H new ATOM 111 N VAL A 9 -8.057 -14.269 30.357 1.00 0.32 N ATOM 112 CA VAL A 9 -8.804 -13.387 29.410 1.00 0.29 C ATOM 113 C VAL A 9 -9.963 -12.682 30.121 1.00 0.32 C ATOM 114 O VAL A 9 -10.621 -13.244 30.973 1.00 0.37 O ATOM 115 CB VAL A 9 -9.326 -14.320 28.318 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.170 -13.523 27.322 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.139 -14.955 27.582 1.00 0.30 C ATOM 0 H VAL A 9 -8.591 -15.048 30.742 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.169 -12.601 29.003 1.00 0.29 H new ATOM 0 HB VAL A 9 -9.938 -15.100 28.770 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.541 -14.190 26.544 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.013 -13.067 27.842 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.558 -12.743 26.869 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.508 -15.621 26.802 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.529 -14.172 27.131 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.535 -15.524 28.289 1.00 0.30 H new ATOM 127 N ARG A 10 -10.229 -11.457 29.751 1.00 0.31 N ATOM 128 CA ARG A 10 -11.359 -10.708 30.373 1.00 0.36 C ATOM 129 C ARG A 10 -12.267 -10.138 29.280 1.00 0.31 C ATOM 130 O ARG A 10 -11.853 -9.953 28.155 1.00 0.27 O ATOM 131 CB ARG A 10 -10.697 -9.581 31.169 1.00 0.40 C ATOM 132 CG ARG A 10 -11.767 -8.790 31.922 1.00 0.73 C ATOM 133 CD ARG A 10 -12.301 -9.629 33.086 1.00 0.86 C ATOM 134 NE ARG A 10 -13.364 -8.790 33.708 1.00 1.13 N ATOM 135 CZ ARG A 10 -13.751 -9.023 34.934 1.00 1.36 C ATOM 136 NH1 ARG A 10 -13.214 -9.996 35.619 1.00 1.61 N ATOM 137 NH2 ARG A 10 -14.678 -8.281 35.474 1.00 1.91 N ATOM 0 H ARG A 10 -9.709 -10.941 29.041 1.00 0.31 H new ATOM 0 HA ARG A 10 -11.980 -11.339 31.008 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -9.974 -9.994 31.872 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.148 -8.921 30.497 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -11.348 -7.856 32.296 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.581 -8.526 31.247 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -12.703 -10.580 32.736 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.511 -9.860 33.801 1.00 0.86 H new ATOM 0 HE ARG A 10 -13.791 -8.032 33.175 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -12.490 -10.577 35.197 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -13.519 -10.175 36.576 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -15.099 -7.521 34.939 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -14.982 -8.461 36.431 1.00 1.91 H new ATOM 151 N LYS A 11 -13.501 -9.863 29.598 1.00 0.32 N ATOM 152 CA LYS A 11 -14.429 -9.313 28.568 1.00 0.29 C ATOM 153 C LYS A 11 -14.247 -7.798 28.442 1.00 0.26 C ATOM 154 O LYS A 11 -14.015 -7.107 29.414 1.00 0.27 O ATOM 155 CB LYS A 11 -15.832 -9.643 29.075 1.00 0.33 C ATOM 156 CG LYS A 11 -16.861 -9.300 27.996 1.00 1.02 C ATOM 157 CD LYS A 11 -18.258 -9.701 28.477 1.00 1.03 C ATOM 158 CE LYS A 11 -18.676 -8.801 29.642 1.00 1.81 C ATOM 159 NZ LYS A 11 -20.157 -8.688 29.528 1.00 2.21 N ATOM 0 H LYS A 11 -13.908 -9.995 30.524 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.243 -9.738 27.582 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -15.898 -10.700 29.331 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.043 -9.081 29.985 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -16.833 -8.233 27.777 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -16.620 -9.822 27.070 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -18.974 -9.613 27.660 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.260 -10.745 28.791 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -18.385 -9.234 30.599 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -18.199 -7.823 29.576 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -20.519 -8.085 30.294 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -20.403 -8.267 28.610 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -20.584 -9.634 29.601 1.00 2.21 H new ATOM 173 N VAL A 12 -14.384 -7.275 27.255 1.00 0.22 N ATOM 174 CA VAL A 12 -14.256 -5.799 27.070 1.00 0.21 C ATOM 175 C VAL A 12 -15.565 -5.113 27.464 1.00 0.20 C ATOM 176 O VAL A 12 -16.624 -5.479 27.001 1.00 0.20 O ATOM 177 CB VAL A 12 -13.991 -5.600 25.576 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.457 -4.187 25.336 1.00 0.28 C ATOM 179 CG2 VAL A 12 -12.967 -6.624 25.087 1.00 0.28 C ATOM 0 H VAL A 12 -14.579 -7.804 26.405 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.462 -5.375 27.685 1.00 0.21 H new ATOM 0 HB VAL A 12 -14.922 -5.736 25.026 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.268 -4.045 24.272 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.193 -3.458 25.674 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.529 -4.050 25.891 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.784 -6.476 24.023 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.034 -6.497 25.637 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.351 -7.630 25.252 1.00 0.28 H new ATOM 189 N ASP A 13 -15.503 -4.119 28.305 1.00 0.20 N ATOM 190 CA ASP A 13 -16.756 -3.420 28.709 1.00 0.21 C ATOM 191 C ASP A 13 -17.126 -2.359 27.664 1.00 0.22 C ATOM 192 O ASP A 13 -16.565 -2.312 26.588 1.00 0.22 O ATOM 193 CB ASP A 13 -16.451 -2.796 30.077 1.00 0.21 C ATOM 194 CG ASP A 13 -15.889 -1.384 29.909 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.701 -1.259 29.680 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.662 -0.447 30.005 1.00 0.55 O ATOM 0 H ASP A 13 -14.646 -3.762 28.728 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.611 -4.094 28.774 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.359 -2.763 30.679 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.735 -3.417 30.615 1.00 0.21 H new ATOM 201 N GLU A 14 -18.146 -1.592 27.925 1.00 0.23 N ATOM 202 CA GLU A 14 -18.652 -0.641 26.892 1.00 0.26 C ATOM 203 C GLU A 14 -17.539 0.283 26.376 1.00 0.26 C ATOM 204 O GLU A 14 -17.532 0.659 25.221 1.00 0.29 O ATOM 205 CB GLU A 14 -19.733 0.171 27.603 1.00 0.28 C ATOM 206 CG GLU A 14 -20.434 1.085 26.594 1.00 1.22 C ATOM 207 CD GLU A 14 -21.450 1.966 27.323 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.543 1.853 28.535 1.00 2.19 O ATOM 209 OE2 GLU A 14 -22.118 2.740 26.657 1.00 1.99 O ATOM 0 H GLU A 14 -18.653 -1.581 28.810 1.00 0.23 H new ATOM 0 HA GLU A 14 -19.031 -1.169 26.017 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -20.457 -0.497 28.068 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.289 0.766 28.401 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -19.701 1.706 26.080 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.935 0.487 25.833 1.00 1.22 H new ATOM 216 N LEU A 15 -16.685 0.759 27.238 1.00 0.23 N ATOM 217 CA LEU A 15 -15.688 1.783 26.796 1.00 0.24 C ATOM 218 C LEU A 15 -14.441 1.131 26.187 1.00 0.22 C ATOM 219 O LEU A 15 -13.539 1.812 25.741 1.00 0.24 O ATOM 220 CB LEU A 15 -15.317 2.558 28.059 1.00 0.28 C ATOM 221 CG LEU A 15 -14.189 3.539 27.734 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.539 4.321 26.465 1.00 1.28 C ATOM 223 CD2 LEU A 15 -14.015 4.516 28.898 1.00 1.38 C ATOM 0 H LEU A 15 -16.631 0.489 28.220 1.00 0.23 H new ATOM 0 HA LEU A 15 -16.104 2.427 26.021 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -16.186 3.097 28.438 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -15.002 1.870 28.843 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.263 2.987 27.577 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.735 5.020 26.235 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.667 3.627 25.634 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.465 4.873 26.622 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -13.212 5.216 28.668 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.943 5.067 29.053 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.766 3.963 29.804 1.00 1.38 H new ATOM 235 N GLY A 16 -14.349 -0.169 26.198 1.00 0.21 N ATOM 236 CA GLY A 16 -13.119 -0.814 25.657 1.00 0.19 C ATOM 237 C GLY A 16 -12.006 -0.765 26.708 1.00 0.20 C ATOM 238 O GLY A 16 -10.884 -0.381 26.427 1.00 0.20 O ATOM 0 H GLY A 16 -15.062 -0.807 26.553 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.329 -1.848 25.384 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.798 -0.303 24.749 1.00 0.19 H new ATOM 242 N ARG A 17 -12.314 -1.104 27.929 1.00 0.24 N ATOM 243 CA ARG A 17 -11.287 -1.037 29.002 1.00 0.26 C ATOM 244 C ARG A 17 -11.012 -2.442 29.546 1.00 0.26 C ATOM 245 O ARG A 17 -11.839 -3.327 29.452 1.00 0.26 O ATOM 246 CB ARG A 17 -11.903 -0.147 30.082 1.00 0.28 C ATOM 247 CG ARG A 17 -12.084 1.268 29.529 1.00 0.28 C ATOM 248 CD ARG A 17 -12.658 2.178 30.617 1.00 0.29 C ATOM 249 NE ARG A 17 -14.051 1.698 30.823 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.917 2.452 31.451 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.549 3.609 31.933 1.00 0.73 N ATOM 252 NH2 ARG A 17 -16.150 2.053 31.599 1.00 1.15 N ATOM 0 H ARG A 17 -13.235 -1.425 28.229 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.335 -0.641 28.648 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.864 -0.552 30.398 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.261 -0.126 30.962 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -11.127 1.658 29.182 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.752 1.249 28.668 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -12.077 2.109 31.536 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.642 3.223 30.307 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.331 0.781 30.475 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.586 3.926 31.820 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.225 4.196 32.422 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.442 1.150 31.225 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.822 2.644 32.089 1.00 1.15 H new ATOM 266 N VAL A 18 -9.849 -2.660 30.091 1.00 0.26 N ATOM 267 CA VAL A 18 -9.512 -4.015 30.614 1.00 0.25 C ATOM 268 C VAL A 18 -9.101 -3.921 32.083 1.00 0.24 C ATOM 269 O VAL A 18 -8.668 -2.885 32.549 1.00 0.24 O ATOM 270 CB VAL A 18 -8.339 -4.491 29.757 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.746 -4.478 28.283 1.00 0.28 C ATOM 272 CG2 VAL A 18 -7.145 -3.555 29.963 1.00 0.26 C ATOM 0 H VAL A 18 -9.116 -1.959 30.198 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.357 -4.702 30.562 1.00 0.25 H new ATOM 0 HB VAL A 18 -8.063 -5.504 30.049 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.910 -4.817 27.672 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.597 -5.143 28.135 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -9.022 -3.465 27.991 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.308 -3.893 29.352 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.422 -2.542 29.670 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.854 -3.562 31.013 1.00 0.26 H new ATOM 282 N VAL A 19 -9.304 -4.968 32.834 1.00 0.22 N ATOM 283 CA VAL A 19 -9.006 -4.902 34.292 1.00 0.21 C ATOM 284 C VAL A 19 -7.843 -5.829 34.645 1.00 0.22 C ATOM 285 O VAL A 19 -7.835 -6.991 34.291 1.00 0.23 O ATOM 286 CB VAL A 19 -10.288 -5.375 34.974 1.00 0.22 C ATOM 287 CG1 VAL A 19 -10.177 -5.162 36.485 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.477 -4.581 34.431 1.00 0.24 C ATOM 0 H VAL A 19 -9.662 -5.864 32.502 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.715 -3.900 34.606 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.435 -6.436 34.770 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -11.093 -5.501 36.968 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -9.331 -5.731 36.871 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -10.027 -4.103 36.693 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.392 -4.918 34.917 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.329 -3.520 34.633 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.559 -4.738 33.355 1.00 0.24 H new ATOM 298 N ILE A 20 -6.905 -5.350 35.417 1.00 0.22 N ATOM 299 CA ILE A 20 -5.802 -6.236 35.879 1.00 0.24 C ATOM 300 C ILE A 20 -6.243 -6.995 37.136 1.00 0.24 C ATOM 301 O ILE A 20 -6.812 -6.416 38.034 1.00 0.23 O ATOM 302 CB ILE A 20 -4.644 -5.279 36.186 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.864 -5.001 34.899 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.705 -5.899 37.225 1.00 0.24 C ATOM 305 CD1 ILE A 20 -3.405 -6.324 34.282 1.00 1.38 C ATOM 0 H ILE A 20 -6.856 -4.386 35.746 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.518 -6.988 35.143 1.00 0.24 H new ATOM 0 HB ILE A 20 -5.048 -4.348 36.585 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -4.490 -4.456 34.192 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -3.002 -4.369 35.113 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.887 -5.209 37.434 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -4.258 -6.095 38.144 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -3.301 -6.834 36.838 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -2.850 -6.125 33.365 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -2.763 -6.851 34.988 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -4.275 -6.940 34.053 1.00 1.38 H new ATOM 317 N PRO A 21 -5.907 -8.255 37.185 1.00 0.28 N ATOM 318 CA PRO A 21 -6.212 -9.074 38.385 1.00 0.30 C ATOM 319 C PRO A 21 -5.528 -8.473 39.616 1.00 0.28 C ATOM 320 O PRO A 21 -4.435 -7.954 39.538 1.00 0.27 O ATOM 321 CB PRO A 21 -5.638 -10.454 38.057 1.00 0.35 C ATOM 322 CG PRO A 21 -4.753 -10.260 36.864 1.00 0.35 C ATOM 323 CD PRO A 21 -5.222 -9.023 36.147 1.00 0.32 C ATOM 0 HA PRO A 21 -7.277 -9.118 38.612 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -5.074 -10.853 38.900 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.434 -11.166 37.841 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.713 -10.153 37.172 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.803 -11.127 36.205 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.387 -8.466 35.723 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.892 -9.268 35.323 1.00 0.32 H new ATOM 331 N ILE A 22 -6.171 -8.517 40.751 1.00 0.30 N ATOM 332 CA ILE A 22 -5.560 -7.916 41.973 1.00 0.30 C ATOM 333 C ILE A 22 -4.176 -8.509 42.225 1.00 0.32 C ATOM 334 O ILE A 22 -3.287 -7.843 42.715 1.00 0.32 O ATOM 335 CB ILE A 22 -6.515 -8.275 43.112 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.152 -7.464 44.358 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.398 -9.767 43.424 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.403 -5.979 44.095 1.00 1.11 C ATOM 0 H ILE A 22 -7.089 -8.941 40.886 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.426 -6.838 41.877 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.538 -8.045 42.814 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.747 -7.799 45.208 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -5.106 -7.626 44.617 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -7.079 -10.023 44.236 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.657 -10.346 42.537 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.375 -9.997 43.722 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -6.144 -5.403 44.984 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.789 -5.649 43.257 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.455 -5.824 43.857 1.00 1.11 H new ATOM 350 N GLU A 23 -3.977 -9.747 41.880 1.00 0.36 N ATOM 351 CA GLU A 23 -2.636 -10.361 42.091 1.00 0.40 C ATOM 352 C GLU A 23 -1.570 -9.556 41.342 1.00 0.37 C ATOM 353 O GLU A 23 -0.464 -9.374 41.811 1.00 0.39 O ATOM 354 CB GLU A 23 -2.752 -11.769 41.503 1.00 0.44 C ATOM 355 CG GLU A 23 -1.464 -12.547 41.782 1.00 1.22 C ATOM 356 CD GLU A 23 -1.355 -12.833 43.280 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.385 -12.864 43.934 1.00 2.01 O ATOM 358 OE2 GLU A 23 -0.244 -13.017 43.749 1.00 2.37 O ATOM 0 H GLU A 23 -4.678 -10.359 41.463 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.346 -10.379 43.142 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -3.605 -12.288 41.940 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -2.930 -11.713 40.429 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -1.463 -13.482 41.221 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -0.600 -11.973 41.447 1.00 1.22 H new ATOM 365 N LEU A 24 -1.914 -9.039 40.195 1.00 0.34 N ATOM 366 CA LEU A 24 -0.946 -8.214 39.421 1.00 0.33 C ATOM 367 C LEU A 24 -0.925 -6.778 39.943 1.00 0.29 C ATOM 368 O LEU A 24 0.102 -6.133 39.950 1.00 0.29 O ATOM 369 CB LEU A 24 -1.445 -8.258 37.978 1.00 0.33 C ATOM 370 CG LEU A 24 -1.388 -9.697 37.461 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.770 -9.725 35.980 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.033 -10.240 37.628 1.00 1.75 C ATOM 0 H LEU A 24 -2.829 -9.153 39.759 1.00 0.34 H new ATOM 0 HA LEU A 24 0.073 -8.591 39.509 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.466 -7.881 37.924 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.833 -7.610 37.350 1.00 0.33 H new ATOM 0 HG LEU A 24 -2.086 -10.314 38.028 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.729 -10.751 35.613 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.781 -9.336 35.858 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -1.073 -9.108 35.413 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.076 -11.265 37.260 1.00 1.75 H new ATOM 0 HD22 LEU A 24 0.728 -9.621 37.060 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.308 -10.221 38.682 1.00 1.75 H new ATOM 384 N ARG A 25 -2.023 -6.296 40.457 1.00 0.25 N ATOM 385 CA ARG A 25 -2.006 -4.931 41.054 1.00 0.23 C ATOM 386 C ARG A 25 -0.956 -4.883 42.163 1.00 0.25 C ATOM 387 O ARG A 25 -0.222 -3.925 42.297 1.00 0.25 O ATOM 388 CB ARG A 25 -3.401 -4.707 41.649 1.00 0.22 C ATOM 389 CG ARG A 25 -4.473 -4.773 40.560 1.00 0.21 C ATOM 390 CD ARG A 25 -5.823 -4.354 41.159 1.00 0.22 C ATOM 391 NE ARG A 25 -6.850 -4.903 40.238 1.00 0.23 N ATOM 392 CZ ARG A 25 -8.082 -5.054 40.643 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.424 -4.701 41.854 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.976 -5.555 39.836 1.00 0.27 N ATOM 0 H ARG A 25 -2.920 -6.781 40.490 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.764 -4.167 40.316 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.602 -5.461 42.410 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.439 -3.737 42.144 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.209 -4.116 39.732 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.538 -5.784 40.157 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.946 -4.751 42.167 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.901 -3.269 41.232 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.592 -5.163 39.286 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.728 -4.306 42.486 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.387 -4.820 42.167 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.712 -5.828 38.889 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.939 -5.673 40.152 1.00 0.27 H new ATOM 408 N ARG A 26 -0.914 -5.894 42.985 1.00 0.29 N ATOM 409 CA ARG A 26 0.054 -5.888 44.121 1.00 0.33 C ATOM 410 C ARG A 26 1.483 -6.117 43.617 1.00 0.35 C ATOM 411 O ARG A 26 2.403 -5.416 43.988 1.00 0.35 O ATOM 412 CB ARG A 26 -0.385 -7.047 45.015 1.00 0.37 C ATOM 413 CG ARG A 26 -1.776 -6.754 45.583 1.00 1.07 C ATOM 414 CD ARG A 26 -2.172 -7.862 46.562 1.00 1.25 C ATOM 415 NE ARG A 26 -3.598 -7.587 46.894 1.00 1.85 N ATOM 416 CZ ARG A 26 -4.132 -8.104 47.969 1.00 2.32 C ATOM 417 NH1 ARG A 26 -3.420 -8.867 48.755 1.00 2.40 N ATOM 418 NH2 ARG A 26 -5.381 -7.859 48.257 1.00 3.26 N ATOM 0 H ARG A 26 -1.505 -6.723 42.921 1.00 0.29 H new ATOM 0 HA ARG A 26 0.058 -4.934 44.649 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -0.402 -7.975 44.444 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.329 -7.185 45.827 1.00 0.37 H new ATOM 0 HG2 ARG A 26 -1.778 -5.789 46.090 1.00 1.07 H new ATOM 0 HG3 ARG A 26 -2.505 -6.691 44.775 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -2.054 -8.848 46.112 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -1.547 -7.842 47.455 1.00 1.25 H new ATOM 0 HE ARG A 26 -4.158 -6.994 46.281 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -2.444 -9.061 48.530 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -3.840 -9.269 49.593 1.00 2.40 H new ATOM 0 HH21 ARG A 26 -5.939 -7.265 47.644 1.00 3.26 H new ATOM 0 HH22 ARG A 26 -5.799 -8.262 49.096 1.00 3.26 H new ATOM 432 N THR A 27 1.680 -7.109 42.792 1.00 0.37 N ATOM 433 CA THR A 27 3.055 -7.409 42.295 1.00 0.41 C ATOM 434 C THR A 27 3.605 -6.250 41.459 1.00 0.39 C ATOM 435 O THR A 27 4.799 -6.033 41.398 1.00 0.42 O ATOM 436 CB THR A 27 2.899 -8.662 41.431 1.00 0.44 C ATOM 437 OG1 THR A 27 2.279 -9.687 42.194 1.00 0.61 O ATOM 438 CG2 THR A 27 4.275 -9.134 40.959 1.00 0.77 C ATOM 0 H THR A 27 0.948 -7.726 42.440 1.00 0.37 H new ATOM 0 HA THR A 27 3.756 -7.556 43.116 1.00 0.41 H new ATOM 0 HB THR A 27 2.281 -8.431 40.563 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.308 -9.644 42.072 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.162 -10.027 40.344 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.748 -8.347 40.373 1.00 0.77 H new ATOM 0 HG23 THR A 27 4.897 -9.366 41.824 1.00 0.77 H new ATOM 446 N LEU A 28 2.757 -5.538 40.772 1.00 0.35 N ATOM 447 CA LEU A 28 3.252 -4.441 39.892 1.00 0.34 C ATOM 448 C LEU A 28 3.373 -3.129 40.674 1.00 0.32 C ATOM 449 O LEU A 28 3.858 -2.139 40.165 1.00 0.33 O ATOM 450 CB LEU A 28 2.203 -4.319 38.784 1.00 0.32 C ATOM 451 CG LEU A 28 2.741 -3.424 37.668 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.835 -4.169 36.896 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.602 -3.059 36.713 1.00 1.05 C ATOM 0 H LEU A 28 1.745 -5.667 40.781 1.00 0.35 H new ATOM 0 HA LEU A 28 4.244 -4.653 39.494 1.00 0.34 H new ATOM 0 HB2 LEU A 28 1.960 -5.305 38.388 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.280 -3.901 39.187 1.00 0.32 H new ATOM 0 HG LEU A 28 3.158 -2.515 38.102 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.218 -3.530 36.100 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.647 -4.429 37.575 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.419 -5.079 36.462 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.985 -2.421 35.917 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.185 -3.968 36.280 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.824 -2.528 37.261 1.00 1.05 H new ATOM 465 N GLY A 29 2.961 -3.117 41.913 1.00 0.32 N ATOM 466 CA GLY A 29 3.080 -1.869 42.721 1.00 0.32 C ATOM 467 C GLY A 29 2.165 -0.792 42.143 1.00 0.29 C ATOM 468 O GLY A 29 2.530 0.363 42.051 1.00 0.29 O ATOM 0 H GLY A 29 2.549 -3.913 42.399 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.812 -2.069 43.758 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.113 -1.521 42.720 1.00 0.32 H new ATOM 472 N ILE A 30 0.984 -1.161 41.743 1.00 0.27 N ATOM 473 CA ILE A 30 0.048 -0.156 41.156 1.00 0.24 C ATOM 474 C ILE A 30 -1.200 -0.008 42.028 1.00 0.23 C ATOM 475 O ILE A 30 -1.718 -0.967 42.565 1.00 0.26 O ATOM 476 CB ILE A 30 -0.321 -0.704 39.779 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.951 -0.887 38.949 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.253 0.281 39.072 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.751 0.419 38.950 1.00 0.29 C ATOM 0 H ILE A 30 0.622 -2.113 41.795 1.00 0.27 H new ATOM 0 HA ILE A 30 0.503 0.832 41.091 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.825 -1.664 39.891 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.554 -1.696 39.361 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.695 -1.169 37.928 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.517 -0.109 38.089 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.158 0.415 39.664 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.749 1.241 38.958 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.658 0.291 38.359 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.146 1.216 38.518 1.00 0.29 H new ATOM 0 HD13 ILE A 30 2.019 0.681 39.974 1.00 0.29 H new ATOM 491 N ALA A 31 -1.653 1.199 42.203 1.00 0.22 N ATOM 492 CA ALA A 31 -2.833 1.446 43.080 1.00 0.23 C ATOM 493 C ALA A 31 -3.714 2.542 42.475 1.00 0.20 C ATOM 494 O ALA A 31 -3.318 3.241 41.565 1.00 0.18 O ATOM 495 CB ALA A 31 -2.245 1.917 44.409 1.00 0.23 C ATOM 0 H ALA A 31 -1.254 2.034 41.773 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.454 0.558 43.197 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.052 2.121 45.112 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.597 1.141 44.816 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.666 2.826 44.249 1.00 0.23 H new ATOM 501 N GLU A 32 -4.909 2.695 42.970 1.00 0.22 N ATOM 502 CA GLU A 32 -5.814 3.742 42.416 1.00 0.21 C ATOM 503 C GLU A 32 -5.122 5.110 42.424 1.00 0.19 C ATOM 504 O GLU A 32 -4.364 5.427 43.318 1.00 0.20 O ATOM 505 CB GLU A 32 -7.024 3.750 43.351 1.00 0.25 C ATOM 506 CG GLU A 32 -8.097 4.688 42.791 1.00 0.27 C ATOM 507 CD GLU A 32 -9.265 4.772 43.774 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.182 4.147 44.819 1.00 1.13 O ATOM 509 OE2 GLU A 32 -10.224 5.461 43.467 1.00 1.12 O ATOM 0 H GLU A 32 -5.299 2.142 43.733 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.093 3.538 41.382 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.425 2.741 43.453 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.725 4.076 44.347 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.677 5.680 42.624 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.446 4.323 41.825 1.00 0.27 H new ATOM 516 N LYS A 33 -5.419 5.932 41.449 1.00 0.19 N ATOM 517 CA LYS A 33 -4.839 7.313 41.390 1.00 0.20 C ATOM 518 C LYS A 33 -3.369 7.277 40.952 1.00 0.18 C ATOM 519 O LYS A 33 -2.779 8.301 40.673 1.00 0.21 O ATOM 520 CB LYS A 33 -4.961 7.876 42.809 1.00 0.23 C ATOM 521 CG LYS A 33 -4.817 9.398 42.767 1.00 0.29 C ATOM 522 CD LYS A 33 -4.869 9.958 44.189 1.00 0.87 C ATOM 523 CE LYS A 33 -4.893 11.487 44.137 1.00 1.35 C ATOM 524 NZ LYS A 33 -3.842 11.922 45.098 1.00 1.88 N ATOM 0 H LYS A 33 -6.048 5.703 40.679 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.365 7.931 40.662 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.925 7.603 43.239 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.192 7.445 43.450 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.875 9.671 42.292 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.615 9.832 42.165 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.755 9.588 44.705 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -4.004 9.617 44.757 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -4.683 11.851 43.131 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -5.871 11.876 44.419 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -3.798 12.961 45.118 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -4.072 11.567 46.048 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -2.921 11.543 44.800 1.00 1.88 H new ATOM 538 N ASP A 34 -2.802 6.112 40.793 1.00 0.16 N ATOM 539 CA ASP A 34 -1.411 6.038 40.259 1.00 0.16 C ATOM 540 C ASP A 34 -1.420 6.238 38.742 1.00 0.19 C ATOM 541 O ASP A 34 -2.461 6.233 38.115 1.00 0.20 O ATOM 542 CB ASP A 34 -0.918 4.638 40.615 1.00 0.17 C ATOM 543 CG ASP A 34 -0.636 4.571 42.116 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.700 5.605 42.759 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.362 3.486 42.593 1.00 1.08 O ATOM 0 H ASP A 34 -3.237 5.215 41.008 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.766 6.810 40.678 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.667 3.895 40.340 1.00 0.17 H new ATOM 0 HB3 ASP A 34 -0.014 4.404 40.052 1.00 0.17 H new ATOM 550 N ALA A 35 -0.280 6.484 38.157 1.00 0.22 N ATOM 551 CA ALA A 35 -0.244 6.765 36.693 1.00 0.28 C ATOM 552 C ALA A 35 0.289 5.553 35.921 1.00 0.20 C ATOM 553 O ALA A 35 1.353 5.041 36.206 1.00 0.16 O ATOM 554 CB ALA A 35 0.704 7.954 36.546 1.00 0.36 C ATOM 0 H ALA A 35 0.625 6.503 38.627 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.235 6.976 36.292 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.787 8.226 35.494 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.315 8.802 37.110 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.688 7.684 36.929 1.00 0.36 H new ATOM 560 N LEU A 36 -0.402 5.155 34.886 1.00 0.24 N ATOM 561 CA LEU A 36 0.105 4.050 34.021 1.00 0.21 C ATOM 562 C LEU A 36 0.571 4.624 32.682 1.00 0.20 C ATOM 563 O LEU A 36 -0.105 5.441 32.092 1.00 0.23 O ATOM 564 CB LEU A 36 -1.100 3.137 33.794 1.00 0.34 C ATOM 565 CG LEU A 36 -1.789 2.839 35.123 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.194 2.304 34.843 1.00 0.55 C ATOM 567 CD2 LEU A 36 -0.987 1.785 35.890 1.00 0.56 C ATOM 0 H LEU A 36 -1.299 5.549 34.602 1.00 0.24 H new ATOM 0 HA LEU A 36 0.944 3.522 34.474 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.803 3.612 33.110 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.778 2.207 33.325 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.850 3.749 35.720 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.696 2.088 35.786 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.765 3.051 34.292 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.125 1.391 34.251 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.479 1.573 36.839 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -0.929 0.871 35.299 1.00 0.56 H new ATOM 0 HD23 LEU A 36 0.019 2.160 36.079 1.00 0.56 H new ATOM 579 N GLU A 37 1.629 4.106 32.125 1.00 0.19 N ATOM 580 CA GLU A 37 2.011 4.533 30.750 1.00 0.21 C ATOM 581 C GLU A 37 1.692 3.415 29.756 1.00 0.19 C ATOM 582 O GLU A 37 1.798 2.245 30.068 1.00 0.20 O ATOM 583 CB GLU A 37 3.514 4.803 30.806 1.00 0.25 C ATOM 584 CG GLU A 37 3.983 5.358 29.460 1.00 0.26 C ATOM 585 CD GLU A 37 5.503 5.535 29.484 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.101 5.207 30.495 1.00 1.08 O ATOM 587 OE2 GLU A 37 6.041 5.997 28.491 1.00 1.17 O ATOM 0 H GLU A 37 2.240 3.413 32.556 1.00 0.19 H new ATOM 0 HA GLU A 37 1.465 5.418 30.424 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.737 5.513 31.602 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.051 3.884 31.039 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.698 4.680 28.656 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.498 6.313 29.259 1.00 0.26 H new ATOM 594 N ILE A 38 1.175 3.768 28.616 1.00 0.21 N ATOM 595 CA ILE A 38 0.696 2.736 27.657 1.00 0.20 C ATOM 596 C ILE A 38 1.590 2.699 26.417 1.00 0.20 C ATOM 597 O ILE A 38 1.932 3.722 25.849 1.00 0.24 O ATOM 598 CB ILE A 38 -0.721 3.173 27.283 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.566 3.303 28.552 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.350 2.128 26.358 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.945 3.860 28.192 1.00 0.84 C ATOM 0 H ILE A 38 1.062 4.733 28.304 1.00 0.21 H new ATOM 0 HA ILE A 38 0.717 1.735 28.088 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.681 4.135 26.772 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.669 2.331 29.034 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.071 3.962 29.266 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.360 2.439 26.091 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.749 2.033 25.454 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.390 1.166 26.869 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.547 3.953 29.096 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.832 4.840 27.729 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.440 3.184 27.494 1.00 0.84 H new ATOM 613 N TYR A 39 1.973 1.520 26.013 1.00 0.19 N ATOM 614 CA TYR A 39 2.861 1.360 24.827 1.00 0.21 C ATOM 615 C TYR A 39 2.114 0.630 23.709 1.00 0.20 C ATOM 616 O TYR A 39 1.241 -0.175 23.965 1.00 0.20 O ATOM 617 CB TYR A 39 4.008 0.487 25.328 1.00 0.24 C ATOM 618 CG TYR A 39 4.987 1.308 26.121 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.600 1.906 27.327 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.290 1.454 25.652 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.526 2.658 28.061 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.216 2.204 26.382 1.00 0.36 C ATOM 623 CZ TYR A 39 6.836 2.808 27.587 1.00 0.39 C ATOM 624 OH TYR A 39 7.751 3.553 28.302 1.00 0.45 O ATOM 0 H TYR A 39 1.703 0.645 26.463 1.00 0.19 H new ATOM 0 HA TYR A 39 3.199 2.316 24.428 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.615 -0.320 25.947 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.515 0.022 24.483 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.590 1.788 27.690 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.585 0.987 24.724 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.231 3.121 28.991 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.226 2.318 26.016 1.00 0.36 H new ATOM 0 HH TYR A 39 8.611 3.553 27.832 1.00 0.45 H new ATOM 634 N VAL A 40 2.547 0.784 22.489 1.00 0.21 N ATOM 635 CA VAL A 40 1.955 -0.038 21.394 1.00 0.22 C ATOM 636 C VAL A 40 3.055 -0.686 20.550 1.00 0.22 C ATOM 637 O VAL A 40 3.852 -0.013 19.928 1.00 0.23 O ATOM 638 CB VAL A 40 1.145 0.944 20.550 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.579 0.219 19.328 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.008 1.501 21.389 1.00 0.27 C ATOM 0 H VAL A 40 3.277 1.436 22.203 1.00 0.21 H new ATOM 0 HA VAL A 40 1.339 -0.849 21.783 1.00 0.22 H new ATOM 0 HB VAL A 40 1.788 1.761 20.223 1.00 0.25 H new ATOM 0 HG11 VAL A 40 0.001 0.919 18.725 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.398 -0.183 18.732 1.00 0.27 H new ATOM 0 HG13 VAL A 40 -0.066 -0.597 19.655 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.588 2.202 20.790 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.651 0.682 21.713 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.393 2.015 22.262 1.00 0.27 H new ATOM 650 N ASP A 41 3.071 -1.990 20.483 1.00 0.21 N ATOM 651 CA ASP A 41 4.077 -2.682 19.627 1.00 0.22 C ATOM 652 C ASP A 41 3.485 -3.975 19.055 1.00 0.25 C ATOM 653 O ASP A 41 2.670 -4.614 19.679 1.00 0.27 O ATOM 654 CB ASP A 41 5.251 -2.992 20.559 1.00 0.20 C ATOM 655 CG ASP A 41 4.903 -4.188 21.448 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.768 -4.266 21.886 1.00 1.77 O ATOM 657 OD2 ASP A 41 5.779 -5.008 21.671 1.00 1.69 O ATOM 0 H ASP A 41 2.431 -2.606 20.984 1.00 0.21 H new ATOM 0 HA ASP A 41 4.385 -2.072 18.778 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.145 -3.210 19.974 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.478 -2.122 21.176 1.00 0.20 H new ATOM 662 N ASP A 42 3.992 -4.433 17.946 1.00 0.27 N ATOM 663 CA ASP A 42 3.572 -5.768 17.425 1.00 0.33 C ATOM 664 C ASP A 42 2.055 -5.968 17.558 1.00 0.33 C ATOM 665 O ASP A 42 1.591 -7.057 17.829 1.00 0.37 O ATOM 666 CB ASP A 42 4.324 -6.773 18.292 1.00 0.38 C ATOM 667 CG ASP A 42 3.954 -8.197 17.866 1.00 0.45 C ATOM 668 OD1 ASP A 42 3.284 -8.336 16.855 1.00 1.22 O ATOM 669 OD2 ASP A 42 4.348 -9.122 18.556 1.00 1.14 O ATOM 0 H ASP A 42 4.680 -3.942 17.375 1.00 0.27 H new ATOM 0 HA ASP A 42 3.798 -5.879 16.364 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.399 -6.621 18.194 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.075 -6.620 19.342 1.00 0.38 H new ATOM 674 N GLU A 43 1.279 -4.960 17.264 1.00 0.30 N ATOM 675 CA GLU A 43 -0.206 -5.134 17.255 1.00 0.31 C ATOM 676 C GLU A 43 -0.713 -5.550 18.640 1.00 0.30 C ATOM 677 O GLU A 43 -1.873 -5.861 18.818 1.00 0.31 O ATOM 678 CB GLU A 43 -0.469 -6.241 16.231 1.00 0.35 C ATOM 679 CG GLU A 43 -1.972 -6.349 15.965 1.00 1.17 C ATOM 680 CD GLU A 43 -2.451 -5.097 15.227 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.634 -4.470 14.574 1.00 1.93 O ATOM 682 OE2 GLU A 43 -3.627 -4.788 15.328 1.00 1.68 O ATOM 0 H GLU A 43 1.607 -4.023 17.029 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.723 -4.209 17.001 1.00 0.31 H new ATOM 0 HB2 GLU A 43 0.060 -6.025 15.303 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -0.086 -7.192 16.602 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -2.184 -7.238 15.371 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -2.512 -6.458 16.906 1.00 1.17 H new ATOM 689 N LYS A 44 0.118 -5.451 19.638 1.00 0.29 N ATOM 690 CA LYS A 44 -0.353 -5.722 21.027 1.00 0.30 C ATOM 691 C LYS A 44 0.038 -4.561 21.944 1.00 0.27 C ATOM 692 O LYS A 44 0.813 -3.703 21.573 1.00 0.26 O ATOM 693 CB LYS A 44 0.347 -7.015 21.452 1.00 0.34 C ATOM 694 CG LYS A 44 1.843 -6.760 21.642 1.00 1.29 C ATOM 695 CD LYS A 44 2.547 -8.076 21.979 1.00 1.23 C ATOM 696 CE LYS A 44 3.964 -7.786 22.481 1.00 1.90 C ATOM 697 NZ LYS A 44 4.233 -8.834 23.504 1.00 2.01 N ATOM 0 H LYS A 44 1.102 -5.195 19.554 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.437 -5.823 21.084 1.00 0.30 H new ATOM 0 HB2 LYS A 44 -0.088 -7.386 22.380 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.194 -7.786 20.697 1.00 0.34 H new ATOM 0 HG2 LYS A 44 2.267 -6.330 20.735 1.00 1.29 H new ATOM 0 HG3 LYS A 44 2.001 -6.036 22.441 1.00 1.29 H new ATOM 0 HD2 LYS A 44 1.984 -8.617 22.740 1.00 1.23 H new ATOM 0 HD3 LYS A 44 2.586 -8.715 21.097 1.00 1.23 H new ATOM 0 HE2 LYS A 44 4.688 -7.833 21.668 1.00 1.90 H new ATOM 0 HE3 LYS A 44 4.033 -6.787 22.912 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 5.228 -9.129 23.445 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 4.041 -8.451 24.452 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.618 -9.654 23.331 1.00 2.01 H new ATOM 711 N ILE A 45 -0.599 -4.448 23.076 1.00 0.28 N ATOM 712 CA ILE A 45 -0.377 -3.250 23.935 1.00 0.27 C ATOM 713 C ILE A 45 0.516 -3.598 25.130 1.00 0.27 C ATOM 714 O ILE A 45 0.294 -4.574 25.816 1.00 0.29 O ATOM 715 CB ILE A 45 -1.774 -2.859 24.416 1.00 0.30 C ATOM 716 CG1 ILE A 45 -2.688 -2.661 23.206 1.00 0.34 C ATOM 717 CG2 ILE A 45 -1.695 -1.558 25.215 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.144 -2.610 23.671 1.00 1.25 C ATOM 0 H ILE A 45 -1.262 -5.131 23.443 1.00 0.28 H new ATOM 0 HA ILE A 45 0.122 -2.445 23.396 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.175 -3.649 25.052 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -2.428 -1.738 22.687 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.550 -3.476 22.495 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -2.692 -1.280 25.557 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.042 -1.699 26.076 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -1.295 -0.766 24.582 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -4.796 -2.469 22.809 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.399 -3.545 24.170 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.275 -1.780 24.365 1.00 1.25 H new ATOM 730 N ILE A 46 1.480 -2.766 25.420 1.00 0.26 N ATOM 731 CA ILE A 46 2.339 -2.995 26.618 1.00 0.29 C ATOM 732 C ILE A 46 2.069 -1.923 27.677 1.00 0.29 C ATOM 733 O ILE A 46 2.233 -0.747 27.438 1.00 0.31 O ATOM 734 CB ILE A 46 3.772 -2.888 26.091 1.00 0.32 C ATOM 735 CG1 ILE A 46 4.092 -4.119 25.244 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.753 -2.799 27.262 1.00 0.37 C ATOM 737 CD1 ILE A 46 5.158 -3.755 24.214 1.00 0.50 C ATOM 0 H ILE A 46 1.710 -1.934 24.877 1.00 0.26 H new ATOM 0 HA ILE A 46 2.147 -3.957 27.093 1.00 0.29 H new ATOM 0 HB ILE A 46 3.866 -1.990 25.481 1.00 0.32 H new ATOM 0 HG12 ILE A 46 4.445 -4.931 25.880 1.00 0.44 H new ATOM 0 HG13 ILE A 46 3.192 -4.475 24.743 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.771 -2.723 26.879 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.524 -1.918 27.862 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.664 -3.692 27.880 1.00 0.37 H new ATOM 0 HD11 ILE A 46 5.391 -4.630 23.606 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.786 -2.956 23.573 1.00 0.50 H new ATOM 0 HD13 ILE A 46 6.059 -3.419 24.726 1.00 0.50 H new ATOM 749 N LEU A 47 1.668 -2.319 28.851 1.00 0.28 N ATOM 750 CA LEU A 47 1.407 -1.316 29.925 1.00 0.29 C ATOM 751 C LEU A 47 2.443 -1.458 31.040 1.00 0.31 C ATOM 752 O LEU A 47 2.722 -2.544 31.503 1.00 0.39 O ATOM 753 CB LEU A 47 0.016 -1.645 30.458 1.00 0.34 C ATOM 754 CG LEU A 47 -1.009 -1.565 29.324 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.913 -2.817 28.450 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.416 -1.469 29.919 1.00 1.24 C ATOM 0 H LEU A 47 1.509 -3.291 29.116 1.00 0.28 H new ATOM 0 HA LEU A 47 1.469 -0.294 29.551 1.00 0.29 H new ATOM 0 HB2 LEU A 47 0.011 -2.644 30.894 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.253 -0.949 31.252 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.805 -0.684 28.715 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.645 -2.755 27.644 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.089 -2.889 28.026 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.115 -3.700 29.056 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.148 -1.412 29.114 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.614 -2.351 30.528 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.488 -0.576 30.539 1.00 1.24 H new ATOM 768 N LYS A 48 2.995 -0.368 31.486 1.00 0.29 N ATOM 769 CA LYS A 48 3.997 -0.436 32.591 1.00 0.35 C ATOM 770 C LYS A 48 3.815 0.744 33.548 1.00 0.28 C ATOM 771 O LYS A 48 3.177 1.724 33.223 1.00 0.25 O ATOM 772 CB LYS A 48 5.363 -0.364 31.910 1.00 0.47 C ATOM 773 CG LYS A 48 5.574 1.026 31.302 1.00 0.65 C ATOM 774 CD LYS A 48 6.971 1.099 30.687 1.00 0.85 C ATOM 775 CE LYS A 48 7.428 2.559 30.630 1.00 1.54 C ATOM 776 NZ LYS A 48 7.601 2.970 32.053 1.00 1.74 N ATOM 0 H LYS A 48 2.798 0.569 31.136 1.00 0.29 H new ATOM 0 HA LYS A 48 3.887 -1.346 33.181 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.150 -0.577 32.633 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.431 -1.124 31.132 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.818 1.222 30.541 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.461 1.792 32.069 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.672 0.510 31.279 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.962 0.670 29.685 1.00 0.85 H new ATOM 0 HE2 LYS A 48 8.361 2.658 30.075 1.00 1.54 H new ATOM 0 HE3 LYS A 48 6.690 3.183 30.127 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.296 3.742 32.109 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 6.690 3.296 32.433 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 7.938 2.159 32.610 1.00 1.74 H new ATOM 790 N LYS A 49 4.419 0.683 34.704 1.00 0.28 N ATOM 791 CA LYS A 49 4.329 1.835 35.646 1.00 0.25 C ATOM 792 C LYS A 49 4.818 3.110 34.963 1.00 0.22 C ATOM 793 O LYS A 49 5.644 3.071 34.072 1.00 0.24 O ATOM 794 CB LYS A 49 5.239 1.470 36.816 1.00 0.29 C ATOM 795 CG LYS A 49 5.165 2.562 37.884 1.00 0.30 C ATOM 796 CD LYS A 49 6.133 2.232 39.022 1.00 0.54 C ATOM 797 CE LYS A 49 5.957 3.249 40.153 1.00 1.08 C ATOM 798 NZ LYS A 49 6.382 4.551 39.568 1.00 1.65 N ATOM 0 H LYS A 49 4.968 -0.110 35.035 1.00 0.28 H new ATOM 0 HA LYS A 49 3.306 2.020 35.974 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.937 0.512 37.240 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.266 1.356 36.469 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.416 3.529 37.448 1.00 0.30 H new ATOM 0 HG3 LYS A 49 4.148 2.640 38.269 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.946 1.224 39.392 1.00 0.54 H new ATOM 0 HD3 LYS A 49 7.160 2.252 38.657 1.00 0.54 H new ATOM 0 HE2 LYS A 49 4.922 3.287 40.492 1.00 1.08 H new ATOM 0 HE3 LYS A 49 6.566 2.987 41.018 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.616 5.215 40.333 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 7.219 4.405 38.968 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 5.608 4.943 38.994 1.00 1.65 H new ATOM 812 N TYR A 50 4.258 4.228 35.318 1.00 0.20 N ATOM 813 CA TYR A 50 4.627 5.495 34.624 1.00 0.21 C ATOM 814 C TYR A 50 5.567 6.334 35.492 1.00 0.22 C ATOM 815 O TYR A 50 5.221 6.740 36.584 1.00 0.22 O ATOM 816 CB TYR A 50 3.303 6.229 34.415 1.00 0.20 C ATOM 817 CG TYR A 50 3.557 7.549 33.725 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.661 7.697 32.878 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.690 8.626 33.938 1.00 0.24 C ATOM 820 CE1 TYR A 50 4.897 8.922 32.244 1.00 0.30 C ATOM 821 CE2 TYR A 50 2.925 9.851 33.305 1.00 0.28 C ATOM 822 CZ TYR A 50 4.029 10.000 32.457 1.00 0.30 C ATOM 823 OH TYR A 50 4.262 11.208 31.833 1.00 0.35 O ATOM 0 H TYR A 50 3.561 4.323 36.057 1.00 0.20 H new ATOM 0 HA TYR A 50 5.150 5.308 33.686 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.628 5.618 33.816 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.814 6.397 35.374 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.331 6.866 32.714 1.00 0.26 H new ATOM 0 HD2 TYR A 50 1.838 8.511 34.592 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.749 9.036 31.590 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.255 10.682 33.470 1.00 0.28 H new ATOM 0 HH TYR A 50 3.565 11.848 32.088 1.00 0.35 H new ATOM 995 N VAL B 9 -0.303 8.110 28.580 1.00 0.32 N ATOM 996 CA VAL B 9 -0.519 7.612 29.972 1.00 0.29 C ATOM 997 C VAL B 9 -1.954 7.890 30.431 1.00 0.32 C ATOM 998 O VAL B 9 -2.532 8.913 30.124 1.00 0.37 O ATOM 999 CB VAL B 9 0.483 8.379 30.832 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.300 7.991 32.300 1.00 0.27 C ATOM 1001 CG2 VAL B 9 1.906 8.025 30.390 1.00 0.30 C ATOM 0 HA VAL B 9 -0.375 6.534 30.045 1.00 0.29 H new ATOM 0 HB VAL B 9 0.317 9.450 30.715 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.016 8.539 32.913 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.713 8.237 32.618 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.467 6.920 32.417 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.624 8.571 31.002 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.068 6.954 30.509 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.040 8.298 29.343 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.517 6.990 31.189 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.902 7.194 31.705 1.00 0.36 C ATOM 1013 C ARG B 10 -3.927 6.995 33.223 1.00 0.31 C ATOM 1014 O ARG B 10 -3.071 6.343 33.784 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.747 6.124 31.009 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.215 6.294 31.404 1.00 0.74 C ATOM 1017 CD ARG B 10 -6.788 7.539 30.722 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.190 7.634 31.217 1.00 1.14 N ATOM 1019 CZ ARG B 10 -9.074 8.335 30.556 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.731 8.960 29.462 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.301 8.410 30.990 1.00 1.92 N ATOM 0 H ARG B 10 -2.075 6.116 31.475 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.276 8.198 31.506 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.639 6.207 29.928 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.397 5.130 31.289 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.785 5.412 31.112 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.303 6.387 32.486 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.216 8.430 30.981 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.757 7.445 29.637 1.00 0.87 H new ATOM 0 HE ARG B 10 -8.461 7.151 32.074 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.771 8.902 29.121 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -9.423 9.506 28.948 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.570 7.922 31.844 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.992 8.957 30.475 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.891 7.562 33.895 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.955 7.408 35.377 1.00 0.30 C ATOM 1037 C LYS B 11 -5.629 6.083 35.748 1.00 0.26 C ATOM 1038 O LYS B 11 -6.556 5.644 35.098 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.793 8.589 35.865 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.758 8.643 37.394 1.00 1.03 C ATOM 1041 CD LYS B 11 -6.534 9.869 37.881 1.00 1.03 C ATOM 1042 CE LYS B 11 -8.024 9.682 37.583 1.00 1.81 C ATOM 1043 NZ LYS B 11 -8.728 10.408 38.676 1.00 2.21 N ATOM 0 H LYS B 11 -5.636 8.124 33.484 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.964 7.396 35.830 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -5.407 9.519 35.449 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -6.821 8.487 35.518 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -6.194 7.735 37.810 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.726 8.690 37.743 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.381 10.008 38.951 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -6.163 10.767 37.387 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -8.286 10.089 36.606 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -8.295 8.626 37.572 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -9.756 10.326 38.541 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -8.465 9.994 39.593 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -8.456 11.412 38.658 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.187 5.461 36.807 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.825 4.183 37.240 1.00 0.22 C ATOM 1059 C VAL B 12 -7.108 4.486 38.017 1.00 0.20 C ATOM 1060 O VAL B 12 -7.107 5.264 38.949 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.804 3.515 38.163 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.172 2.043 38.351 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.404 3.619 37.556 1.00 0.29 C ATOM 0 H VAL B 12 -4.414 5.781 37.390 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.089 3.547 36.395 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.812 4.020 39.129 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.444 1.567 39.009 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.165 1.970 38.795 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.169 1.541 37.384 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.683 3.141 38.219 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.390 3.122 36.586 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.140 4.669 37.429 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.200 3.873 37.654 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.466 4.135 38.391 1.00 0.21 C ATOM 1075 C ASP B 13 -9.539 3.256 39.647 1.00 0.22 C ATOM 1076 O ASP B 13 -8.566 2.645 40.041 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.592 3.805 37.398 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.995 2.333 37.517 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.334 1.503 36.920 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.958 2.058 38.210 1.00 0.55 O ATOM 0 H ASP B 13 -8.270 3.207 36.885 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.542 5.166 38.737 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.455 4.442 37.593 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.262 4.017 36.381 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.638 3.297 40.345 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.717 2.590 41.657 1.00 0.26 C ATOM 1087 C GLU B 14 -10.346 1.106 41.524 1.00 0.26 C ATOM 1088 O GLU B 14 -9.776 0.526 42.426 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.175 2.738 42.093 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.346 2.175 43.506 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.821 2.237 43.906 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.617 2.672 43.091 1.00 2.19 O ATOM 1093 OE2 GLU B 14 -14.129 1.849 45.021 1.00 1.99 O ATOM 0 H GLU B 14 -11.487 3.789 40.066 1.00 0.23 H new ATOM 0 HA GLU B 14 -10.017 3.010 42.379 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.467 3.788 42.071 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.829 2.210 41.398 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.991 1.145 43.544 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -11.743 2.746 44.212 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.779 0.454 40.480 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.570 -1.025 40.399 1.00 0.25 C ATOM 1102 C LEU B 15 -9.191 -1.371 39.822 1.00 0.23 C ATOM 1103 O LEU B 15 -8.833 -2.526 39.716 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.674 -1.538 39.477 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.455 -3.031 39.214 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.201 -3.754 40.540 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.701 -3.616 38.545 1.00 1.39 C ATOM 0 H LEU B 15 -11.264 0.873 39.686 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.609 -1.482 41.388 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.650 -1.376 39.934 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.666 -0.986 38.537 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.593 -3.162 38.560 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -11.045 -4.816 40.351 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.315 -3.337 41.018 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -12.062 -3.624 41.196 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.548 -4.679 38.357 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.562 -3.484 39.200 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.882 -3.103 37.601 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.430 -0.399 39.407 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.107 -0.717 38.796 1.00 0.20 C ATOM 1121 C GLY B 16 -7.305 -1.142 37.338 1.00 0.21 C ATOM 1122 O GLY B 16 -6.785 -2.150 36.892 1.00 0.21 O ATOM 0 H GLY B 16 -8.662 0.593 39.462 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.453 0.153 38.846 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.619 -1.515 39.355 1.00 0.20 H new ATOM 1126 N ARG B 17 -8.084 -0.402 36.600 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.346 -0.779 35.184 1.00 0.27 C ATOM 1128 C ARG B 17 -7.795 0.300 34.249 1.00 0.26 C ATOM 1129 O ARG B 17 -7.638 1.443 34.629 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.869 -0.867 35.076 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.376 -2.008 35.961 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.893 -2.133 35.820 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.440 -0.914 36.475 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.704 -0.863 36.811 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.496 -1.865 36.538 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.177 0.190 37.421 1.00 1.14 N ATOM 0 H ARG B 17 -8.551 0.448 36.917 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.867 -1.717 34.903 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.322 0.076 35.384 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -10.162 -1.038 34.040 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.896 -2.944 35.675 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -10.112 -1.819 37.002 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.189 -2.185 34.772 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.261 -3.039 36.301 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.830 -0.118 36.662 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -14.130 -2.689 36.062 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.481 -1.823 36.801 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.561 0.974 37.636 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.162 0.228 37.682 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.476 -0.059 33.038 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.908 0.941 32.089 1.00 0.26 C ATOM 1152 C VAL B 18 -7.750 0.989 30.814 1.00 0.24 C ATOM 1153 O VAL B 18 -8.432 0.042 30.477 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.497 0.440 31.782 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.709 0.304 33.086 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.580 -0.924 31.094 1.00 0.26 C ATOM 0 H VAL B 18 -7.583 -1.001 32.663 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.899 1.949 32.504 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.994 1.150 31.125 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.703 -0.053 32.867 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.650 1.275 33.579 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.212 -0.406 33.742 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.574 -1.283 30.874 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -6.083 -1.633 31.752 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -6.142 -0.829 30.165 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.770 2.109 30.146 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.644 2.241 28.947 1.00 0.22 C ATOM 1168 C VAL B 19 -7.799 2.394 27.681 1.00 0.22 C ATOM 1169 O VAL B 19 -6.908 3.216 27.614 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.459 3.509 29.197 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.540 3.643 28.123 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -10.113 3.430 30.577 1.00 0.24 C ATOM 0 H VAL B 19 -7.220 2.936 30.378 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.275 1.364 28.800 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.802 4.378 29.157 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -11.121 4.548 28.302 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -10.072 3.701 27.141 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.199 2.776 28.160 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.695 4.334 30.756 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.770 2.561 30.619 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.341 3.338 31.341 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.132 1.671 26.646 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.412 1.851 25.355 1.00 0.24 C ATOM 1184 C ILE B 20 -8.048 3.002 24.568 1.00 0.24 C ATOM 1185 O ILE B 20 -9.252 3.088 24.473 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.593 0.513 24.626 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.503 -0.460 25.081 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.488 0.718 23.112 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -5.127 0.169 24.857 1.00 1.38 C ATOM 0 H ILE B 20 -8.869 0.966 26.639 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.359 2.102 25.481 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.577 0.108 24.863 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.636 -0.703 26.135 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -6.581 -1.395 24.526 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.618 -0.238 22.605 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.263 1.411 22.784 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.508 1.128 22.867 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -4.352 -0.526 25.182 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -4.996 0.390 23.798 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -5.051 1.092 25.432 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.214 3.813 23.976 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.713 4.920 23.124 1.00 0.30 C ATOM 1203 C PRO B 21 -8.545 4.358 21.967 1.00 0.28 C ATOM 1204 O PRO B 21 -8.254 3.305 21.437 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.445 5.600 22.604 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.320 4.654 22.901 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.755 3.776 24.043 1.00 0.32 C ATOM 0 HA PRO B 21 -8.358 5.613 23.664 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.518 5.797 21.534 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -6.288 6.560 23.095 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -5.084 4.052 22.023 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.416 5.204 23.163 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.375 2.760 23.934 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.389 4.152 24.998 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.597 5.033 21.590 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.461 4.509 20.493 1.00 0.30 C ATOM 1217 C ILE B 22 -9.629 4.248 19.236 1.00 0.33 C ATOM 1218 O ILE B 22 -9.900 3.337 18.480 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.489 5.611 20.234 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.604 5.068 19.336 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.808 6.792 19.540 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.378 3.981 20.082 1.00 1.11 C ATOM 0 H ILE B 22 -9.895 5.922 21.992 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.934 3.564 20.761 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.913 5.941 21.182 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -13.277 5.875 19.047 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -12.180 4.662 18.418 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.541 7.577 19.355 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -10.013 7.180 20.177 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.384 6.462 18.592 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -14.171 3.595 19.442 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.700 3.170 20.349 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.815 4.402 20.988 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.606 5.024 19.015 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.753 4.795 17.817 1.00 0.40 C ATOM 1236 C GLU B 23 -7.186 3.374 17.848 1.00 0.37 C ATOM 1237 O GLU B 23 -7.067 2.716 16.833 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.629 5.824 17.930 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.758 5.771 16.673 1.00 1.22 C ATOM 1240 CD GLU B 23 -6.555 6.296 15.477 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -7.477 7.065 15.696 1.00 2.00 O ATOM 1242 OE2 GLU B 23 -6.228 5.922 14.363 1.00 2.37 O ATOM 0 H GLU B 23 -8.324 5.804 19.609 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.306 4.900 16.884 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -7.047 6.823 18.053 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -6.024 5.621 18.813 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -4.859 6.370 16.815 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -5.433 4.748 16.486 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.863 2.888 19.015 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.335 1.500 19.131 1.00 0.33 C ATOM 1251 C LEU B 24 -7.481 0.486 19.128 1.00 0.29 C ATOM 1252 O LEU B 24 -7.349 -0.605 18.614 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.583 1.469 20.459 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.404 2.441 20.399 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.578 2.322 21.681 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.525 2.100 19.194 1.00 1.75 C ATOM 0 H LEU B 24 -6.943 3.395 19.897 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.688 1.236 18.294 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.252 1.742 21.275 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.226 0.460 20.664 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.778 3.460 20.301 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.738 3.015 21.638 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.203 2.563 22.541 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.203 1.303 21.779 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.684 2.792 19.150 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.151 1.081 19.293 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -4.112 2.184 18.280 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.630 0.856 19.632 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.785 -0.082 19.566 1.00 0.23 C ATOM 1270 C ARG B 25 -10.051 -0.450 18.107 1.00 0.26 C ATOM 1271 O ARG B 25 -10.320 -1.588 17.779 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.985 0.684 20.132 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.736 1.076 21.590 1.00 0.21 C ATOM 1274 CD ARG B 25 -12.028 1.660 22.176 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.601 2.453 23.360 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.386 3.373 23.854 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.563 3.583 23.328 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -11.995 4.079 24.880 1.00 0.27 N ATOM 0 H ARG B 25 -8.815 1.754 20.080 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.597 -0.999 20.124 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.167 1.578 19.536 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.882 0.068 20.064 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.421 0.206 22.166 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.930 1.807 21.651 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.542 2.287 21.447 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.722 0.870 22.462 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.692 2.278 23.788 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.871 3.028 22.530 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.174 4.302 23.716 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.078 3.912 25.294 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.606 4.798 25.267 1.00 0.27 H new ATOM 1292 N ARG B 26 -10.018 0.518 17.231 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.315 0.239 15.797 1.00 0.33 C ATOM 1294 C ARG B 26 -9.154 -0.518 15.143 1.00 0.35 C ATOM 1295 O ARG B 26 -9.351 -1.498 14.454 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.484 1.617 15.156 1.00 0.37 C ATOM 1297 CG ARG B 26 -11.702 2.316 15.763 1.00 1.07 C ATOM 1298 CD ARG B 26 -11.935 3.649 15.048 1.00 1.25 C ATOM 1299 NE ARG B 26 -13.004 4.325 15.834 1.00 1.86 N ATOM 1300 CZ ARG B 26 -13.697 5.296 15.301 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -13.455 5.681 14.077 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -14.633 5.884 15.995 1.00 3.27 N ATOM 0 H ARG B 26 -9.798 1.490 17.447 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.201 -0.384 15.676 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -9.589 2.217 15.318 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -10.609 1.516 14.078 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -12.583 1.682 15.668 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.544 2.485 16.828 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -11.025 4.248 15.023 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -12.243 3.494 14.014 1.00 1.25 H new ATOM 0 HE ARG B 26 -13.196 4.029 16.791 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -12.723 5.223 13.534 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -13.998 6.439 13.664 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -14.822 5.585 16.952 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -15.175 6.642 15.581 1.00 3.27 H new ATOM 1316 N THR B 27 -7.951 -0.049 15.325 1.00 0.37 N ATOM 1317 CA THR B 27 -6.781 -0.713 14.678 1.00 0.41 C ATOM 1318 C THR B 27 -6.605 -2.142 15.202 1.00 0.39 C ATOM 1319 O THR B 27 -6.106 -3.007 14.511 1.00 0.42 O ATOM 1320 CB THR B 27 -5.576 0.150 15.054 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.818 1.494 14.659 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.328 -0.376 14.343 1.00 0.77 C ATOM 0 H THR B 27 -7.726 0.767 15.894 1.00 0.37 H new ATOM 0 HA THR B 27 -6.907 -0.794 13.598 1.00 0.41 H new ATOM 0 HB THR B 27 -5.421 0.109 16.132 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.232 1.983 15.400 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.470 0.240 14.612 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.144 -1.407 14.646 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.480 -0.336 13.264 1.00 0.77 H new ATOM 1330 N LEU B 28 -6.945 -2.382 16.438 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.724 -3.739 17.016 1.00 0.35 C ATOM 1332 C LEU B 28 -7.926 -4.651 16.735 1.00 0.33 C ATOM 1333 O LEU B 28 -7.901 -5.829 17.031 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.559 -3.508 18.518 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.047 -4.789 19.178 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.582 -5.012 18.794 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.159 -4.658 20.699 1.00 1.05 C ATOM 0 H LEU B 28 -7.365 -1.701 17.071 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.855 -4.232 16.581 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.861 -2.690 18.696 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.512 -3.215 18.959 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.645 -5.635 18.839 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.217 -5.925 19.265 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.500 -5.104 17.711 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -3.984 -4.166 19.133 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -5.794 -5.571 21.171 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.561 -3.811 21.036 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.201 -4.499 20.975 1.00 1.05 H new ATOM 1349 N GLY B 29 -8.967 -4.125 16.150 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.148 -4.979 15.833 1.00 0.32 C ATOM 1351 C GLY B 29 -10.808 -5.444 17.132 1.00 0.29 C ATOM 1352 O GLY B 29 -11.213 -6.582 17.261 1.00 0.29 O ATOM 0 H GLY B 29 -9.052 -3.145 15.879 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.863 -4.419 15.230 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.838 -5.841 15.242 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.905 -4.577 18.101 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.524 -4.978 19.397 1.00 0.24 C ATOM 1358 C ILE B 30 -12.799 -4.174 19.657 1.00 0.23 C ATOM 1359 O ILE B 30 -12.875 -2.996 19.373 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.469 -4.672 20.459 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.192 -5.453 20.146 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -10.996 -5.085 21.835 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.534 -6.934 19.959 1.00 0.30 C ATOM 0 H ILE B 30 -10.584 -3.610 18.053 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.812 -6.029 19.401 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.251 -3.604 20.460 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.724 -5.060 19.243 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.472 -5.334 20.956 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.244 -4.867 22.593 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -11.907 -4.529 22.057 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.213 -6.153 21.836 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.625 -7.492 19.736 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -9.983 -7.322 20.873 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.238 -7.043 19.134 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.813 -4.823 20.153 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.112 -4.133 20.391 1.00 0.23 C ATOM 1377 C ALA B 31 -15.743 -4.639 21.691 1.00 0.20 C ATOM 1378 O ALA B 31 -15.326 -5.633 22.249 1.00 0.19 O ATOM 1379 CB ALA B 31 -15.983 -4.512 19.195 1.00 0.23 C ATOM 0 H ALA B 31 -13.798 -5.811 20.406 1.00 0.22 H new ATOM 0 HA ALA B 31 -14.997 -3.053 20.488 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -16.962 -4.042 19.294 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.508 -4.170 18.276 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.102 -5.595 19.160 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.742 -3.960 22.180 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.392 -4.401 23.447 1.00 0.21 C ATOM 1387 C GLU B 32 -17.824 -5.868 23.344 1.00 0.19 C ATOM 1388 O GLU B 32 -18.236 -6.332 22.301 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.612 -3.492 23.599 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.279 -3.754 24.951 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.554 -2.918 25.063 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -20.867 -2.220 24.112 1.00 1.13 O ATOM 1393 OE2 GLU B 32 -21.197 -2.987 26.098 1.00 1.12 O ATOM 0 H GLU B 32 -17.137 -3.119 21.758 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.719 -4.331 24.302 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.311 -2.447 23.526 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.319 -3.677 22.791 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.516 -4.813 25.052 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.594 -3.502 25.761 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.774 -6.582 24.441 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.225 -8.010 24.461 1.00 0.20 C ATOM 1402 C LYS B 33 -17.196 -8.924 23.785 1.00 0.18 C ATOM 1403 O LYS B 33 -17.293 -10.133 23.859 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.552 -8.040 23.701 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.303 -9.328 24.041 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.599 -9.393 23.230 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.428 -10.595 23.689 1.00 1.35 C ATOM 1408 NZ LYS B 33 -22.809 -11.301 22.435 1.00 1.88 N ATOM 0 H LYS B 33 -17.435 -6.232 25.337 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.337 -8.373 25.483 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.156 -7.173 23.967 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.370 -7.984 22.628 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.679 -10.194 23.820 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.527 -9.360 25.107 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.169 -8.473 23.361 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.372 -9.479 22.167 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -21.851 -11.244 24.348 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -23.309 -10.277 24.246 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -23.380 -12.138 22.668 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -23.363 -10.661 21.831 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -21.950 -11.598 21.929 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.163 -8.370 23.211 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.086 -9.232 22.640 1.00 0.16 C ATOM 1424 C ASP B 34 -14.182 -9.751 23.759 1.00 0.19 C ATOM 1425 O ASP B 34 -14.261 -9.305 24.885 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.306 -8.329 21.690 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.142 -8.071 20.437 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.184 -8.692 20.304 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.724 -7.259 19.632 1.00 1.09 O ATOM 0 H ASP B 34 -16.017 -7.365 23.112 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.487 -10.104 22.124 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.066 -7.386 22.181 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.360 -8.797 21.420 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.374 -10.736 23.476 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.527 -11.332 24.549 1.00 0.28 C ATOM 1436 C ALA B 35 -11.072 -10.871 24.412 1.00 0.20 C ATOM 1437 O ALA B 35 -10.462 -11.004 23.370 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.632 -12.842 24.337 1.00 0.36 C ATOM 0 H ALA B 35 -13.264 -11.153 22.552 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.855 -11.030 25.544 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.035 -13.357 25.089 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.674 -13.150 24.427 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.263 -13.096 23.343 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.489 -10.415 25.488 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.044 -10.045 25.462 1.00 0.21 C ATOM 1446 C LEU B 36 -8.237 -11.084 26.242 1.00 0.19 C ATOM 1447 O LEU B 36 -8.622 -11.482 27.320 1.00 0.23 O ATOM 1448 CB LEU B 36 -8.964 -8.698 26.178 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.027 -7.747 25.630 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.218 -6.601 26.620 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.567 -7.189 24.280 1.00 0.56 C ATOM 0 H LEU B 36 -10.953 -10.282 26.387 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.648 -9.999 24.447 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.108 -8.838 27.249 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -7.973 -8.264 26.043 1.00 0.34 H new ATOM 0 HG LEU B 36 -10.968 -8.280 25.494 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -10.975 -5.915 26.240 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.540 -7.001 27.581 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.275 -6.068 26.746 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.325 -6.511 23.889 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.629 -6.649 24.410 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.418 -8.010 23.579 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.062 -11.415 25.789 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.188 -12.299 26.611 1.00 0.20 C ATOM 1465 C GLU B 37 -5.049 -11.481 27.220 1.00 0.18 C ATOM 1466 O GLU B 37 -4.554 -10.546 26.622 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.653 -13.356 25.647 1.00 0.24 C ATOM 1468 CG GLU B 37 -4.823 -14.382 26.421 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.202 -15.381 25.442 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.409 -15.219 24.252 1.00 1.07 O ATOM 1471 OE2 GLU B 37 -3.532 -16.290 25.902 1.00 1.17 O ATOM 0 H GLU B 37 -6.671 -11.117 24.896 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.726 -12.760 27.440 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.480 -13.851 25.139 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.042 -12.885 24.877 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.040 -13.879 26.988 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.452 -14.906 27.141 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.728 -11.740 28.455 1.00 0.20 N ATOM 1479 CA ILE B 38 -3.739 -10.887 29.168 1.00 0.20 C ATOM 1480 C ILE B 38 -2.451 -11.667 29.430 1.00 0.19 C ATOM 1481 O ILE B 38 -2.474 -12.804 29.872 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.417 -10.516 30.487 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -5.755 -9.831 30.196 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.517 -9.562 31.273 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.492 -9.571 31.511 1.00 0.84 C ATOM 0 H ILE B 38 -5.110 -12.510 29.004 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.461 -10.007 28.587 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.589 -11.418 31.074 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.588 -8.892 29.669 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.363 -10.459 29.544 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.001 -9.298 32.213 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.564 -10.048 31.479 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.344 -8.659 30.687 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.445 -9.083 31.304 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.672 -10.518 32.020 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -5.885 -8.927 32.147 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.334 -11.057 29.144 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.017 -11.723 29.342 1.00 0.20 C ATOM 1499 C TYR B 39 0.782 -10.995 30.425 1.00 0.20 C ATOM 1500 O TYR B 39 0.635 -9.805 30.614 1.00 0.19 O ATOM 1501 CB TYR B 39 0.692 -11.571 27.998 1.00 0.23 C ATOM 1502 CG TYR B 39 0.175 -12.581 27.011 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.160 -12.540 26.587 1.00 0.31 C ATOM 1504 CD2 TYR B 39 1.040 -13.555 26.509 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.626 -13.480 25.660 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.576 -14.494 25.586 1.00 0.36 C ATOM 1507 CZ TYR B 39 -0.756 -14.458 25.160 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.211 -15.390 24.249 1.00 0.45 O ATOM 0 H TYR B 39 -1.278 -10.108 28.775 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.121 -12.763 29.652 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.538 -10.564 27.611 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.766 -11.700 28.130 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -1.828 -11.785 26.974 1.00 0.31 H new ATOM 0 HD2 TYR B 39 2.069 -13.582 26.835 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.654 -13.451 25.331 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.246 -15.249 25.201 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.470 -15.674 23.674 1.00 0.45 H new ATOM 1518 N VAL B 40 1.726 -11.658 31.033 1.00 0.21 N ATOM 1519 CA VAL B 40 2.636 -10.941 31.974 1.00 0.21 C ATOM 1520 C VAL B 40 4.099 -11.263 31.654 1.00 0.21 C ATOM 1521 O VAL B 40 4.528 -12.397 31.739 1.00 0.23 O ATOM 1522 CB VAL B 40 2.263 -11.457 33.361 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.215 -10.861 34.399 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.828 -11.038 33.689 1.00 0.26 C ATOM 0 H VAL B 40 1.907 -12.656 30.922 1.00 0.21 H new ATOM 0 HA VAL B 40 2.530 -9.859 31.901 1.00 0.21 H new ATOM 0 HB VAL B 40 2.340 -12.544 33.378 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.949 -11.229 35.390 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.238 -11.155 34.165 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.137 -9.774 34.383 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.559 -11.405 34.679 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.754 -9.951 33.673 1.00 0.26 H new ATOM 0 HG23 VAL B 40 0.148 -11.459 32.949 1.00 0.26 H new ATOM 1534 N ASP B 41 4.882 -10.262 31.351 1.00 0.21 N ATOM 1535 CA ASP B 41 6.331 -10.499 31.098 1.00 0.21 C ATOM 1536 C ASP B 41 7.150 -9.284 31.543 1.00 0.24 C ATOM 1537 O ASP B 41 6.691 -8.165 31.480 1.00 0.26 O ATOM 1538 CB ASP B 41 6.446 -10.700 29.583 1.00 0.19 C ATOM 1539 CG ASP B 41 6.346 -9.347 28.873 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.545 -8.532 29.301 1.00 1.77 O ATOM 1541 OD2 ASP B 41 7.080 -9.146 27.918 1.00 1.68 O ATOM 0 H ASP B 41 4.580 -9.291 31.268 1.00 0.21 H new ATOM 0 HA ASP B 41 6.711 -11.358 31.651 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.395 -11.179 29.341 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.655 -11.364 29.234 1.00 0.19 H new ATOM 1546 N ASP B 42 8.399 -9.483 31.859 1.00 0.27 N ATOM 1547 CA ASP B 42 9.292 -8.321 32.150 1.00 0.32 C ATOM 1548 C ASP B 42 8.578 -7.268 33.010 1.00 0.32 C ATOM 1549 O ASP B 42 8.777 -6.083 32.838 1.00 0.37 O ATOM 1550 CB ASP B 42 9.634 -7.746 30.776 1.00 0.37 C ATOM 1551 CG ASP B 42 10.537 -6.524 30.943 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.969 -6.278 32.056 1.00 1.21 O ATOM 1553 OD2 ASP B 42 10.780 -5.853 29.953 1.00 1.14 O ATOM 0 H ASP B 42 8.842 -10.399 31.929 1.00 0.27 H new ATOM 0 HA ASP B 42 10.176 -8.621 32.713 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.134 -8.500 30.169 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.721 -7.467 30.250 1.00 0.37 H new ATOM 1558 N GLU B 43 7.838 -7.691 34.000 1.00 0.29 N ATOM 1559 CA GLU B 43 7.221 -6.709 34.946 1.00 0.30 C ATOM 1560 C GLU B 43 6.276 -5.761 34.202 1.00 0.29 C ATOM 1561 O GLU B 43 5.767 -4.812 34.766 1.00 0.30 O ATOM 1562 CB GLU B 43 8.400 -5.938 35.542 1.00 0.34 C ATOM 1563 CG GLU B 43 7.911 -5.063 36.697 1.00 1.17 C ATOM 1564 CD GLU B 43 7.476 -5.952 37.863 1.00 1.34 C ATOM 1565 OE1 GLU B 43 7.962 -7.068 37.943 1.00 1.92 O ATOM 1566 OE2 GLU B 43 6.666 -5.502 38.655 1.00 1.68 O ATOM 0 H GLU B 43 7.633 -8.671 34.196 1.00 0.29 H new ATOM 0 HA GLU B 43 6.624 -7.201 35.714 1.00 0.30 H new ATOM 0 HB2 GLU B 43 9.160 -6.634 35.897 1.00 0.34 H new ATOM 0 HB3 GLU B 43 8.867 -5.319 34.776 1.00 0.34 H new ATOM 0 HG2 GLU B 43 8.705 -4.388 37.017 1.00 1.17 H new ATOM 0 HG3 GLU B 43 7.078 -4.442 36.369 1.00 1.17 H new ATOM 1573 N LYS B 44 5.951 -6.070 32.979 1.00 0.29 N ATOM 1574 CA LYS B 44 4.939 -5.251 32.251 1.00 0.30 C ATOM 1575 C LYS B 44 3.862 -6.164 31.660 1.00 0.27 C ATOM 1576 O LYS B 44 4.008 -7.370 31.633 1.00 0.26 O ATOM 1577 CB LYS B 44 5.713 -4.530 31.145 1.00 0.34 C ATOM 1578 CG LYS B 44 6.168 -5.536 30.087 1.00 1.29 C ATOM 1579 CD LYS B 44 7.020 -4.821 29.036 1.00 1.23 C ATOM 1580 CE LYS B 44 7.206 -5.734 27.820 1.00 1.90 C ATOM 1581 NZ LYS B 44 7.233 -4.815 26.646 1.00 2.00 N ATOM 0 H LYS B 44 6.340 -6.852 32.452 1.00 0.29 H new ATOM 0 HA LYS B 44 4.433 -4.541 32.905 1.00 0.30 H new ATOM 0 HB2 LYS B 44 5.084 -3.767 30.687 1.00 0.34 H new ATOM 0 HB3 LYS B 44 6.577 -4.018 31.568 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.743 -6.336 30.554 1.00 1.29 H new ATOM 0 HG3 LYS B 44 5.302 -6.000 29.615 1.00 1.29 H new ATOM 0 HD2 LYS B 44 6.539 -3.890 28.735 1.00 1.23 H new ATOM 0 HD3 LYS B 44 7.990 -4.557 29.457 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.131 -6.306 27.894 1.00 1.90 H new ATOM 0 HE3 LYS B 44 6.391 -6.454 27.739 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 7.907 -5.174 25.940 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 6.284 -4.763 26.224 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 7.527 -3.866 26.954 1.00 2.00 H new ATOM 1595 N ILE B 45 2.730 -5.616 31.319 1.00 0.28 N ATOM 1596 CA ILE B 45 1.588 -6.475 30.891 1.00 0.26 C ATOM 1597 C ILE B 45 1.412 -6.422 29.371 1.00 0.26 C ATOM 1598 O ILE B 45 1.388 -5.363 28.779 1.00 0.29 O ATOM 1599 CB ILE B 45 0.370 -5.871 31.586 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.630 -5.799 33.092 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -0.857 -6.746 31.322 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.418 -4.899 33.748 1.00 1.24 C ATOM 0 H ILE B 45 2.545 -4.613 31.318 1.00 0.28 H new ATOM 0 HA ILE B 45 1.741 -7.522 31.152 1.00 0.26 H new ATOM 0 HB ILE B 45 0.190 -4.869 31.198 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.591 -6.798 33.527 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.630 -5.408 33.281 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.726 -6.314 31.819 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.042 -6.800 30.249 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -0.679 -7.749 31.710 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.233 -4.848 34.821 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.357 -3.898 33.321 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.412 -5.309 33.570 1.00 1.24 H new ATOM 1614 N ILE B 46 1.217 -7.553 28.751 1.00 0.26 N ATOM 1615 CA ILE B 46 0.958 -7.571 27.282 1.00 0.29 C ATOM 1616 C ILE B 46 -0.485 -8.005 27.005 1.00 0.28 C ATOM 1617 O ILE B 46 -0.901 -9.083 27.376 1.00 0.31 O ATOM 1618 CB ILE B 46 1.946 -8.596 26.726 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.360 -8.018 26.780 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.586 -8.938 25.278 1.00 0.37 C ATOM 1621 CD1 ILE B 46 4.369 -9.161 26.882 1.00 0.50 C ATOM 0 H ILE B 46 1.226 -8.469 29.199 1.00 0.26 H new ATOM 0 HA ILE B 46 1.085 -6.590 26.824 1.00 0.29 H new ATOM 0 HB ILE B 46 1.898 -9.504 27.327 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.556 -7.423 25.888 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.460 -7.351 27.637 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.295 -9.669 24.890 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.579 -9.354 25.242 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.627 -8.034 24.670 1.00 0.37 H new ATOM 0 HD11 ILE B 46 5.379 -8.753 26.921 1.00 0.50 H new ATOM 0 HD12 ILE B 46 4.176 -9.737 27.787 1.00 0.50 H new ATOM 0 HD13 ILE B 46 4.273 -9.810 26.011 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.249 -7.181 26.346 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.659 -7.559 26.035 1.00 0.29 C ATOM 1635 C LEU B 47 -2.826 -7.770 24.530 1.00 0.31 C ATOM 1636 O LEU B 47 -2.399 -6.960 23.733 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.505 -6.375 26.500 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.286 -6.136 27.994 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.952 -5.417 28.209 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.422 -5.268 28.539 1.00 1.23 C ATOM 0 H LEU B 47 -0.961 -6.263 26.009 1.00 0.28 H new ATOM 0 HA LEU B 47 -2.952 -8.487 26.526 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.237 -5.481 25.936 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.559 -6.571 26.305 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.271 -7.093 28.516 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.798 -5.247 29.275 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.141 -6.031 27.818 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -1.966 -4.460 27.688 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.269 -5.095 29.604 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.434 -4.312 28.015 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.374 -5.777 28.387 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.468 -8.835 24.139 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.688 -9.078 22.685 1.00 0.34 C ATOM 1654 C LYS B 48 -5.080 -9.671 22.451 1.00 0.27 C ATOM 1655 O LYS B 48 -5.718 -10.157 23.363 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.604 -10.077 22.274 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.880 -11.437 22.917 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.823 -12.440 22.449 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.377 -13.861 22.572 1.00 1.54 C ATOM 1660 NZ LYS B 48 -3.481 -13.936 21.573 1.00 1.74 N ATOM 0 H LYS B 48 -3.850 -9.547 24.762 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.632 -8.158 22.104 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.581 -10.176 21.189 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.624 -9.711 22.582 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.860 -11.350 24.003 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.876 -11.786 22.644 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.545 -12.235 21.415 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -0.919 -12.338 23.049 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -1.607 -14.604 22.364 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -2.744 -14.055 23.580 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -3.625 -14.926 21.288 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -4.357 -13.567 21.995 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -3.233 -13.368 20.738 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.531 -9.688 21.226 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.852 -10.311 20.933 1.00 0.25 C ATOM 1676 C LYS B 49 -6.867 -11.759 21.424 1.00 0.22 C ATOM 1677 O LYS B 49 -5.847 -12.414 21.487 1.00 0.24 O ATOM 1678 CB LYS B 49 -6.992 -10.262 19.412 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.360 -10.817 19.007 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.472 -10.835 17.482 1.00 0.54 C ATOM 1681 CE LYS B 49 -9.886 -11.259 17.078 1.00 1.08 C ATOM 1682 NZ LYS B 49 -10.014 -12.666 17.551 1.00 1.65 N ATOM 0 H LYS B 49 -5.044 -9.299 20.419 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.671 -9.793 21.431 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.885 -9.236 19.059 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.198 -10.845 18.944 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.488 -11.824 19.404 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.154 -10.204 19.433 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.248 -9.847 17.079 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.740 -11.525 17.061 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.638 -10.618 17.538 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.026 -11.191 15.999 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -10.752 -13.151 17.002 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.107 -13.159 17.423 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -10.272 -12.671 18.558 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.004 -12.236 21.847 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.064 -13.609 22.423 1.00 0.22 C ATOM 1698 C TYR B 50 -8.664 -14.592 21.414 1.00 0.25 C ATOM 1699 O TYR B 50 -9.790 -14.446 20.985 1.00 0.20 O ATOM 1700 CB TYR B 50 -8.972 -13.481 23.646 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.124 -14.830 24.307 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.102 -15.780 24.205 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.290 -15.131 25.019 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.245 -17.031 24.816 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.434 -16.382 25.631 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.411 -17.332 25.529 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.553 -18.565 26.132 1.00 0.65 O ATOM 0 H TYR B 50 -8.893 -11.736 21.819 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.075 -13.989 22.680 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.550 -12.765 24.351 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -9.948 -13.098 23.348 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.202 -15.548 23.655 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.079 -14.398 25.097 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.456 -17.764 24.737 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.334 -16.614 26.181 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.420 -18.609 26.586 1.00 0.65 H new