USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=10 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 91:sc= 1.1 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -4.49! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= 0.0262 (180deg=-0.564) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00776) 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= 1.06 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 180:sc= -4.24! USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 155:sc= 0.0255 (180deg=-0.595) USER MOD Single : B 49 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00653) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N ILE A 8 -4.645 -15.360 30.784 1.00 0.37 N ATOM 93 CA ILE A 8 -6.020 -15.145 31.329 1.00 0.37 C ATOM 94 C ILE A 8 -6.778 -14.144 30.457 1.00 0.32 C ATOM 95 O ILE A 8 -6.230 -13.163 30.013 1.00 0.30 O ATOM 96 CB ILE A 8 -5.812 -14.578 32.731 1.00 0.40 C ATOM 97 CG1 ILE A 8 -4.912 -15.520 33.535 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.163 -14.443 33.433 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.610 -14.898 34.899 1.00 1.36 C ATOM 0 HA ILE A 8 -6.604 -16.065 31.346 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.340 -13.598 32.659 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.402 -16.485 33.664 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -3.984 -15.703 32.994 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.014 -14.038 34.434 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -7.804 -13.772 32.862 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.635 -15.423 33.504 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -3.969 -15.569 35.471 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -4.103 -13.943 34.759 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.542 -14.738 35.440 1.00 1.36 H new ATOM 111 N VAL A 9 -8.013 -14.420 30.152 1.00 0.32 N ATOM 112 CA VAL A 9 -8.769 -13.513 29.237 1.00 0.29 C ATOM 113 C VAL A 9 -9.949 -12.864 29.967 1.00 0.32 C ATOM 114 O VAL A 9 -10.614 -13.483 30.774 1.00 0.37 O ATOM 115 CB VAL A 9 -9.263 -14.407 28.101 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.103 -13.580 27.127 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.059 -14.998 27.357 1.00 0.30 C ATOM 0 H VAL A 9 -8.533 -15.229 30.493 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.146 -12.697 28.870 1.00 0.29 H new ATOM 0 HB VAL A 9 -9.871 -15.213 28.513 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.455 -14.219 26.317 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -10.959 -13.157 27.653 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.495 -12.774 26.716 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.410 -15.636 26.546 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.453 -14.190 26.947 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.458 -15.588 28.049 1.00 0.30 H new ATOM 127 N ARG A 10 -10.239 -11.630 29.650 1.00 0.31 N ATOM 128 CA ARG A 10 -11.402 -10.941 30.279 1.00 0.36 C ATOM 129 C ARG A 10 -12.294 -10.339 29.189 1.00 0.31 C ATOM 130 O ARG A 10 -11.870 -10.143 28.070 1.00 0.27 O ATOM 131 CB ARG A 10 -10.793 -9.842 31.149 1.00 0.40 C ATOM 132 CG ARG A 10 -11.899 -9.151 31.948 1.00 0.73 C ATOM 133 CD ARG A 10 -11.297 -8.013 32.776 1.00 0.86 C ATOM 134 NE ARG A 10 -12.427 -7.499 33.600 1.00 1.13 N ATOM 135 CZ ARG A 10 -12.893 -8.210 34.592 1.00 1.36 C ATOM 136 NH1 ARG A 10 -12.371 -9.375 34.867 1.00 1.61 N ATOM 137 NH2 ARG A 10 -13.883 -7.755 35.309 1.00 1.91 N ATOM 0 H ARG A 10 -9.717 -11.067 28.978 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.023 -11.618 30.866 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.053 -10.268 31.826 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.273 -9.116 30.525 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -12.660 -8.760 31.273 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.392 -9.869 32.603 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -10.481 -8.370 33.404 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -10.888 -7.232 32.135 1.00 0.86 H new ATOM 0 HE ARG A 10 -12.838 -6.590 33.389 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -11.597 -9.732 34.307 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -12.737 -9.928 35.642 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -14.292 -6.845 35.095 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -14.248 -8.309 36.084 1.00 1.91 H new ATOM 151 N LYS A 11 -13.532 -10.068 29.496 1.00 0.32 N ATOM 152 CA LYS A 11 -14.448 -9.510 28.459 1.00 0.29 C ATOM 153 C LYS A 11 -14.284 -7.989 28.367 1.00 0.26 C ATOM 154 O LYS A 11 -14.000 -7.324 29.343 1.00 0.27 O ATOM 155 CB LYS A 11 -15.856 -9.872 28.933 1.00 0.33 C ATOM 156 CG LYS A 11 -16.196 -9.066 30.188 1.00 1.02 C ATOM 157 CD LYS A 11 -17.552 -9.519 30.733 1.00 1.03 C ATOM 158 CE LYS A 11 -18.042 -8.515 31.780 1.00 1.81 C ATOM 159 NZ LYS A 11 -18.893 -7.555 31.023 1.00 2.21 N ATOM 0 H LYS A 11 -13.949 -10.208 30.416 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.238 -9.911 27.467 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.581 -9.663 28.146 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -15.916 -10.939 29.146 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -15.423 -9.206 30.944 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -16.223 -8.002 29.954 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -18.275 -9.596 29.921 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -17.465 -10.511 31.177 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -18.610 -9.011 32.567 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -17.206 -8.007 32.262 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -19.267 -6.835 31.673 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -18.324 -7.093 30.285 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -19.684 -8.066 30.581 1.00 2.21 H new ATOM 173 N VAL A 12 -14.467 -7.435 27.198 1.00 0.22 N ATOM 174 CA VAL A 12 -14.329 -5.957 27.040 1.00 0.21 C ATOM 175 C VAL A 12 -15.631 -5.266 27.450 1.00 0.20 C ATOM 176 O VAL A 12 -16.699 -5.635 27.009 1.00 0.20 O ATOM 177 CB VAL A 12 -14.070 -5.737 25.548 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.537 -4.321 25.325 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.045 -6.755 25.044 1.00 0.28 C ATOM 0 H VAL A 12 -14.706 -7.942 26.346 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.530 -5.550 27.660 1.00 0.21 H new ATOM 0 HB VAL A 12 -15.003 -5.865 24.999 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.353 -4.165 24.262 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.271 -3.596 25.676 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.606 -4.191 25.878 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.864 -6.594 23.981 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.111 -6.634 25.593 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.428 -7.764 25.198 1.00 0.28 H new ATOM 189 N ASP A 13 -15.554 -4.271 28.288 1.00 0.20 N ATOM 190 CA ASP A 13 -16.799 -3.573 28.718 1.00 0.21 C ATOM 191 C ASP A 13 -17.180 -2.497 27.691 1.00 0.22 C ATOM 192 O ASP A 13 -16.647 -2.452 26.600 1.00 0.22 O ATOM 193 CB ASP A 13 -16.475 -2.966 30.090 1.00 0.21 C ATOM 194 CG ASP A 13 -15.913 -1.553 29.933 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.722 -1.425 29.713 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.687 -0.617 30.034 1.00 0.55 O ATOM 0 H ASP A 13 -14.689 -3.912 28.692 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.654 -4.246 28.786 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.375 -2.939 30.704 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.753 -3.595 30.611 1.00 0.21 H new ATOM 201 N GLU A 14 -18.191 -1.725 27.977 1.00 0.23 N ATOM 202 CA GLU A 14 -18.717 -0.773 26.955 1.00 0.26 C ATOM 203 C GLU A 14 -17.622 0.174 26.443 1.00 0.26 C ATOM 204 O GLU A 14 -17.629 0.567 25.294 1.00 0.29 O ATOM 205 CB GLU A 14 -19.807 0.017 27.679 1.00 0.28 C ATOM 206 CG GLU A 14 -20.937 -0.929 28.088 1.00 1.22 C ATOM 207 CD GLU A 14 -22.057 -0.129 28.756 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.845 1.043 29.019 1.00 2.19 O ATOM 209 OE2 GLU A 14 -23.108 -0.702 28.993 1.00 1.99 O ATOM 0 H GLU A 14 -18.677 -1.711 28.874 1.00 0.23 H new ATOM 0 HA GLU A 14 -19.092 -1.300 26.078 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -19.392 0.507 28.560 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -20.193 0.803 27.030 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -21.322 -1.452 27.213 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.560 -1.688 28.773 1.00 1.22 H new ATOM 216 N LEU A 15 -16.759 0.640 27.302 1.00 0.23 N ATOM 217 CA LEU A 15 -15.771 1.671 26.863 1.00 0.24 C ATOM 218 C LEU A 15 -14.526 1.031 26.240 1.00 0.22 C ATOM 219 O LEU A 15 -13.631 1.719 25.791 1.00 0.24 O ATOM 220 CB LEU A 15 -15.398 2.440 28.129 1.00 0.28 C ATOM 221 CG LEU A 15 -14.287 3.441 27.803 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.653 4.220 26.536 1.00 1.28 C ATOM 223 CD2 LEU A 15 -14.124 4.418 28.968 1.00 1.38 C ATOM 0 H LEU A 15 -16.693 0.357 28.280 1.00 0.23 H new ATOM 0 HA LEU A 15 -16.195 2.319 26.096 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -16.270 2.962 28.521 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -15.065 1.749 28.903 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.352 2.904 27.642 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.861 4.932 26.305 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.771 3.526 25.704 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.588 4.757 26.696 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -13.333 5.131 28.737 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -15.060 4.953 29.128 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.863 3.867 29.871 1.00 1.38 H new ATOM 235 N GLY A 16 -14.428 -0.270 26.240 1.00 0.21 N ATOM 236 CA GLY A 16 -13.202 -0.906 25.681 1.00 0.19 C ATOM 237 C GLY A 16 -12.075 -0.853 26.717 1.00 0.20 C ATOM 238 O GLY A 16 -10.964 -0.449 26.424 1.00 0.20 O ATOM 0 H GLY A 16 -15.134 -0.913 26.598 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.410 -1.941 25.408 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.896 -0.391 24.770 1.00 0.19 H new ATOM 242 N ARG A 17 -12.363 -1.202 27.940 1.00 0.24 N ATOM 243 CA ARG A 17 -11.322 -1.118 29.001 1.00 0.26 C ATOM 244 C ARG A 17 -11.014 -2.516 29.542 1.00 0.26 C ATOM 245 O ARG A 17 -11.833 -3.412 29.478 1.00 0.26 O ATOM 246 CB ARG A 17 -11.941 -0.241 30.089 1.00 0.28 C ATOM 247 CG ARG A 17 -12.137 1.175 29.548 1.00 0.28 C ATOM 248 CD ARG A 17 -12.717 2.069 30.645 1.00 0.29 C ATOM 249 NE ARG A 17 -14.099 1.563 30.861 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.971 2.296 31.506 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.618 3.455 31.996 1.00 0.73 N ATOM 252 NH2 ARG A 17 -16.194 1.873 31.663 1.00 1.15 N ATOM 0 H ARG A 17 -13.274 -1.541 28.250 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.382 -0.706 28.634 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.897 -0.657 30.406 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.295 -0.221 30.967 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -11.185 1.578 29.202 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.807 1.157 28.688 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -12.126 2.007 31.559 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.723 3.115 30.340 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.367 0.645 30.507 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.662 3.790 31.876 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.299 4.025 32.498 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.474 0.969 31.283 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.871 2.446 32.166 1.00 1.15 H new ATOM 266 N VAL A 18 -9.841 -2.708 30.076 1.00 0.26 N ATOM 267 CA VAL A 18 -9.483 -4.047 30.626 1.00 0.25 C ATOM 268 C VAL A 18 -9.078 -3.912 32.095 1.00 0.24 C ATOM 269 O VAL A 18 -8.637 -2.868 32.530 1.00 0.24 O ATOM 270 CB VAL A 18 -8.299 -4.519 29.783 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.699 -4.540 28.307 1.00 0.28 C ATOM 272 CG2 VAL A 18 -7.123 -3.559 29.977 1.00 0.26 C ATOM 0 H VAL A 18 -9.114 -1.997 30.156 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.314 -4.751 30.585 1.00 0.25 H new ATOM 0 HB VAL A 18 -8.008 -5.522 30.095 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.854 -4.877 27.706 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.538 -5.221 28.167 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.990 -3.537 27.995 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.277 -3.894 29.377 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.416 -2.557 29.664 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.837 -3.542 31.029 1.00 0.26 H new ATOM 282 N VAL A 19 -9.296 -4.933 32.876 1.00 0.22 N ATOM 283 CA VAL A 19 -9.006 -4.823 34.333 1.00 0.21 C ATOM 284 C VAL A 19 -7.836 -5.729 34.718 1.00 0.22 C ATOM 285 O VAL A 19 -7.802 -6.894 34.373 1.00 0.23 O ATOM 286 CB VAL A 19 -10.288 -5.282 35.025 1.00 0.22 C ATOM 287 CG1 VAL A 19 -10.174 -5.042 36.531 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.477 -4.493 34.471 1.00 0.24 C ATOM 0 H VAL A 19 -9.661 -5.835 32.570 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.724 -3.810 34.619 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.438 -6.346 34.839 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -11.090 -5.370 37.022 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -9.328 -5.605 36.926 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -10.022 -3.979 36.720 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.392 -4.820 34.964 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.326 -3.429 34.655 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.561 -4.667 33.398 1.00 0.24 H new ATOM 298 N ILE A 20 -6.919 -5.225 35.496 1.00 0.22 N ATOM 299 CA ILE A 20 -5.801 -6.083 35.979 1.00 0.24 C ATOM 300 C ILE A 20 -6.244 -6.852 37.229 1.00 0.24 C ATOM 301 O ILE A 20 -6.796 -6.276 38.138 1.00 0.23 O ATOM 302 CB ILE A 20 -4.675 -5.094 36.305 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.901 -4.769 35.026 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.719 -5.702 37.334 1.00 0.24 C ATOM 305 CD1 ILE A 20 -3.133 -6.007 34.564 1.00 1.38 C ATOM 0 H ILE A 20 -6.895 -4.257 35.818 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.485 -6.828 35.249 1.00 0.24 H new ATOM 0 HB ILE A 20 -5.110 -4.184 36.718 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -4.589 -4.443 34.246 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -3.210 -3.946 35.206 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.924 -4.990 37.557 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -4.267 -5.933 38.248 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -3.284 -6.617 36.931 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -2.582 -5.774 33.653 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -2.434 -6.313 35.342 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -3.834 -6.818 34.367 1.00 1.38 H new ATOM 317 N PRO A 21 -5.941 -8.121 37.251 1.00 0.28 N ATOM 318 CA PRO A 21 -6.265 -8.958 38.436 1.00 0.30 C ATOM 319 C PRO A 21 -5.589 -8.387 39.683 1.00 0.28 C ATOM 320 O PRO A 21 -4.495 -7.867 39.621 1.00 0.27 O ATOM 321 CB PRO A 21 -5.704 -10.338 38.089 1.00 0.35 C ATOM 322 CG PRO A 21 -4.820 -10.138 36.896 1.00 0.35 C ATOM 323 CD PRO A 21 -5.278 -8.886 36.197 1.00 0.32 C ATOM 0 HA PRO A 21 -7.333 -8.994 38.653 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -5.142 -10.752 38.926 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.507 -11.041 37.866 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.778 -10.047 37.202 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.881 -10.995 36.226 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.439 -8.336 35.771 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.960 -9.112 35.377 1.00 0.32 H new ATOM 331 N ILE A 22 -6.235 -8.457 40.814 1.00 0.30 N ATOM 332 CA ILE A 22 -5.628 -7.888 42.053 1.00 0.30 C ATOM 333 C ILE A 22 -4.244 -8.488 42.291 1.00 0.32 C ATOM 334 O ILE A 22 -3.349 -7.827 42.779 1.00 0.32 O ATOM 335 CB ILE A 22 -6.584 -8.277 43.180 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.222 -7.504 44.450 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.470 -9.779 43.450 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.448 -6.009 44.221 1.00 1.11 C ATOM 0 H ILE A 22 -7.154 -8.882 40.935 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.496 -6.808 41.987 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.606 -8.035 42.887 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.831 -7.851 45.285 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -5.181 -7.688 44.716 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -7.152 -10.057 44.254 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.729 -10.332 42.547 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.448 -10.020 43.742 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -6.190 -5.459 45.126 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.820 -5.668 43.398 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.495 -5.833 43.976 1.00 1.11 H new ATOM 350 N GLU A 23 -4.048 -9.721 41.930 1.00 0.36 N ATOM 351 CA GLU A 23 -2.706 -10.337 42.118 1.00 0.40 C ATOM 352 C GLU A 23 -1.650 -9.520 41.367 1.00 0.37 C ATOM 353 O GLU A 23 -0.538 -9.342 41.824 1.00 0.39 O ATOM 354 CB GLU A 23 -2.826 -11.736 41.512 1.00 0.44 C ATOM 355 CG GLU A 23 -1.536 -12.518 41.773 1.00 1.22 C ATOM 356 CD GLU A 23 -1.615 -13.880 41.080 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.617 -14.135 40.432 1.00 2.37 O ATOM 358 OE2 GLU A 23 -0.673 -14.645 41.211 1.00 2.01 O ATOM 0 H GLU A 23 -4.754 -10.329 41.514 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.405 -10.370 43.165 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -3.676 -12.261 41.947 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -3.010 -11.665 40.440 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -0.678 -11.958 41.401 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -1.390 -12.651 42.845 1.00 1.22 H new ATOM 365 N LEU A 24 -2.009 -8.990 40.232 1.00 0.34 N ATOM 366 CA LEU A 24 -1.053 -8.156 39.453 1.00 0.33 C ATOM 367 C LEU A 24 -1.030 -6.724 39.987 1.00 0.29 C ATOM 368 O LEU A 24 -0.003 -6.076 39.986 1.00 0.29 O ATOM 369 CB LEU A 24 -1.571 -8.190 38.015 1.00 0.33 C ATOM 370 CG LEU A 24 -1.464 -9.614 37.467 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.849 -9.622 35.986 1.00 1.41 C ATOM 372 CD2 LEU A 24 -0.024 -10.109 37.619 1.00 1.75 C ATOM 0 H LEU A 24 -2.930 -9.100 39.808 1.00 0.34 H new ATOM 0 HA LEU A 24 -0.032 -8.531 39.525 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.607 -7.854 37.983 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.994 -7.505 37.393 1.00 0.33 H new ATOM 0 HG LEU A 24 -2.137 -10.268 38.021 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.773 -10.637 35.596 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.873 -9.266 35.874 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -1.176 -8.968 35.431 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.055 -11.124 37.229 1.00 1.75 H new ATOM 0 HD22 LEU A 24 0.647 -9.454 37.063 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.254 -10.103 38.673 1.00 1.75 H new ATOM 384 N ARG A 25 -2.119 -6.250 40.526 1.00 0.25 N ATOM 385 CA ARG A 25 -2.091 -4.893 41.143 1.00 0.23 C ATOM 386 C ARG A 25 -1.020 -4.861 42.231 1.00 0.25 C ATOM 387 O ARG A 25 -0.274 -3.910 42.356 1.00 0.25 O ATOM 388 CB ARG A 25 -3.473 -4.677 41.772 1.00 0.22 C ATOM 389 CG ARG A 25 -4.571 -4.739 40.707 1.00 0.21 C ATOM 390 CD ARG A 25 -5.901 -4.302 41.337 1.00 0.22 C ATOM 391 NE ARG A 25 -6.958 -4.844 40.445 1.00 0.23 N ATOM 392 CZ ARG A 25 -8.178 -4.989 40.887 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.481 -4.639 42.109 1.00 0.30 N ATOM 394 NH2 ARG A 25 -9.099 -5.482 40.104 1.00 0.27 N ATOM 0 H ARG A 25 -3.015 -6.735 40.567 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.865 -4.119 40.410 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.654 -5.437 42.532 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.502 -3.710 42.274 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.320 -4.089 39.869 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.656 -5.751 40.312 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -6.003 -4.693 42.349 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.965 -3.216 41.407 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.730 -5.103 39.485 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.763 -4.251 42.721 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.435 -4.754 42.451 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.865 -5.753 39.149 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -10.053 -5.596 40.447 1.00 0.27 H new ATOM 408 N ARG A 26 -0.960 -5.885 43.034 1.00 0.29 N ATOM 409 CA ARG A 26 0.040 -5.909 44.139 1.00 0.33 C ATOM 410 C ARG A 26 1.456 -6.103 43.585 1.00 0.35 C ATOM 411 O ARG A 26 2.378 -5.400 43.949 1.00 0.35 O ATOM 412 CB ARG A 26 -0.358 -7.105 45.004 1.00 0.37 C ATOM 413 CG ARG A 26 0.546 -7.169 46.236 1.00 1.07 C ATOM 414 CD ARG A 26 0.187 -8.401 47.070 1.00 1.25 C ATOM 415 NE ARG A 26 1.039 -8.303 48.289 1.00 1.85 N ATOM 416 CZ ARG A 26 2.307 -8.607 48.227 1.00 2.32 C ATOM 417 NH1 ARG A 26 2.837 -8.996 47.098 1.00 2.40 N ATOM 418 NH2 ARG A 26 3.050 -8.520 49.297 1.00 3.26 N ATOM 0 H ARG A 26 -1.560 -6.708 42.974 1.00 0.29 H new ATOM 0 HA ARG A 26 0.048 -4.975 44.701 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -1.400 -7.015 45.309 1.00 0.37 H new ATOM 0 HB3 ARG A 26 -0.273 -8.027 44.429 1.00 0.37 H new ATOM 0 HG2 ARG A 26 1.591 -7.215 45.931 1.00 1.07 H new ATOM 0 HG3 ARG A 26 0.428 -6.265 46.834 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -0.872 -8.408 47.328 1.00 1.25 H new ATOM 0 HD3 ARG A 26 0.387 -9.321 46.521 1.00 1.25 H new ATOM 0 HE ARG A 26 0.631 -7.998 49.173 1.00 1.85 H new ATOM 0 HH11 ARG A 26 2.260 -9.063 46.260 1.00 2.40 H new ATOM 0 HH12 ARG A 26 3.828 -9.232 47.055 1.00 2.40 H new ATOM 0 HH21 ARG A 26 2.640 -8.215 50.180 1.00 3.26 H new ATOM 0 HH22 ARG A 26 4.041 -8.757 49.250 1.00 3.26 H new ATOM 432 N THR A 27 1.641 -7.074 42.734 1.00 0.37 N ATOM 433 CA THR A 27 3.005 -7.351 42.195 1.00 0.41 C ATOM 434 C THR A 27 3.527 -6.165 41.379 1.00 0.39 C ATOM 435 O THR A 27 4.717 -5.933 41.304 1.00 0.42 O ATOM 436 CB THR A 27 2.835 -8.581 41.302 1.00 0.44 C ATOM 437 OG1 THR A 27 2.238 -9.630 42.052 1.00 0.61 O ATOM 438 CG2 THR A 27 4.201 -9.033 40.785 1.00 0.77 C ATOM 0 H THR A 27 0.906 -7.690 42.387 1.00 0.37 H new ATOM 0 HA THR A 27 3.728 -7.516 42.994 1.00 0.41 H new ATOM 0 HB THR A 27 2.196 -8.330 40.456 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.264 -9.587 41.956 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.077 -9.910 40.149 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.657 -8.228 40.209 1.00 0.77 H new ATOM 0 HG23 THR A 27 4.844 -9.284 41.628 1.00 0.77 H new ATOM 446 N LEU A 28 2.659 -5.445 40.727 1.00 0.35 N ATOM 447 CA LEU A 28 3.129 -4.318 39.871 1.00 0.34 C ATOM 448 C LEU A 28 3.252 -3.029 40.690 1.00 0.32 C ATOM 449 O LEU A 28 3.720 -2.020 40.201 1.00 0.33 O ATOM 450 CB LEU A 28 2.058 -4.174 38.787 1.00 0.32 C ATOM 451 CG LEU A 28 2.552 -3.212 37.706 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.664 -3.884 36.896 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.391 -2.852 36.776 1.00 1.05 C ATOM 0 H LEU A 28 1.649 -5.586 40.748 1.00 0.35 H new ATOM 0 HA LEU A 28 4.116 -4.508 39.448 1.00 0.34 H new ATOM 0 HB2 LEU A 28 1.836 -5.147 38.349 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.131 -3.802 39.224 1.00 0.32 H new ATOM 0 HG LEU A 28 2.938 -2.306 38.173 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.017 -3.199 36.125 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.491 -4.143 37.558 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.277 -4.789 36.428 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.742 -2.166 36.005 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.005 -3.758 36.308 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.598 -2.375 37.352 1.00 1.05 H new ATOM 465 N GLY A 29 2.857 -3.054 41.934 1.00 0.32 N ATOM 466 CA GLY A 29 2.977 -1.829 42.773 1.00 0.32 C ATOM 467 C GLY A 29 2.070 -0.732 42.217 1.00 0.29 C ATOM 468 O GLY A 29 2.460 0.413 42.106 1.00 0.29 O ATOM 0 H GLY A 29 2.458 -3.867 42.404 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.702 -2.054 43.803 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.012 -1.486 42.787 1.00 0.32 H new ATOM 472 N ILE A 30 0.874 -1.077 41.835 1.00 0.27 N ATOM 473 CA ILE A 30 -0.043 -0.057 41.248 1.00 0.24 C ATOM 474 C ILE A 30 -1.275 0.138 42.132 1.00 0.23 C ATOM 475 O ILE A 30 -1.822 -0.799 42.678 1.00 0.26 O ATOM 476 CB ILE A 30 -0.446 -0.610 39.884 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.809 -0.835 39.036 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.364 0.388 39.177 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.660 0.438 39.039 1.00 0.29 C ATOM 0 H ILE A 30 0.490 -2.019 41.903 1.00 0.27 H new ATOM 0 HA ILE A 30 0.440 0.917 41.165 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.972 -1.555 40.017 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.384 -1.671 39.433 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.530 -1.096 38.015 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.651 -0.008 38.203 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.257 0.551 39.780 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.839 1.334 39.043 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.554 0.280 38.436 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.082 1.263 38.622 1.00 0.29 H new ATOM 0 HD13 ILE A 30 1.950 0.679 40.062 1.00 0.29 H new ATOM 491 N ALA A 31 -1.691 1.360 42.296 1.00 0.22 N ATOM 492 CA ALA A 31 -2.862 1.654 43.170 1.00 0.23 C ATOM 493 C ALA A 31 -3.719 2.757 42.543 1.00 0.20 C ATOM 494 O ALA A 31 -3.311 3.421 41.611 1.00 0.18 O ATOM 495 CB ALA A 31 -2.259 2.141 44.486 1.00 0.23 C ATOM 0 H ALA A 31 -1.267 2.178 41.858 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.504 0.784 43.309 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.059 2.379 45.187 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.628 1.359 44.908 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.659 3.033 44.303 1.00 0.23 H new ATOM 501 N GLU A 32 -4.907 2.954 43.040 1.00 0.22 N ATOM 502 CA GLU A 32 -5.790 4.007 42.463 1.00 0.21 C ATOM 503 C GLU A 32 -5.063 5.357 42.424 1.00 0.19 C ATOM 504 O GLU A 32 -4.300 5.686 43.308 1.00 0.20 O ATOM 505 CB GLU A 32 -6.990 4.076 43.407 1.00 0.25 C ATOM 506 CG GLU A 32 -8.032 5.042 42.839 1.00 0.27 C ATOM 507 CD GLU A 32 -9.183 5.196 43.835 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.122 4.571 44.881 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.106 5.934 43.533 1.00 1.13 O ATOM 0 H GLU A 32 -5.306 2.432 43.821 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.084 3.778 41.439 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.427 3.085 43.530 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.671 4.409 44.395 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.575 6.012 42.643 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.409 4.668 41.887 1.00 0.27 H new ATOM 516 N LYS A 33 -5.347 6.157 41.427 1.00 0.19 N ATOM 517 CA LYS A 33 -4.743 7.524 41.332 1.00 0.20 C ATOM 518 C LYS A 33 -3.271 7.450 40.907 1.00 0.18 C ATOM 519 O LYS A 33 -2.659 8.456 40.605 1.00 0.21 O ATOM 520 CB LYS A 33 -4.867 8.131 42.733 1.00 0.23 C ATOM 521 CG LYS A 33 -4.698 9.649 42.645 1.00 0.29 C ATOM 522 CD LYS A 33 -4.761 10.254 44.049 1.00 0.87 C ATOM 523 CE LYS A 33 -4.755 11.780 43.950 1.00 1.35 C ATOM 524 NZ LYS A 33 -5.043 12.256 45.332 1.00 1.88 N ATOM 0 H LYS A 33 -5.980 5.919 40.664 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.252 8.129 40.581 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.838 7.886 43.163 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.110 7.707 43.393 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.745 9.892 42.175 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.481 10.077 42.018 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.662 9.916 44.562 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -3.911 9.914 44.641 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -3.792 12.149 43.598 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -5.508 12.133 43.246 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -5.056 13.296 45.345 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -5.969 11.895 45.638 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -4.306 11.910 45.979 1.00 1.88 H new ATOM 538 N ASP A 34 -2.722 6.271 40.780 1.00 0.16 N ATOM 539 CA ASP A 34 -1.329 6.160 40.258 1.00 0.16 C ATOM 540 C ASP A 34 -1.322 6.342 38.739 1.00 0.19 C ATOM 541 O ASP A 34 -2.357 6.351 38.105 1.00 0.20 O ATOM 542 CB ASP A 34 -0.868 4.757 40.636 1.00 0.17 C ATOM 543 CG ASP A 34 -0.589 4.706 42.138 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.629 5.751 42.765 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.341 3.621 42.633 1.00 1.08 O ATOM 0 H ASP A 34 -3.174 5.387 41.013 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.671 6.923 40.673 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.633 4.027 40.371 1.00 0.17 H new ATOM 0 HB3 ASP A 34 0.031 4.494 40.078 1.00 0.17 H new ATOM 550 N ALA A 35 -0.172 6.553 38.159 1.00 0.22 N ATOM 551 CA ALA A 35 -0.118 6.814 36.691 1.00 0.28 C ATOM 552 C ALA A 35 0.379 5.575 35.938 1.00 0.20 C ATOM 553 O ALA A 35 1.428 5.038 36.230 1.00 0.16 O ATOM 554 CB ALA A 35 0.869 7.971 36.533 1.00 0.36 C ATOM 0 H ALA A 35 0.730 6.556 38.635 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.100 7.052 36.282 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.966 8.225 35.477 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.504 8.838 37.083 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.842 7.675 36.926 1.00 0.36 H new ATOM 560 N LEU A 36 -0.322 5.183 34.908 1.00 0.24 N ATOM 561 CA LEU A 36 0.152 4.052 34.058 1.00 0.21 C ATOM 562 C LEU A 36 0.634 4.596 32.713 1.00 0.20 C ATOM 563 O LEU A 36 -0.017 5.426 32.113 1.00 0.23 O ATOM 564 CB LEU A 36 -1.077 3.172 33.842 1.00 0.34 C ATOM 565 CG LEU A 36 -1.779 2.908 35.172 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.211 2.448 34.897 1.00 0.55 C ATOM 567 CD2 LEU A 36 -1.031 1.814 35.937 1.00 0.56 C ATOM 0 H LEU A 36 -1.207 5.599 34.617 1.00 0.24 H new ATOM 0 HA LEU A 36 0.975 3.504 34.518 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.764 3.659 33.150 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.781 2.228 33.385 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.792 3.820 35.768 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.720 2.257 35.842 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.744 3.225 34.349 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.192 1.534 34.304 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.533 1.626 36.886 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -1.020 0.899 35.345 1.00 0.56 H new ATOM 0 HD23 LEU A 36 -0.007 2.137 36.125 1.00 0.56 H new ATOM 579 N GLU A 37 1.682 4.047 32.166 1.00 0.19 N ATOM 580 CA GLU A 37 2.082 4.455 30.790 1.00 0.21 C ATOM 581 C GLU A 37 1.734 3.344 29.799 1.00 0.19 C ATOM 582 O GLU A 37 1.844 2.173 30.101 1.00 0.20 O ATOM 583 CB GLU A 37 3.593 4.677 30.852 1.00 0.25 C ATOM 584 CG GLU A 37 4.082 5.232 29.514 1.00 0.26 C ATOM 585 CD GLU A 37 5.607 5.367 29.544 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.193 5.012 30.554 1.00 1.17 O ATOM 587 OE2 GLU A 37 6.160 5.823 28.558 1.00 1.08 O ATOM 0 H GLU A 37 2.273 3.342 32.605 1.00 0.19 H new ATOM 0 HA GLU A 37 1.564 5.355 30.458 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.837 5.371 31.657 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.100 3.739 31.076 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.781 4.570 28.702 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.624 6.202 29.321 1.00 0.26 H new ATOM 594 N ILE A 38 1.215 3.708 28.661 1.00 0.21 N ATOM 595 CA ILE A 38 0.736 2.684 27.691 1.00 0.20 C ATOM 596 C ILE A 38 1.631 2.663 26.451 1.00 0.20 C ATOM 597 O ILE A 38 1.970 3.692 25.894 1.00 0.24 O ATOM 598 CB ILE A 38 -0.680 3.124 27.320 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.531 3.226 28.588 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.303 2.098 26.371 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.911 3.783 28.234 1.00 0.84 C ATOM 0 H ILE A 38 1.101 4.676 28.359 1.00 0.21 H new ATOM 0 HA ILE A 38 0.757 1.679 28.112 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.640 4.096 26.828 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.631 2.244 29.051 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.042 3.873 29.316 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.313 2.413 26.107 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.698 2.024 25.467 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.343 1.126 26.862 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.517 3.855 29.137 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.801 4.773 27.790 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.400 3.118 27.522 1.00 0.84 H new ATOM 613 N TYR A 39 2.031 1.491 26.043 1.00 0.19 N ATOM 614 CA TYR A 39 2.932 1.350 24.867 1.00 0.21 C ATOM 615 C TYR A 39 2.209 0.615 23.735 1.00 0.20 C ATOM 616 O TYR A 39 1.335 -0.193 23.975 1.00 0.20 O ATOM 617 CB TYR A 39 4.087 0.493 25.377 1.00 0.24 C ATOM 618 CG TYR A 39 5.041 1.325 26.189 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.633 1.895 27.400 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.343 1.510 25.730 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.536 2.661 28.151 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.247 2.272 26.475 1.00 0.36 C ATOM 623 CZ TYR A 39 6.844 2.849 27.687 1.00 0.39 C ATOM 624 OH TYR A 39 7.736 3.607 28.419 1.00 0.45 O ATOM 0 H TYR A 39 1.766 0.610 26.483 1.00 0.19 H new ATOM 0 HA TYR A 39 3.258 2.313 24.475 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.700 -0.325 25.985 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.613 0.043 24.535 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.624 1.745 27.756 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.654 1.064 24.797 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.224 3.105 29.085 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.256 2.416 26.117 1.00 0.36 H new ATOM 0 HH TYR A 39 8.599 3.635 27.955 1.00 0.45 H new ATOM 634 N VAL A 40 2.654 0.780 22.521 1.00 0.21 N ATOM 635 CA VAL A 40 2.076 -0.033 21.411 1.00 0.22 C ATOM 636 C VAL A 40 3.186 -0.690 20.585 1.00 0.22 C ATOM 637 O VAL A 40 4.044 -0.025 20.039 1.00 0.23 O ATOM 638 CB VAL A 40 1.292 0.961 20.555 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.744 0.246 19.321 1.00 0.27 C ATOM 640 CG2 VAL A 40 0.131 1.527 21.375 1.00 0.27 C ATOM 0 H VAL A 40 3.386 1.436 22.249 1.00 0.21 H new ATOM 0 HA VAL A 40 1.446 -0.840 21.785 1.00 0.22 H new ATOM 0 HB VAL A 40 1.948 1.773 20.242 1.00 0.25 H new ATOM 0 HG11 VAL A 40 0.184 0.953 18.709 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.571 -0.162 18.740 1.00 0.27 H new ATOM 0 HG13 VAL A 40 0.085 -0.564 19.633 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.431 2.237 20.768 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.526 0.714 21.685 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.522 2.034 22.257 1.00 0.27 H new ATOM 650 N ASP A 41 3.149 -1.988 20.455 1.00 0.21 N ATOM 651 CA ASP A 41 4.169 -2.687 19.622 1.00 0.22 C ATOM 652 C ASP A 41 3.553 -3.921 18.953 1.00 0.25 C ATOM 653 O ASP A 41 2.873 -4.700 19.584 1.00 0.27 O ATOM 654 CB ASP A 41 5.266 -3.101 20.602 1.00 0.20 C ATOM 655 CG ASP A 41 4.778 -4.275 21.452 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.600 -4.303 21.767 1.00 1.77 O ATOM 657 OD2 ASP A 41 5.590 -5.129 21.770 1.00 1.69 O ATOM 0 H ASP A 41 2.455 -2.596 20.890 1.00 0.21 H new ATOM 0 HA ASP A 41 4.554 -2.052 18.824 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.167 -3.383 20.057 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.531 -2.260 21.243 1.00 0.20 H new ATOM 662 N ASP A 42 3.877 -4.163 17.713 1.00 0.27 N ATOM 663 CA ASP A 42 3.408 -5.412 17.044 1.00 0.33 C ATOM 664 C ASP A 42 1.931 -5.689 17.360 1.00 0.33 C ATOM 665 O ASP A 42 1.548 -6.810 17.627 1.00 0.37 O ATOM 666 CB ASP A 42 4.295 -6.511 17.622 1.00 0.38 C ATOM 667 CG ASP A 42 3.868 -7.866 17.054 1.00 0.45 C ATOM 668 OD1 ASP A 42 3.027 -7.878 16.169 1.00 1.14 O ATOM 669 OD2 ASP A 42 4.390 -8.870 17.512 1.00 1.22 O ATOM 0 H ASP A 42 4.448 -3.549 17.132 1.00 0.27 H new ATOM 0 HA ASP A 42 3.478 -5.345 15.958 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.339 -6.316 17.378 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.218 -6.520 18.709 1.00 0.38 H new ATOM 674 N GLU A 43 1.089 -4.697 17.244 1.00 0.30 N ATOM 675 CA GLU A 43 -0.377 -4.923 17.435 1.00 0.31 C ATOM 676 C GLU A 43 -0.671 -5.399 18.862 1.00 0.30 C ATOM 677 O GLU A 43 -1.786 -5.749 19.192 1.00 0.31 O ATOM 678 CB GLU A 43 -0.751 -6.005 16.420 1.00 0.35 C ATOM 679 CG GLU A 43 -2.274 -6.138 16.353 1.00 1.17 C ATOM 680 CD GLU A 43 -2.868 -4.885 15.710 1.00 1.34 C ATOM 681 OE1 GLU A 43 -2.158 -4.231 14.966 1.00 1.68 O ATOM 682 OE2 GLU A 43 -4.025 -4.599 15.973 1.00 1.93 O ATOM 0 H GLU A 43 1.352 -3.736 17.025 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.951 -4.008 17.287 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.354 -5.750 15.437 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -0.304 -6.957 16.706 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -2.547 -7.021 15.775 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -2.682 -6.274 17.355 1.00 1.17 H new ATOM 689 N LYS A 44 0.301 -5.338 19.726 1.00 0.29 N ATOM 690 CA LYS A 44 0.057 -5.703 21.151 1.00 0.30 C ATOM 691 C LYS A 44 0.257 -4.479 22.046 1.00 0.27 C ATOM 692 O LYS A 44 1.045 -3.605 21.749 1.00 0.26 O ATOM 693 CB LYS A 44 1.097 -6.774 21.479 1.00 0.34 C ATOM 694 CG LYS A 44 0.786 -8.051 20.697 1.00 1.29 C ATOM 695 CD LYS A 44 1.742 -9.161 21.136 1.00 1.23 C ATOM 696 CE LYS A 44 1.450 -10.435 20.340 1.00 1.90 C ATOM 697 NZ LYS A 44 2.781 -10.903 19.862 1.00 2.01 N ATOM 0 H LYS A 44 1.255 -5.051 19.509 1.00 0.29 H new ATOM 0 HA LYS A 44 -0.959 -6.062 21.314 1.00 0.30 H new ATOM 0 HB2 LYS A 44 2.095 -6.415 21.226 1.00 0.34 H new ATOM 0 HB3 LYS A 44 1.094 -6.982 22.549 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.246 -8.355 20.871 1.00 1.29 H new ATOM 0 HG3 LYS A 44 0.889 -7.870 19.627 1.00 1.29 H new ATOM 0 HD2 LYS A 44 2.774 -8.849 20.977 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.627 -9.353 22.203 1.00 1.23 H new ATOM 0 HE2 LYS A 44 0.967 -11.188 20.963 1.00 1.90 H new ATOM 0 HE3 LYS A 44 0.779 -10.234 19.505 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 2.664 -11.775 19.307 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 3.214 -10.169 19.266 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.396 -11.093 20.679 1.00 2.01 H new ATOM 711 N ILE A 45 -0.467 -4.395 23.125 1.00 0.28 N ATOM 712 CA ILE A 45 -0.333 -3.211 24.020 1.00 0.27 C ATOM 713 C ILE A 45 0.562 -3.553 25.215 1.00 0.27 C ATOM 714 O ILE A 45 0.328 -4.515 25.918 1.00 0.29 O ATOM 715 CB ILE A 45 -1.757 -2.920 24.491 1.00 0.30 C ATOM 716 CG1 ILE A 45 -2.669 -2.747 23.275 1.00 0.34 C ATOM 717 CG2 ILE A 45 -1.767 -1.634 25.320 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.128 -2.780 23.727 1.00 1.25 C ATOM 0 H ILE A 45 -1.146 -5.094 23.427 1.00 0.28 H new ATOM 0 HA ILE A 45 0.119 -2.357 23.516 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.115 -3.749 25.101 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -2.453 -1.803 22.776 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.483 -3.540 22.551 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -2.783 -1.426 25.656 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.116 -1.754 26.186 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -1.410 -0.805 24.709 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -4.780 -2.657 22.862 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.339 -3.736 24.207 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.308 -1.971 24.435 1.00 1.25 H new ATOM 730 N ILE A 46 1.549 -2.742 25.480 1.00 0.26 N ATOM 731 CA ILE A 46 2.419 -2.982 26.669 1.00 0.29 C ATOM 732 C ILE A 46 2.151 -1.922 27.741 1.00 0.29 C ATOM 733 O ILE A 46 2.401 -0.753 27.548 1.00 0.31 O ATOM 734 CB ILE A 46 3.852 -2.868 26.136 1.00 0.32 C ATOM 735 CG1 ILE A 46 4.180 -4.109 25.306 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.838 -2.752 27.302 1.00 0.37 C ATOM 737 CD1 ILE A 46 5.230 -3.749 24.258 1.00 0.50 C ATOM 0 H ILE A 46 1.792 -1.922 24.924 1.00 0.26 H new ATOM 0 HA ILE A 46 2.234 -3.951 27.133 1.00 0.29 H new ATOM 0 HB ILE A 46 3.936 -1.977 25.514 1.00 0.32 H new ATOM 0 HG12 ILE A 46 4.551 -4.905 25.951 1.00 0.44 H new ATOM 0 HG13 ILE A 46 3.279 -4.485 24.821 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.853 -2.672 26.913 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.603 -1.865 27.890 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.760 -3.637 27.934 1.00 0.37 H new ATOM 0 HD11 ILE A 46 5.468 -4.631 23.663 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.841 -2.966 23.607 1.00 0.50 H new ATOM 0 HD13 ILE A 46 6.132 -3.392 24.755 1.00 0.50 H new ATOM 749 N LEU A 47 1.655 -2.325 28.877 1.00 0.28 N ATOM 750 CA LEU A 47 1.391 -1.338 29.962 1.00 0.29 C ATOM 751 C LEU A 47 2.400 -1.524 31.094 1.00 0.31 C ATOM 752 O LEU A 47 2.661 -2.627 31.530 1.00 0.39 O ATOM 753 CB LEU A 47 -0.018 -1.647 30.459 1.00 0.34 C ATOM 754 CG LEU A 47 -1.012 -1.549 29.299 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.926 -2.812 28.440 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.430 -1.409 29.857 1.00 1.24 C ATOM 0 H LEU A 47 1.421 -3.292 29.101 1.00 0.28 H new ATOM 0 HA LEU A 47 1.480 -0.311 29.609 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.049 -2.647 30.893 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.296 -0.948 31.248 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.771 -0.679 28.688 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.635 -2.740 27.615 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.084 -2.914 28.043 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.166 -3.683 29.049 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.140 -1.339 29.033 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.668 -2.280 30.468 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.493 -0.509 30.468 1.00 1.24 H new ATOM 768 N LYS A 48 2.970 -0.455 31.567 1.00 0.29 N ATOM 769 CA LYS A 48 3.968 -0.566 32.669 1.00 0.35 C ATOM 770 C LYS A 48 3.838 0.620 33.626 1.00 0.28 C ATOM 771 O LYS A 48 3.239 1.625 33.302 1.00 0.25 O ATOM 772 CB LYS A 48 5.334 -0.555 31.982 1.00 0.47 C ATOM 773 CG LYS A 48 5.576 0.804 31.319 1.00 0.65 C ATOM 774 CD LYS A 48 6.945 0.791 30.637 1.00 0.85 C ATOM 775 CE LYS A 48 7.483 2.220 30.549 1.00 1.54 C ATOM 776 NZ LYS A 48 7.858 2.576 31.945 1.00 1.74 N ATOM 0 H LYS A 48 2.789 0.494 31.239 1.00 0.29 H new ATOM 0 HA LYS A 48 3.822 -1.469 33.262 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.118 -0.758 32.711 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.381 -1.347 31.235 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.794 1.011 30.588 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.534 1.599 32.064 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.637 0.164 31.199 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.862 0.360 29.639 1.00 0.85 H new ATOM 0 HE2 LYS A 48 8.343 2.278 29.882 1.00 1.54 H new ATOM 0 HE3 LYS A 48 6.729 2.902 30.156 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.660 3.238 31.931 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 7.048 3.024 32.419 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 8.129 1.715 32.462 1.00 1.74 H new ATOM 790 N LYS A 49 4.434 0.531 34.784 1.00 0.28 N ATOM 791 CA LYS A 49 4.383 1.682 35.731 1.00 0.25 C ATOM 792 C LYS A 49 4.935 2.937 35.056 1.00 0.22 C ATOM 793 O LYS A 49 5.772 2.864 34.179 1.00 0.24 O ATOM 794 CB LYS A 49 5.265 1.275 36.909 1.00 0.29 C ATOM 795 CG LYS A 49 5.210 2.357 37.988 1.00 0.30 C ATOM 796 CD LYS A 49 6.145 1.980 39.139 1.00 0.54 C ATOM 797 CE LYS A 49 5.972 2.977 40.286 1.00 1.08 C ATOM 798 NZ LYS A 49 6.829 4.139 39.919 1.00 1.65 N ATOM 0 H LYS A 49 4.951 -0.284 35.114 1.00 0.28 H new ATOM 0 HA LYS A 49 3.366 1.909 36.050 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.927 0.322 37.317 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.293 1.132 36.575 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.503 3.319 37.568 1.00 0.30 H new ATOM 0 HG3 LYS A 49 4.190 2.467 38.356 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.924 0.970 39.485 1.00 0.54 H new ATOM 0 HD3 LYS A 49 7.180 1.980 38.796 1.00 0.54 H new ATOM 0 HE2 LYS A 49 4.929 3.275 40.396 1.00 1.08 H new ATOM 0 HE3 LYS A 49 6.282 2.543 41.237 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.816 4.837 40.690 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 7.805 3.815 39.761 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 6.465 4.578 39.049 1.00 1.65 H new ATOM 812 N TYR A 50 4.411 4.075 35.397 1.00 0.20 N ATOM 813 CA TYR A 50 4.838 5.325 34.707 1.00 0.21 C ATOM 814 C TYR A 50 5.807 6.120 35.582 1.00 0.22 C ATOM 815 O TYR A 50 5.450 6.611 36.636 1.00 0.22 O ATOM 816 CB TYR A 50 3.546 6.111 34.485 1.00 0.20 C ATOM 817 CG TYR A 50 3.859 7.413 33.785 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.932 7.487 32.890 1.00 0.26 C ATOM 819 CD2 TYR A 50 3.077 8.545 34.035 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.221 8.696 32.246 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.365 9.752 33.392 1.00 0.28 C ATOM 822 CZ TYR A 50 4.438 9.829 32.496 1.00 0.30 C ATOM 823 OH TYR A 50 4.724 11.020 31.861 1.00 0.35 O ATOM 0 H TYR A 50 3.705 4.198 36.123 1.00 0.20 H new ATOM 0 HA TYR A 50 5.361 5.120 33.773 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.849 5.523 33.887 1.00 0.20 H new ATOM 0 HB3 TYR A 50 3.059 6.308 35.440 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.536 6.613 32.696 1.00 0.26 H new ATOM 0 HD2 TYR A 50 2.249 8.486 34.726 1.00 0.24 H new ATOM 0 HE1 TYR A 50 6.049 8.755 31.555 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.760 10.625 33.586 1.00 0.28 H new ATOM 0 HH TYR A 50 4.083 11.705 32.146 1.00 0.35 H new ATOM 995 N VAL B 9 -0.059 8.153 28.660 1.00 0.32 N ATOM 996 CA VAL B 9 -0.317 7.648 30.042 1.00 0.29 C ATOM 997 C VAL B 9 -1.743 7.988 30.487 1.00 0.32 C ATOM 998 O VAL B 9 -2.262 9.048 30.201 1.00 0.37 O ATOM 999 CB VAL B 9 0.708 8.357 30.925 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.495 7.947 32.384 1.00 0.27 C ATOM 1001 CG2 VAL B 9 2.121 7.958 30.490 1.00 0.30 C ATOM 0 HA VAL B 9 -0.225 6.564 30.102 1.00 0.29 H new ATOM 0 HB VAL B 9 0.586 9.436 30.826 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.226 8.453 33.015 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.510 8.228 32.698 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.617 6.868 32.480 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.852 8.464 31.120 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.241 6.879 30.589 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.277 8.246 29.450 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.358 7.105 31.226 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.730 7.377 31.744 1.00 0.36 C ATOM 1013 C ARG B 10 -3.768 7.144 33.257 1.00 0.31 C ATOM 1014 O ARG B 10 -2.918 6.479 33.810 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.635 6.377 31.023 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.096 6.657 31.383 1.00 0.74 C ATOM 1017 CD ARG B 10 -6.997 5.622 30.706 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.386 6.060 31.017 1.00 1.14 N ATOM 1019 CZ ARG B 10 -8.883 7.124 30.444 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.164 7.809 29.596 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.100 7.503 30.721 1.00 1.92 N ATOM 0 H ARG B 10 -1.967 6.202 31.495 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.046 8.405 31.568 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.494 6.455 29.945 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.368 5.359 31.307 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.229 6.618 32.464 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.374 7.661 31.063 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.824 5.591 29.630 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.804 4.620 31.089 1.00 0.87 H new ATOM 0 HE ARG B 10 -8.951 5.528 31.679 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.212 7.514 29.379 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.554 8.639 29.150 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.662 6.969 31.384 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.490 8.333 30.275 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.725 7.713 33.937 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.783 7.544 35.418 1.00 0.30 C ATOM 1037 C LYS B 11 -5.491 6.233 35.779 1.00 0.26 C ATOM 1038 O LYS B 11 -6.383 5.786 35.083 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.583 8.744 35.925 1.00 0.34 C ATOM 1040 CG LYS B 11 -7.042 8.608 35.489 1.00 1.03 C ATOM 1041 CD LYS B 11 -7.814 9.868 35.889 1.00 1.03 C ATOM 1042 CE LYS B 11 -9.317 9.612 35.749 1.00 1.81 C ATOM 1043 NZ LYS B 11 -9.755 9.158 37.098 1.00 2.21 N ATOM 0 H LYS B 11 -5.467 8.286 33.534 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.790 7.499 35.865 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -5.521 8.802 37.012 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -5.160 9.668 35.532 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -7.098 8.461 34.410 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -7.491 7.730 35.954 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -7.575 10.143 36.916 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -7.517 10.705 35.258 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -9.845 10.516 35.445 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -9.520 8.855 34.992 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -10.776 8.962 37.084 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -9.240 8.292 37.357 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -9.555 9.902 37.797 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.103 5.618 36.863 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.755 4.339 37.273 1.00 0.22 C ATOM 1059 C VAL B 12 -7.048 4.637 38.033 1.00 0.20 C ATOM 1060 O VAL B 12 -7.064 5.426 38.955 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.749 3.658 38.202 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.131 2.187 38.380 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.344 3.751 37.606 1.00 0.29 C ATOM 0 H VAL B 12 -4.362 5.945 37.483 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.012 3.714 36.418 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.762 4.158 39.170 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.414 1.702 39.042 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.128 2.120 38.814 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.123 1.689 37.410 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.633 3.264 38.273 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.327 3.257 36.635 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.069 4.799 37.485 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.132 4.013 37.661 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.411 4.278 38.376 1.00 0.21 C ATOM 1075 C ASP B 13 -9.508 3.398 39.630 1.00 0.22 C ATOM 1076 O ASP B 13 -8.539 2.800 40.053 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.519 3.953 37.362 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.932 2.483 37.471 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.277 1.651 36.867 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.896 2.210 38.163 1.00 0.55 O ATOM 0 H ASP B 13 -8.187 3.337 36.899 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.491 5.309 38.722 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.383 4.594 37.541 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.169 4.164 36.352 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.623 3.435 40.304 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.721 2.741 41.622 1.00 0.26 C ATOM 1087 C GLU B 14 -10.375 1.250 41.504 1.00 0.26 C ATOM 1088 O GLU B 14 -9.825 0.667 42.416 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.179 2.916 42.049 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.474 4.402 42.264 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.913 4.572 42.753 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.642 3.593 42.740 1.00 2.19 O ATOM 1093 OE2 GLU B 14 -14.262 5.677 43.134 1.00 1.99 O ATOM 0 H GLU B 14 -11.471 3.915 40.001 1.00 0.23 H new ATOM 0 HA GLU B 14 -10.018 3.157 42.344 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.843 2.509 41.287 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.369 2.360 42.967 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.779 4.820 42.993 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -12.328 4.951 41.334 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.796 0.601 40.454 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.598 -0.878 40.379 1.00 0.25 C ATOM 1102 C LEU B 15 -9.216 -1.235 39.815 1.00 0.23 C ATOM 1103 O LEU B 15 -8.864 -2.393 39.717 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.697 -1.387 39.449 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.498 -2.885 39.203 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.254 -3.597 40.539 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.749 -3.464 38.541 1.00 1.39 C ATOM 0 H LEU B 15 -11.264 1.023 39.652 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.650 -1.331 41.369 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.677 -1.206 39.892 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.670 -0.845 38.504 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.638 -3.033 38.550 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -11.113 -4.663 40.363 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.362 -3.186 41.013 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -12.113 -3.448 41.193 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.607 -4.530 38.366 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.609 -3.315 39.194 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.924 -2.960 37.590 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.444 -0.269 39.405 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.115 -0.595 38.811 1.00 0.20 C ATOM 1121 C GLY B 16 -7.299 -1.034 37.356 1.00 0.21 C ATOM 1122 O GLY B 16 -6.788 -2.056 36.930 1.00 0.21 O ATOM 0 H GLY B 16 -8.671 0.724 39.454 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.460 0.275 38.859 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.634 -1.388 39.383 1.00 0.20 H new ATOM 1126 N ARG B 17 -8.063 -0.299 36.599 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.320 -0.698 35.189 1.00 0.27 C ATOM 1128 C ARG B 17 -7.753 0.357 34.235 1.00 0.26 C ATOM 1129 O ARG B 17 -7.608 1.511 34.586 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.842 -0.772 35.071 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.366 -1.904 35.958 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.884 -2.011 35.810 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.416 -0.775 36.444 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.682 -0.699 36.766 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.488 -1.690 36.498 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.144 0.369 37.359 1.00 1.14 N ATOM 0 H ARG B 17 -8.521 0.562 36.897 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.848 -1.646 34.931 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.288 0.176 35.371 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -10.129 -0.945 34.034 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.896 -2.847 35.678 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -10.104 -1.715 36.999 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.176 -2.075 34.762 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.267 -2.905 36.302 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.794 0.013 36.628 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -14.132 -2.527 36.036 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.474 -1.628 36.750 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.518 1.145 37.572 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.131 0.427 37.609 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.438 -0.030 33.032 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.886 0.951 32.054 1.00 0.26 C ATOM 1152 C VAL B 18 -7.753 0.971 30.795 1.00 0.24 C ATOM 1153 O VAL B 18 -8.416 0.006 30.474 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.481 0.444 31.732 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.670 0.331 33.023 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.577 -0.932 31.069 1.00 0.26 C ATOM 0 H VAL B 18 -7.538 -0.983 32.682 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.867 1.967 32.448 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.989 1.142 31.055 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.668 -0.031 32.793 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.602 1.310 33.497 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.161 -0.367 33.701 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.576 -1.295 30.838 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -6.069 -1.629 31.747 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -6.155 -0.853 30.148 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.815 2.086 30.123 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.717 2.189 28.941 1.00 0.22 C ATOM 1168 C VAL B 19 -7.901 2.330 27.655 1.00 0.22 C ATOM 1169 O VAL B 19 -7.002 3.141 27.564 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.546 3.448 29.187 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.638 3.559 28.123 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -10.189 3.370 30.574 1.00 0.24 C ATOM 0 H VAL B 19 -7.282 2.928 30.339 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.340 1.303 28.822 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.900 4.324 29.134 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -11.229 4.458 28.300 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -10.180 3.615 27.136 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.286 2.684 28.174 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.781 4.268 30.752 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.834 2.493 30.627 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.410 3.293 31.332 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.262 1.601 26.634 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.565 1.756 25.328 1.00 0.24 C ATOM 1184 C ILE B 20 -8.192 2.915 24.544 1.00 0.24 C ATOM 1185 O ILE B 20 -9.393 2.997 24.429 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.792 0.418 24.613 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.738 -0.589 25.081 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.677 0.600 23.098 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -5.362 -0.165 24.564 1.00 1.38 C ATOM 0 H ILE B 20 -9.009 0.906 26.649 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.504 1.984 25.431 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.791 0.053 24.852 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.729 -0.642 26.170 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -6.984 -1.586 24.715 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.840 -0.357 22.603 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.426 1.316 22.760 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.683 0.971 22.851 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -4.611 -0.882 24.897 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -5.376 -0.134 23.475 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -5.117 0.824 24.952 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.351 3.746 23.991 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.838 4.874 23.159 1.00 0.30 C ATOM 1203 C PRO B 21 -8.667 4.343 21.985 1.00 0.28 C ATOM 1204 O PRO B 21 -8.386 3.294 21.442 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.561 5.557 22.661 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.442 4.606 22.960 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.892 3.714 24.084 1.00 0.32 C ATOM 0 HA PRO B 21 -8.482 5.559 23.710 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.621 5.766 21.593 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -6.407 6.512 23.164 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -5.195 4.015 22.078 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.541 5.151 23.241 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.506 2.701 23.970 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.544 4.081 25.050 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.703 5.042 21.607 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.562 4.549 20.492 1.00 0.30 C ATOM 1217 C ILE B 22 -9.717 4.291 19.243 1.00 0.33 C ATOM 1218 O ILE B 22 -9.980 3.381 18.484 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.565 5.673 20.234 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.676 5.166 19.311 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.852 6.853 19.571 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.467 4.065 20.018 1.00 1.11 C ATOM 0 H ILE B 22 -9.991 5.929 22.020 1.00 0.30 H new ATOM 0 HA ILE B 22 -11.056 3.610 20.741 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.998 5.995 21.181 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -13.339 5.987 19.039 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -12.247 4.782 18.385 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.568 7.654 19.387 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -10.062 7.216 20.228 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.418 6.531 18.625 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -14.258 3.705 19.360 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.799 3.240 20.268 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.909 4.464 20.931 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.688 5.061 19.038 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.816 4.826 17.853 1.00 0.40 C ATOM 1236 C GLU B 23 -7.260 3.402 17.895 1.00 0.37 C ATOM 1237 O GLU B 23 -7.128 2.742 16.884 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.688 5.848 17.984 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.801 5.792 16.739 1.00 1.22 C ATOM 1240 CD GLU B 23 -4.613 6.740 16.914 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.519 7.352 17.965 1.00 2.37 O ATOM 1242 OE2 GLU B 23 -3.817 6.836 15.995 1.00 2.00 O ATOM 0 H GLU B 23 -8.412 5.840 19.636 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.352 4.934 16.910 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -7.102 6.849 18.104 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -6.096 5.640 18.875 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -5.446 4.774 16.578 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -6.377 6.072 15.857 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.959 2.917 19.069 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.441 1.527 19.198 1.00 0.33 C ATOM 1251 C LEU B 24 -7.591 0.518 19.182 1.00 0.29 C ATOM 1252 O LEU B 24 -7.454 -0.576 18.675 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.708 1.499 20.538 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.490 2.423 20.471 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.676 2.291 21.760 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.619 2.030 19.276 1.00 1.75 C ATOM 0 H LEU B 24 -7.050 3.427 19.948 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.784 1.256 18.371 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.377 1.818 21.337 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.394 0.482 20.772 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.823 3.455 20.356 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.809 2.949 21.712 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.296 2.570 22.612 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.343 1.260 21.876 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.751 2.687 19.227 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.287 0.998 19.391 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -4.198 2.124 18.357 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.748 0.896 19.660 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.907 -0.038 19.572 1.00 0.23 C ATOM 1270 C ARG B 25 -10.139 -0.410 18.108 1.00 0.26 C ATOM 1271 O ARG B 25 -10.392 -1.551 17.776 1.00 0.25 O ATOM 1272 CB ARG B 25 -11.118 0.737 20.103 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.902 1.145 21.563 1.00 0.21 C ATOM 1274 CD ARG B 25 -12.215 1.710 22.119 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.825 2.522 23.304 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.633 3.439 23.766 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.796 3.633 23.206 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -12.276 4.160 24.794 1.00 0.27 N ATOM 0 H ARG B 25 -8.938 1.796 20.100 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.738 -0.952 20.141 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.284 1.625 19.493 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -12.014 0.122 20.021 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.582 0.285 22.152 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -10.111 1.891 21.633 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.726 2.321 21.375 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.900 0.910 22.399 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.925 2.362 23.756 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -14.077 3.068 22.405 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.424 4.350 23.570 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.369 4.007 25.234 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.904 4.877 25.157 1.00 0.27 H new ATOM 1292 N ARG B 26 -10.078 0.555 17.232 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.321 0.274 15.789 1.00 0.33 C ATOM 1294 C ARG B 26 -9.154 -0.516 15.188 1.00 0.35 C ATOM 1295 O ARG B 26 -9.344 -1.500 14.503 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.429 1.650 15.133 1.00 0.37 C ATOM 1297 CG ARG B 26 -10.784 1.486 13.654 1.00 1.07 C ATOM 1298 CD ARG B 26 -10.830 2.861 12.984 1.00 1.25 C ATOM 1299 NE ARG B 26 -11.292 2.595 11.593 1.00 1.86 N ATOM 1300 CZ ARG B 26 -10.466 2.096 10.712 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -9.232 1.828 11.046 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -10.875 1.867 9.494 1.00 3.27 N ATOM 0 H ARG B 26 -9.870 1.528 17.454 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.217 -0.327 15.635 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -11.191 2.245 15.636 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -9.486 2.187 15.234 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -10.046 0.854 13.160 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.749 0.988 13.554 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -11.513 3.532 13.505 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -9.849 3.336 12.990 1.00 1.25 H new ATOM 0 HE ARG B 26 -12.255 2.803 11.328 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -8.910 2.008 11.997 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -8.590 1.439 10.356 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -11.838 2.078 9.231 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -10.232 1.478 8.805 1.00 3.27 H new ATOM 1316 N THR B 27 -7.949 -0.061 15.402 1.00 0.37 N ATOM 1317 CA THR B 27 -6.770 -0.748 14.797 1.00 0.41 C ATOM 1318 C THR B 27 -6.635 -2.178 15.332 1.00 0.39 C ATOM 1319 O THR B 27 -6.136 -3.056 14.657 1.00 0.42 O ATOM 1320 CB THR B 27 -5.564 0.098 15.210 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.772 1.443 14.803 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.302 -0.450 14.542 1.00 0.77 C ATOM 0 H THR B 27 -7.729 0.757 15.970 1.00 0.37 H new ATOM 0 HA THR B 27 -6.861 -0.833 13.714 1.00 0.41 H new ATOM 0 HB THR B 27 -5.445 0.059 16.293 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.205 1.941 15.528 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.443 0.153 14.837 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.144 -1.483 14.854 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.418 -0.412 13.459 1.00 0.77 H new ATOM 1330 N LEU B 28 -7.014 -2.406 16.558 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.839 -3.766 17.146 1.00 0.35 C ATOM 1332 C LEU B 28 -8.050 -4.652 16.831 1.00 0.33 C ATOM 1333 O LEU B 28 -8.059 -5.831 17.127 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.714 -3.535 18.652 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.281 -4.833 19.333 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.822 -5.134 18.982 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.418 -4.682 20.850 1.00 1.05 C ATOM 0 H LEU B 28 -7.436 -1.714 17.177 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.967 -4.278 16.739 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.987 -2.748 18.851 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.667 -3.199 19.059 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.913 -5.651 18.989 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.514 -6.060 19.468 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.722 -5.241 17.902 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.189 -4.316 19.326 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -6.110 -5.607 21.337 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.786 -3.863 21.193 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.457 -4.468 21.102 1.00 1.05 H new ATOM 1349 N GLY B 29 -9.065 -4.105 16.221 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.257 -4.933 15.875 1.00 0.32 C ATOM 1351 C GLY B 29 -10.936 -5.413 17.158 1.00 0.29 C ATOM 1352 O GLY B 29 -11.312 -6.562 17.279 1.00 0.29 O ATOM 0 H GLY B 29 -9.122 -3.124 15.947 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.957 -4.349 15.277 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.956 -5.787 15.269 1.00 0.32 H new ATOM 1356 N ILE B 30 -11.065 -4.554 18.131 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.685 -4.978 19.419 1.00 0.24 C ATOM 1358 C ILE B 30 -12.986 -4.216 19.671 1.00 0.23 C ATOM 1359 O ILE B 30 -13.096 -3.035 19.405 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.652 -4.644 20.493 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.349 -5.387 20.192 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.181 -5.077 21.861 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.649 -6.870 19.960 1.00 0.30 C ATOM 0 H ILE B 30 -10.769 -3.579 18.091 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.940 -6.038 19.414 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.466 -3.570 20.499 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.869 -4.960 19.311 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.652 -5.272 21.022 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.444 -4.839 22.628 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -12.111 -4.550 22.075 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.366 -6.151 21.856 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.721 -7.400 19.745 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.110 -7.292 20.853 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.330 -6.976 19.116 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.984 -4.901 20.155 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.302 -4.254 20.400 1.00 0.23 C ATOM 1377 C ALA B 31 -15.911 -4.784 21.702 1.00 0.20 C ATOM 1378 O ALA B 31 -15.455 -5.764 22.258 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.167 -4.656 19.208 1.00 0.23 C ATOM 0 H ALA B 31 -13.942 -5.892 20.394 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.220 -3.172 20.499 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.159 -4.217 19.314 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.707 -4.296 18.287 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.253 -5.742 19.171 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.932 -4.142 22.196 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.560 -4.609 23.466 1.00 0.21 C ATOM 1387 C GLU B 32 -17.936 -6.091 23.367 1.00 0.19 C ATOM 1388 O GLU B 32 -18.344 -6.570 22.330 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.815 -3.750 23.622 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.478 -4.055 24.966 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.792 -3.279 25.076 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -21.118 -2.570 24.138 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.449 -3.407 26.095 1.00 1.13 O ATOM 0 H GLU B 32 -17.359 -3.316 21.777 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.885 -4.512 24.317 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.555 -2.693 23.564 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.510 -3.952 22.807 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.667 -5.125 25.056 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.811 -3.779 25.783 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.849 -6.801 24.465 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.257 -8.242 24.490 1.00 0.20 C ATOM 1402 C LYS B 33 -17.215 -9.125 23.791 1.00 0.18 C ATOM 1403 O LYS B 33 -17.277 -10.337 23.863 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.598 -8.309 23.755 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.305 -9.618 24.108 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.617 -9.717 23.329 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.401 -10.944 23.800 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.736 -10.819 23.152 1.00 1.88 N ATOM 0 H LYS B 33 -17.509 -6.440 25.356 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.338 -8.610 25.513 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.221 -7.459 24.034 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.439 -8.248 22.678 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.663 -10.466 23.869 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.502 -9.660 25.179 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.210 -8.815 23.479 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.413 -9.791 22.261 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -21.904 -11.868 23.504 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -22.490 -10.963 24.886 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -24.332 -11.625 23.427 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -24.188 -9.934 23.457 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -23.621 -10.810 22.118 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.207 -8.542 23.205 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.116 -9.372 22.614 1.00 0.16 C ATOM 1424 C ASP B 34 -14.191 -9.886 23.719 1.00 0.19 C ATOM 1425 O ASP B 34 -14.272 -9.458 24.852 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.362 -8.441 21.669 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.210 -8.194 20.422 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.236 -8.841 20.287 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.817 -7.363 19.623 1.00 1.09 O ATOM 0 H ASP B 34 -16.090 -7.533 23.109 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.503 -10.245 22.089 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.144 -7.497 22.168 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.405 -8.883 21.391 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.363 -10.850 23.417 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.494 -11.439 24.475 1.00 0.28 C ATOM 1436 C ALA B 35 -11.055 -10.933 24.342 1.00 0.20 C ATOM 1437 O ALA B 35 -10.442 -11.036 23.299 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.556 -12.948 24.237 1.00 0.36 C ATOM 0 H ALA B 35 -13.251 -11.253 22.487 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.826 -11.164 25.476 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -11.940 -13.459 24.977 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.588 -13.288 24.326 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.185 -13.174 23.238 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.482 -10.474 25.423 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.049 -10.063 25.402 1.00 0.21 C ATOM 1446 C LEU B 36 -8.213 -11.089 26.167 1.00 0.19 C ATOM 1447 O LEU B 36 -8.589 -11.514 27.238 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.007 -8.724 26.137 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.095 -7.795 25.604 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.345 -6.691 26.630 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.635 -7.173 24.283 1.00 0.56 C ATOM 0 H LEU B 36 -10.948 -10.366 26.324 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.655 -9.991 24.388 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.147 -8.883 27.206 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.029 -8.261 26.009 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.013 -8.357 25.433 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.121 -6.020 26.261 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.668 -7.136 27.572 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.425 -6.129 26.791 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.412 -6.510 23.903 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.721 -6.603 24.448 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.444 -7.962 23.556 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.033 -11.388 25.707 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.139 -12.269 26.511 1.00 0.20 C ATOM 1465 C GLU B 37 -5.019 -11.439 27.141 1.00 0.18 C ATOM 1466 O GLU B 37 -4.514 -10.506 26.547 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.577 -13.291 25.524 1.00 0.24 C ATOM 1468 CG GLU B 37 -4.743 -14.327 26.280 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.101 -15.293 25.283 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.298 -15.103 24.094 1.00 1.17 O ATOM 1471 OE2 GLU B 37 -3.423 -16.205 25.725 1.00 1.07 O ATOM 0 H GLU B 37 -6.650 -11.066 24.819 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.667 -12.760 27.328 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.391 -13.783 24.991 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -4.963 -12.790 24.776 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -3.972 -13.829 26.868 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.373 -14.876 26.980 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.708 -11.704 28.378 1.00 0.20 N ATOM 1479 CA ILE B 38 -3.717 -10.862 29.102 1.00 0.20 C ATOM 1480 C ILE B 38 -2.436 -11.655 29.366 1.00 0.19 C ATOM 1481 O ILE B 38 -2.473 -12.792 29.805 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.399 -10.493 30.419 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -5.722 -9.781 30.124 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.489 -9.563 31.223 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.464 -9.521 31.436 1.00 0.84 C ATOM 0 H ILE B 38 -5.100 -12.473 28.922 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.430 -9.980 28.529 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.592 -11.398 30.995 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.534 -8.840 29.608 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.336 -10.391 29.461 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -3.976 -9.300 32.162 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.546 -10.068 31.432 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.296 -8.657 30.649 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.406 -9.014 31.227 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.665 -10.469 31.934 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -5.850 -8.894 32.083 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.313 -11.059 29.075 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.004 -11.747 29.262 1.00 0.20 C ATOM 1499 C TYR B 39 0.817 -11.033 30.338 1.00 0.20 C ATOM 1500 O TYR B 39 0.681 -9.843 30.539 1.00 0.19 O ATOM 1501 CB TYR B 39 0.691 -11.609 27.911 1.00 0.23 C ATOM 1502 CG TYR B 39 0.143 -12.610 26.930 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.190 -12.533 26.508 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.979 -13.611 26.434 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.684 -13.464 25.587 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.487 -14.542 25.516 1.00 0.36 C ATOM 1507 CZ TYR B 39 -0.845 -14.471 25.092 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.329 -15.394 24.188 1.00 0.45 O ATOM 0 H TYR B 39 -1.246 -10.109 28.710 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.120 -12.784 29.576 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.551 -10.599 27.525 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.764 -11.759 28.031 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -1.835 -11.757 26.892 1.00 0.31 H new ATOM 0 HD2 TYR B 39 2.007 -13.666 26.760 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.711 -13.406 25.258 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.135 -15.317 25.133 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.616 -16.021 23.947 1.00 0.45 H new ATOM 1518 N VAL B 40 1.756 -11.711 30.937 1.00 0.21 N ATOM 1519 CA VAL B 40 2.677 -11.013 31.882 1.00 0.21 C ATOM 1520 C VAL B 40 4.137 -11.329 31.542 1.00 0.21 C ATOM 1521 O VAL B 40 4.550 -12.472 31.529 1.00 0.23 O ATOM 1522 CB VAL B 40 2.318 -11.557 33.262 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.281 -10.981 34.301 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.886 -11.143 33.612 1.00 0.26 C ATOM 0 H VAL B 40 1.926 -12.709 30.816 1.00 0.21 H new ATOM 0 HA VAL B 40 2.571 -9.929 31.830 1.00 0.21 H new ATOM 0 HB VAL B 40 2.394 -12.644 33.258 1.00 0.24 H new ATOM 0 HG11 VAL B 40 3.026 -11.368 35.287 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.302 -11.270 34.050 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.202 -9.894 34.307 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.626 -11.530 34.597 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.813 -10.055 33.618 1.00 0.26 H new ATOM 0 HG23 VAL B 40 0.198 -11.549 32.870 1.00 0.26 H new ATOM 1534 N ASP B 41 4.933 -10.317 31.319 1.00 0.21 N ATOM 1535 CA ASP B 41 6.379 -10.552 31.038 1.00 0.21 C ATOM 1536 C ASP B 41 7.220 -9.392 31.584 1.00 0.24 C ATOM 1537 O ASP B 41 6.900 -8.239 31.389 1.00 0.26 O ATOM 1538 CB ASP B 41 6.483 -10.613 29.513 1.00 0.19 C ATOM 1539 CG ASP B 41 6.329 -9.206 28.932 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.563 -8.437 29.486 1.00 1.77 O ATOM 1541 OD2 ASP B 41 6.986 -8.921 27.943 1.00 1.68 O ATOM 0 H ASP B 41 4.644 -9.339 31.319 1.00 0.21 H new ATOM 0 HA ASP B 41 6.747 -11.463 31.510 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.444 -11.035 29.220 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.711 -11.270 29.112 1.00 0.19 H new ATOM 1546 N ASP B 42 8.345 -9.690 32.174 1.00 0.27 N ATOM 1547 CA ASP B 42 9.266 -8.602 32.620 1.00 0.32 C ATOM 1548 C ASP B 42 8.492 -7.469 33.308 1.00 0.32 C ATOM 1549 O ASP B 42 8.753 -6.304 33.077 1.00 0.37 O ATOM 1550 CB ASP B 42 9.921 -8.100 31.334 1.00 0.37 C ATOM 1551 CG ASP B 42 10.855 -6.933 31.657 1.00 0.45 C ATOM 1552 OD1 ASP B 42 11.048 -6.661 32.830 1.00 1.14 O ATOM 1553 OD2 ASP B 42 11.361 -6.331 30.724 1.00 1.21 O ATOM 0 H ASP B 42 8.668 -10.638 32.367 1.00 0.27 H new ATOM 0 HA ASP B 42 9.995 -8.958 33.348 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.480 -8.906 30.860 1.00 0.37 H new ATOM 0 HB3 ASP B 42 9.157 -7.782 30.625 1.00 0.37 H new ATOM 1558 N GLU B 43 7.609 -7.799 34.213 1.00 0.29 N ATOM 1559 CA GLU B 43 6.894 -6.739 34.992 1.00 0.30 C ATOM 1560 C GLU B 43 6.059 -5.853 34.062 1.00 0.29 C ATOM 1561 O GLU B 43 5.492 -4.863 34.479 1.00 0.30 O ATOM 1562 CB GLU B 43 8.001 -5.922 35.661 1.00 0.34 C ATOM 1563 CG GLU B 43 7.383 -4.967 36.685 1.00 1.17 C ATOM 1564 CD GLU B 43 6.827 -5.771 37.862 1.00 1.34 C ATOM 1565 OE1 GLU B 43 7.306 -6.870 38.083 1.00 1.68 O ATOM 1566 OE2 GLU B 43 5.929 -5.273 38.522 1.00 1.92 O ATOM 0 H GLU B 43 7.350 -8.757 34.448 1.00 0.29 H new ATOM 0 HA GLU B 43 6.203 -7.165 35.719 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.713 -6.587 36.151 1.00 0.34 H new ATOM 0 HB3 GLU B 43 8.556 -5.358 34.911 1.00 0.34 H new ATOM 0 HG2 GLU B 43 8.133 -4.259 37.037 1.00 1.17 H new ATOM 0 HG3 GLU B 43 6.587 -4.384 36.221 1.00 1.17 H new ATOM 1573 N LYS B 44 5.915 -6.245 32.827 1.00 0.29 N ATOM 1574 CA LYS B 44 5.041 -5.473 31.898 1.00 0.30 C ATOM 1575 C LYS B 44 3.851 -6.332 31.467 1.00 0.27 C ATOM 1576 O LYS B 44 3.945 -7.540 31.382 1.00 0.26 O ATOM 1577 CB LYS B 44 5.924 -5.142 30.694 1.00 0.34 C ATOM 1578 CG LYS B 44 7.012 -4.151 31.110 1.00 1.29 C ATOM 1579 CD LYS B 44 7.800 -3.717 29.872 1.00 1.23 C ATOM 1580 CE LYS B 44 8.904 -2.742 30.284 1.00 1.90 C ATOM 1581 NZ LYS B 44 10.133 -3.246 29.612 1.00 2.00 N ATOM 0 H LYS B 44 6.364 -7.066 32.420 1.00 0.29 H new ATOM 0 HA LYS B 44 4.639 -4.573 32.363 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.378 -6.052 30.303 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.319 -4.718 29.893 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.564 -3.283 31.593 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.680 -4.611 31.838 1.00 1.29 H new ATOM 0 HD2 LYS B 44 8.234 -4.588 29.381 1.00 1.23 H new ATOM 0 HD3 LYS B 44 7.133 -3.244 29.151 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.670 -1.725 29.969 1.00 1.90 H new ATOM 0 HE3 LYS B 44 9.027 -2.720 31.367 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 10.936 -2.628 29.847 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 10.334 -4.213 29.937 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 9.989 -3.250 28.582 1.00 2.00 H new ATOM 1595 N ILE B 45 2.728 -5.723 31.213 1.00 0.28 N ATOM 1596 CA ILE B 45 1.529 -6.512 30.813 1.00 0.26 C ATOM 1597 C ILE B 45 1.350 -6.463 29.293 1.00 0.26 C ATOM 1598 O ILE B 45 1.301 -5.404 28.704 1.00 0.29 O ATOM 1599 CB ILE B 45 0.359 -5.818 31.508 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.640 -5.728 33.009 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -0.923 -6.622 31.277 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.357 -4.764 33.656 1.00 1.24 C ATOM 0 H ILE B 45 2.587 -4.714 31.265 1.00 0.28 H new ATOM 0 HA ILE B 45 1.610 -7.563 31.091 1.00 0.26 H new ATOM 0 HB ILE B 45 0.237 -4.815 31.099 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.557 -6.714 33.465 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.660 -5.382 33.179 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.758 -6.127 31.773 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.124 -6.688 30.208 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -0.802 -7.625 31.686 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.158 -4.699 34.726 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.252 -3.777 33.207 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.372 -5.129 33.497 1.00 1.24 H new ATOM 1614 N ILE B 46 1.195 -7.598 28.668 1.00 0.26 N ATOM 1615 CA ILE B 46 0.952 -7.615 27.196 1.00 0.29 C ATOM 1616 C ILE B 46 -0.490 -8.036 26.905 1.00 0.28 C ATOM 1617 O ILE B 46 -0.893 -9.146 27.184 1.00 0.31 O ATOM 1618 CB ILE B 46 1.942 -8.646 26.647 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.354 -8.062 26.681 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.571 -9.013 25.208 1.00 0.37 C ATOM 1621 CD1 ILE B 46 4.370 -9.196 26.806 1.00 0.50 C ATOM 0 H ILE B 46 1.226 -8.515 29.113 1.00 0.26 H new ATOM 0 HA ILE B 46 1.091 -6.636 26.738 1.00 0.29 H new ATOM 0 HB ILE B 46 1.904 -9.544 27.263 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.544 -7.488 25.774 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.455 -7.375 27.521 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.280 -9.747 24.825 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.566 -9.435 25.188 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.602 -8.119 24.585 1.00 0.37 H new ATOM 0 HD11 ILE B 46 5.378 -8.781 26.830 1.00 0.50 H new ATOM 0 HD12 ILE B 46 4.184 -9.751 27.725 1.00 0.50 H new ATOM 0 HD13 ILE B 46 4.274 -9.866 25.952 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.270 -7.162 26.335 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.681 -7.523 26.013 1.00 0.29 C ATOM 1635 C LEU B 47 -2.847 -7.679 24.502 1.00 0.31 C ATOM 1636 O LEU B 47 -2.400 -6.853 23.732 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.523 -6.353 26.520 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.281 -6.152 28.016 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.957 -5.417 28.226 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.422 -5.320 28.606 1.00 1.23 C ATOM 0 H LEU B 47 -0.994 -6.214 26.078 1.00 0.28 H new ATOM 0 HA LEU B 47 -2.979 -8.466 26.472 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.266 -5.445 25.975 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.580 -6.547 26.336 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.240 -7.122 28.511 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.785 -5.274 29.293 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.143 -6.006 27.803 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -1.997 -4.446 27.732 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.252 -5.175 29.673 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.460 -4.350 28.109 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.367 -5.841 28.457 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.486 -8.730 24.075 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.683 -8.938 22.613 1.00 0.34 C ATOM 1654 C LYS B 48 -5.053 -9.566 22.346 1.00 0.27 C ATOM 1655 O LYS B 48 -5.687 -10.094 23.237 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.562 -9.889 22.190 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.765 -11.258 22.843 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.632 -12.192 22.417 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.108 -13.643 22.500 1.00 1.54 C ATOM 1660 NZ LYS B 48 -3.065 -13.798 21.369 1.00 1.74 N ATOM 0 H LYS B 48 -3.881 -9.455 24.674 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.651 -8.001 22.056 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.551 -9.992 21.105 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.595 -9.478 22.481 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.781 -11.158 23.928 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.727 -11.676 22.547 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.318 -11.959 21.400 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -0.764 -12.045 23.060 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -1.273 -14.338 22.409 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -2.590 -13.847 23.456 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -3.111 -14.798 21.088 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -4.009 -13.478 21.667 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -2.744 -13.226 20.562 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.494 -9.555 21.118 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.798 -10.199 20.795 1.00 0.25 C ATOM 1676 C LYS B 49 -6.778 -11.663 21.232 1.00 0.22 C ATOM 1677 O LYS B 49 -5.741 -12.296 21.270 1.00 0.24 O ATOM 1678 CB LYS B 49 -6.933 -10.097 19.276 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.294 -10.651 18.847 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.404 -10.610 17.322 1.00 0.54 C ATOM 1681 CE LYS B 49 -9.817 -11.016 16.899 1.00 1.08 C ATOM 1682 NZ LYS B 49 -9.803 -12.506 16.895 1.00 1.65 N ATOM 0 H LYS B 49 -5.010 -9.130 20.327 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.633 -9.720 21.307 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.835 -9.058 18.960 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.132 -10.654 18.791 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.411 -11.675 19.203 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.095 -10.064 19.296 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.178 -9.608 16.958 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.672 -11.284 16.876 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.563 -10.630 17.593 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.063 -10.621 15.914 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -10.729 -12.861 16.582 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.064 -12.844 16.246 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.606 -12.854 17.855 1.00 1.65 H new ATOM 1696 N TYR B 50 -7.900 -12.180 21.646 1.00 0.20 N ATOM 1697 CA TYR B 50 -7.923 -13.573 22.176 1.00 0.22 C ATOM 1698 C TYR B 50 -8.490 -14.536 21.130 1.00 0.25 C ATOM 1699 O TYR B 50 -9.643 -14.457 20.758 1.00 0.20 O ATOM 1700 CB TYR B 50 -8.838 -13.508 23.398 1.00 0.22 C ATOM 1701 CG TYR B 50 -8.944 -14.878 24.022 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -7.864 -15.764 23.956 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.125 -15.262 24.668 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -7.964 -17.035 24.534 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.227 -16.532 25.246 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.145 -17.419 25.180 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.245 -18.671 25.750 1.00 0.65 O ATOM 0 H TYR B 50 -8.800 -11.701 21.641 1.00 0.20 H new ATOM 0 HA TYR B 50 -6.926 -13.937 22.426 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.444 -12.796 24.123 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -9.826 -13.152 23.107 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -6.952 -15.467 23.459 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -10.958 -14.577 24.720 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.130 -17.719 24.482 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.139 -16.828 25.743 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.130 -18.775 26.158 1.00 0.65 H new