USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=14 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+ -156:sc= -0.0821 (180deg=-1.25!) USER MOD Single : A 27 THR OG1 : rot 92:sc= 1.19 USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.204 (180deg=-1.63!) USER MOD Single : A 39 TYR OH : rot -77:sc= -3.24! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc=-0.00721 (180deg=-0.00721) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= 0.101 (180deg=-0.5) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= -0.0568 (180deg=-0.0584) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ -154:sc= -0.11 (180deg=-1.33!) USER MOD Single : B 27 THR OG1 : rot 92:sc= 1.17 USER MOD Single : B 33 LYS NZ :NH3+ -155:sc= -0.137 (180deg=-1.57!) USER MOD Single : B 39 TYR OH : rot -77:sc= -3.54! USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 154:sc= 0.11 (180deg=-0.493) USER MOD Single : B 49 LYS NZ :NH3+ 175:sc= -0.0539 (180deg=-0.0571) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N ILE A 8 -5.028 -15.629 30.429 1.00 0.37 N ATOM 93 CA ILE A 8 -6.394 -15.587 31.034 1.00 0.37 C ATOM 94 C ILE A 8 -7.215 -14.481 30.372 1.00 0.32 C ATOM 95 O ILE A 8 -6.703 -13.434 30.054 1.00 0.30 O ATOM 96 CB ILE A 8 -6.170 -15.272 32.510 1.00 0.40 C ATOM 97 CG1 ILE A 8 -5.190 -16.285 33.106 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.502 -15.352 33.257 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.873 -15.899 34.552 1.00 1.36 C ATOM 0 HA ILE A 8 -6.937 -16.523 30.900 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.758 -14.267 32.608 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.620 -17.286 33.072 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.274 -16.311 32.516 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.342 -15.127 34.311 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -8.200 -14.630 32.834 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.914 -16.356 33.159 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.175 -16.621 34.977 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -4.426 -14.905 34.574 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.792 -15.896 35.138 1.00 1.36 H new ATOM 111 N VAL A 9 -8.426 -14.772 29.996 1.00 0.32 N ATOM 112 CA VAL A 9 -9.186 -13.799 29.157 1.00 0.29 C ATOM 113 C VAL A 9 -10.381 -13.219 29.920 1.00 0.32 C ATOM 114 O VAL A 9 -11.075 -13.915 30.635 1.00 0.37 O ATOM 115 CB VAL A 9 -9.658 -14.601 27.946 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.474 -13.697 27.019 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.440 -15.137 27.188 1.00 0.30 C ATOM 0 H VAL A 9 -8.922 -15.632 30.229 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.568 -12.948 28.872 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.278 -15.433 28.280 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.810 -14.270 26.155 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.339 -13.310 27.557 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.854 -12.865 26.684 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.773 -15.710 26.323 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.823 -14.303 26.855 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.856 -15.780 27.846 1.00 0.30 H new ATOM 127 N ARG A 10 -10.680 -11.968 29.685 1.00 0.31 N ATOM 128 CA ARG A 10 -11.891 -11.353 30.298 1.00 0.36 C ATOM 129 C ARG A 10 -12.719 -10.663 29.210 1.00 0.31 C ATOM 130 O ARG A 10 -12.270 -10.495 28.096 1.00 0.27 O ATOM 131 CB ARG A 10 -11.360 -10.330 31.302 1.00 0.40 C ATOM 132 CG ARG A 10 -12.506 -9.850 32.195 1.00 0.73 C ATOM 133 CD ARG A 10 -11.982 -8.807 33.185 1.00 0.86 C ATOM 134 NE ARG A 10 -11.771 -7.578 32.370 1.00 1.13 N ATOM 135 CZ ARG A 10 -12.798 -6.920 31.899 1.00 1.36 C ATOM 136 NH1 ARG A 10 -14.012 -7.337 32.140 1.00 1.61 N ATOM 137 NH2 ARG A 10 -12.609 -5.843 31.187 1.00 1.91 N ATOM 0 H ARG A 10 -10.133 -11.344 29.091 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.535 -12.088 30.781 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.573 -10.776 31.910 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.916 -9.485 30.776 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -13.301 -9.420 31.585 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.938 -10.693 32.734 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -12.697 -8.630 33.988 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.053 -9.136 33.651 1.00 0.86 H new ATOM 0 HE ARG A 10 -10.824 -7.249 32.179 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -14.161 -8.178 32.697 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -14.811 -6.821 31.771 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -11.661 -5.516 30.999 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -13.409 -5.328 30.819 1.00 1.91 H new ATOM 151 N LYS A 11 -13.934 -10.293 29.508 1.00 0.32 N ATOM 152 CA LYS A 11 -14.790 -9.653 28.467 1.00 0.29 C ATOM 153 C LYS A 11 -14.506 -8.149 28.391 1.00 0.26 C ATOM 154 O LYS A 11 -14.218 -7.509 29.383 1.00 0.27 O ATOM 155 CB LYS A 11 -16.227 -9.908 28.923 1.00 0.33 C ATOM 156 CG LYS A 11 -16.507 -11.412 28.912 1.00 1.02 C ATOM 157 CD LYS A 11 -17.977 -11.661 29.256 1.00 1.03 C ATOM 158 CE LYS A 11 -18.229 -13.167 29.364 1.00 1.81 C ATOM 159 NZ LYS A 11 -17.814 -13.720 28.044 1.00 2.21 N ATOM 0 H LYS A 11 -14.371 -10.405 30.423 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.600 -10.058 27.473 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.378 -9.507 29.925 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.926 -9.392 28.264 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -16.277 -11.828 27.931 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -15.863 -11.918 29.632 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -18.229 -11.171 30.196 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.619 -11.228 28.489 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -17.651 -13.607 30.176 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -19.279 -13.378 29.569 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -18.307 -14.620 27.874 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -18.059 -13.044 27.292 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -16.787 -13.882 28.043 1.00 2.21 H new ATOM 173 N VAL A 12 -14.600 -7.580 27.218 1.00 0.22 N ATOM 174 CA VAL A 12 -14.351 -6.114 27.073 1.00 0.21 C ATOM 175 C VAL A 12 -15.614 -5.336 27.444 1.00 0.20 C ATOM 176 O VAL A 12 -16.696 -5.655 26.998 1.00 0.20 O ATOM 177 CB VAL A 12 -14.025 -5.906 25.592 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.371 -4.537 25.400 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.071 -7.002 25.111 1.00 0.28 C ATOM 0 H VAL A 12 -14.838 -8.066 26.354 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.546 -5.767 27.721 1.00 0.21 H new ATOM 0 HB VAL A 12 -14.946 -5.954 25.012 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.139 -4.389 24.345 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.055 -3.757 25.734 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.452 -4.488 25.984 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.843 -6.849 24.056 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.149 -6.962 25.691 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.541 -7.977 25.242 1.00 0.28 H new ATOM 189 N ASP A 13 -15.491 -4.329 28.263 1.00 0.20 N ATOM 190 CA ASP A 13 -16.702 -3.560 28.665 1.00 0.21 C ATOM 191 C ASP A 13 -17.023 -2.492 27.608 1.00 0.22 C ATOM 192 O ASP A 13 -16.467 -2.491 26.527 1.00 0.22 O ATOM 193 CB ASP A 13 -16.355 -2.935 30.023 1.00 0.21 C ATOM 194 CG ASP A 13 -15.722 -1.556 29.836 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.524 -1.489 29.636 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.452 -0.582 29.898 1.00 0.55 O ATOM 0 H ASP A 13 -14.612 -4.007 28.669 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.590 -4.187 28.743 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.256 -2.848 30.630 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.668 -3.586 30.564 1.00 0.21 H new ATOM 201 N GLU A 14 -18.006 -1.675 27.859 1.00 0.23 N ATOM 202 CA GLU A 14 -18.474 -0.724 26.808 1.00 0.26 C ATOM 203 C GLU A 14 -17.338 0.179 26.312 1.00 0.26 C ATOM 204 O GLU A 14 -17.304 0.559 25.158 1.00 0.29 O ATOM 205 CB GLU A 14 -19.558 0.111 27.489 1.00 0.28 C ATOM 206 CG GLU A 14 -20.730 -0.791 27.880 1.00 1.22 C ATOM 207 CD GLU A 14 -21.840 0.055 28.505 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.596 1.223 28.760 1.00 1.99 O ATOM 209 OE2 GLU A 14 -22.916 -0.479 28.720 1.00 2.19 O ATOM 0 H GLU A 14 -18.507 -1.623 28.746 1.00 0.23 H new ATOM 0 HA GLU A 14 -18.841 -1.254 25.929 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -19.152 0.601 28.374 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.900 0.899 26.818 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -21.108 -1.315 27.002 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.397 -1.552 28.586 1.00 1.22 H new ATOM 216 N LEU A 15 -16.483 0.629 27.187 1.00 0.23 N ATOM 217 CA LEU A 15 -15.453 1.622 26.765 1.00 0.24 C ATOM 218 C LEU A 15 -14.227 0.937 26.150 1.00 0.22 C ATOM 219 O LEU A 15 -13.314 1.592 25.687 1.00 0.24 O ATOM 220 CB LEU A 15 -15.062 2.366 28.041 1.00 0.28 C ATOM 221 CG LEU A 15 -13.914 3.331 27.732 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.243 4.133 26.470 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.730 4.292 28.908 1.00 1.38 C ATOM 0 H LEU A 15 -16.451 0.356 28.169 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.843 2.291 25.998 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -15.918 2.915 28.433 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.759 1.657 28.811 1.00 0.28 H new ATOM 0 HG LEU A 15 -12.997 2.764 27.573 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.425 4.819 26.251 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.379 3.451 25.631 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.160 4.700 26.628 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -12.913 4.980 28.691 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.649 4.857 29.063 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.496 3.724 29.809 1.00 1.38 H new ATOM 235 N GLY A 16 -14.163 -0.366 26.173 1.00 0.21 N ATOM 236 CA GLY A 16 -12.955 -1.043 25.625 1.00 0.19 C ATOM 237 C GLY A 16 -11.827 -1.002 26.659 1.00 0.20 C ATOM 238 O GLY A 16 -10.709 -0.616 26.362 1.00 0.20 O ATOM 0 H GLY A 16 -14.885 -0.984 26.543 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.190 -2.076 25.370 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.637 -0.552 24.706 1.00 0.19 H new ATOM 242 N ARG A 17 -12.119 -1.331 27.887 1.00 0.24 N ATOM 243 CA ARG A 17 -11.078 -1.250 28.946 1.00 0.26 C ATOM 244 C ARG A 17 -10.757 -2.649 29.477 1.00 0.26 C ATOM 245 O ARG A 17 -11.572 -3.548 29.416 1.00 0.26 O ATOM 246 CB ARG A 17 -11.699 -0.383 30.042 1.00 0.28 C ATOM 247 CG ARG A 17 -11.863 1.047 29.523 1.00 0.28 C ATOM 248 CD ARG A 17 -12.430 1.934 30.633 1.00 0.29 C ATOM 249 NE ARG A 17 -13.833 1.471 30.814 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.694 2.232 31.441 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.316 3.376 31.945 1.00 0.73 N ATOM 252 NH2 ARG A 17 -15.936 1.848 31.565 1.00 1.15 N ATOM 0 H ARG A 17 -13.034 -1.652 28.202 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.141 -0.830 28.579 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.667 -0.788 30.338 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.066 -0.390 30.929 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -10.901 1.436 29.189 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.528 1.057 28.660 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.857 1.829 31.554 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.394 2.987 30.354 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.123 0.563 30.450 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.347 3.679 31.851 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -14.990 3.966 32.433 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.235 0.955 31.173 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.607 2.441 32.054 1.00 1.15 H new ATOM 266 N VAL A 18 -9.578 -2.838 29.999 1.00 0.26 N ATOM 267 CA VAL A 18 -9.206 -4.178 30.536 1.00 0.25 C ATOM 268 C VAL A 18 -8.794 -4.052 32.002 1.00 0.24 C ATOM 269 O VAL A 18 -8.366 -3.006 32.446 1.00 0.24 O ATOM 270 CB VAL A 18 -8.024 -4.635 29.681 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.409 -4.577 28.202 1.00 0.28 C ATOM 272 CG2 VAL A 18 -6.827 -3.715 29.932 1.00 0.26 C ATOM 0 H VAL A 18 -8.855 -2.123 30.078 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.032 -4.888 30.494 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.759 -5.658 29.947 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.566 -4.903 27.593 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.261 -5.232 28.022 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.675 -3.554 27.935 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -5.984 -4.040 29.323 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.093 -2.692 29.667 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.551 -3.757 30.986 1.00 0.26 H new ATOM 282 N VAL A 19 -8.999 -5.082 32.776 1.00 0.22 N ATOM 283 CA VAL A 19 -8.709 -4.982 34.233 1.00 0.21 C ATOM 284 C VAL A 19 -7.514 -5.860 34.606 1.00 0.22 C ATOM 285 O VAL A 19 -7.464 -7.028 34.276 1.00 0.23 O ATOM 286 CB VAL A 19 -9.976 -5.490 34.921 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.851 -5.298 36.433 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.185 -4.709 34.403 1.00 0.24 C ATOM 0 H VAL A 19 -9.354 -5.986 32.463 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.456 -3.964 34.530 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.108 -6.550 34.702 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.755 -5.661 36.922 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -8.991 -5.857 36.801 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.718 -4.239 36.656 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.089 -5.071 34.893 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.054 -3.649 34.620 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.275 -4.850 33.326 1.00 0.24 H new ATOM 298 N ILE A 20 -6.602 -5.334 35.376 1.00 0.22 N ATOM 299 CA ILE A 20 -5.472 -6.173 35.866 1.00 0.24 C ATOM 300 C ILE A 20 -5.911 -6.943 37.117 1.00 0.24 C ATOM 301 O ILE A 20 -6.482 -6.373 38.018 1.00 0.23 O ATOM 302 CB ILE A 20 -4.363 -5.165 36.195 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.583 -4.838 34.919 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.408 -5.753 37.236 1.00 0.24 C ATOM 305 CD1 ILE A 20 -3.070 -6.133 34.287 1.00 1.38 C ATOM 0 H ILE A 20 -6.590 -4.362 35.686 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.139 -6.915 35.140 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.813 -4.258 36.598 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -4.223 -4.306 34.215 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -2.747 -4.178 35.150 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.625 -5.029 37.462 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -3.961 -5.986 38.146 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -2.957 -6.664 36.843 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -2.515 -5.899 33.379 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -2.415 -6.647 34.991 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -3.914 -6.777 34.041 1.00 1.38 H new ATOM 317 N PRO A 21 -5.584 -8.206 37.150 1.00 0.28 N ATOM 318 CA PRO A 21 -5.905 -9.040 38.337 1.00 0.30 C ATOM 319 C PRO A 21 -5.259 -8.442 39.589 1.00 0.28 C ATOM 320 O PRO A 21 -4.175 -7.903 39.539 1.00 0.27 O ATOM 321 CB PRO A 21 -5.303 -10.410 38.010 1.00 0.35 C ATOM 322 CG PRO A 21 -4.416 -10.199 36.820 1.00 0.35 C ATOM 323 CD PRO A 21 -4.897 -8.964 36.107 1.00 0.32 C ATOM 0 HA PRO A 21 -6.975 -9.100 38.539 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.735 -10.798 38.856 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.085 -11.137 37.790 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.378 -10.081 37.132 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.453 -11.063 36.157 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.068 -8.399 35.682 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.568 -9.212 35.285 1.00 0.32 H new ATOM 331 N ILE A 22 -5.923 -8.514 40.710 1.00 0.30 N ATOM 332 CA ILE A 22 -5.346 -7.921 41.953 1.00 0.30 C ATOM 333 C ILE A 22 -3.955 -8.489 42.218 1.00 0.32 C ATOM 334 O ILE A 22 -3.080 -7.805 42.708 1.00 0.32 O ATOM 335 CB ILE A 22 -6.313 -8.321 43.068 1.00 0.35 C ATOM 336 CG1 ILE A 22 -5.981 -7.534 44.339 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.175 -9.819 43.349 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.239 -6.046 44.101 1.00 1.11 C ATOM 0 H ILE A 22 -6.836 -8.955 40.821 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.234 -6.839 41.879 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.335 -8.100 42.759 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.590 -7.891 45.170 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -4.939 -7.693 44.616 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.864 -10.105 44.144 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.409 -10.382 42.445 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.153 -10.039 43.658 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -6.003 -5.486 45.006 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.611 -5.694 43.282 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.288 -5.895 43.845 1.00 1.11 H new ATOM 350 N GLU A 23 -3.730 -9.723 41.875 1.00 0.36 N ATOM 351 CA GLU A 23 -2.378 -10.310 42.090 1.00 0.40 C ATOM 352 C GLU A 23 -1.328 -9.482 41.344 1.00 0.37 C ATOM 353 O GLU A 23 -0.225 -9.283 41.811 1.00 0.39 O ATOM 354 CB GLU A 23 -2.464 -11.717 41.498 1.00 0.44 C ATOM 355 CG GLU A 23 -1.162 -12.471 41.783 1.00 1.22 C ATOM 356 CD GLU A 23 -1.206 -13.840 41.100 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.190 -14.114 40.432 1.00 2.37 O ATOM 358 OE2 GLU A 23 -0.257 -14.589 41.257 1.00 2.01 O ATOM 0 H GLU A 23 -4.418 -10.350 41.457 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.091 -10.325 43.141 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -3.309 -12.253 41.929 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -2.637 -11.661 40.423 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -0.310 -11.898 41.418 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -1.027 -12.593 42.858 1.00 1.22 H new ATOM 365 N LEU A 24 -1.683 -8.970 40.199 1.00 0.34 N ATOM 366 CA LEU A 24 -0.730 -8.131 39.422 1.00 0.33 C ATOM 367 C LEU A 24 -0.747 -6.688 39.927 1.00 0.29 C ATOM 368 O LEU A 24 0.261 -6.015 39.921 1.00 0.29 O ATOM 369 CB LEU A 24 -1.219 -8.204 37.975 1.00 0.33 C ATOM 370 CG LEU A 24 -1.079 -9.638 37.460 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.415 -9.681 35.968 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.360 -10.113 37.671 1.00 1.75 C ATOM 0 H LEU A 24 -2.598 -9.098 39.766 1.00 0.34 H new ATOM 0 HA LEU A 24 0.297 -8.483 39.521 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.260 -7.885 37.915 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.641 -7.524 37.350 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.763 -10.289 38.004 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.315 -10.703 35.602 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.439 -9.339 35.816 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.731 -9.031 35.422 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.463 -11.135 37.305 1.00 1.75 H new ATOM 0 HD22 LEU A 24 1.042 -9.461 37.125 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.601 -10.082 38.734 1.00 1.75 H new ATOM 384 N ARG A 25 -1.853 -6.232 40.450 1.00 0.25 N ATOM 385 CA ARG A 25 -1.862 -4.864 41.041 1.00 0.23 C ATOM 386 C ARG A 25 -0.802 -4.787 42.136 1.00 0.25 C ATOM 387 O ARG A 25 -0.083 -3.815 42.252 1.00 0.25 O ATOM 388 CB ARG A 25 -3.254 -4.670 41.656 1.00 0.22 C ATOM 389 CG ARG A 25 -4.345 -4.790 40.589 1.00 0.21 C ATOM 390 CD ARG A 25 -5.689 -4.373 41.204 1.00 0.22 C ATOM 391 NE ARG A 25 -6.727 -4.970 40.324 1.00 0.23 N ATOM 392 CZ ARG A 25 -7.944 -5.135 40.767 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.262 -4.752 41.976 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.847 -5.681 39.999 1.00 0.27 N ATOM 0 H ARG A 25 -2.737 -6.738 40.494 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.648 -4.098 40.295 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.419 -5.414 42.435 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.312 -3.691 42.133 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.108 -4.156 39.735 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.401 -5.814 40.220 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.783 -4.738 42.227 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.784 -3.288 41.243 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.488 -5.251 39.373 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.558 -4.323 42.577 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.214 -4.883 42.319 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.601 -5.978 39.055 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.798 -5.811 40.343 1.00 0.27 H new ATOM 408 N ARG A 26 -0.732 -5.789 42.965 1.00 0.29 N ATOM 409 CA ARG A 26 0.249 -5.758 44.088 1.00 0.33 C ATOM 410 C ARG A 26 1.675 -5.967 43.568 1.00 0.35 C ATOM 411 O ARG A 26 2.587 -5.244 43.918 1.00 0.35 O ATOM 412 CB ARG A 26 -0.158 -6.915 44.999 1.00 0.37 C ATOM 413 CG ARG A 26 -1.548 -6.645 45.577 1.00 1.07 C ATOM 414 CD ARG A 26 -1.910 -7.747 46.575 1.00 1.25 C ATOM 415 NE ARG A 26 -3.341 -7.505 46.912 1.00 1.85 N ATOM 416 CZ ARG A 26 -3.671 -6.522 47.707 1.00 2.32 C ATOM 417 NH1 ARG A 26 -2.748 -5.748 48.213 1.00 2.40 N ATOM 418 NH2 ARG A 26 -4.926 -6.314 47.999 1.00 3.26 N ATOM 0 H ARG A 26 -1.310 -6.628 42.915 1.00 0.29 H new ATOM 0 HA ARG A 26 0.242 -4.800 44.608 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -0.161 -7.850 44.438 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.567 -7.029 45.805 1.00 0.37 H new ATOM 0 HG2 ARG A 26 -1.566 -5.673 46.070 1.00 1.07 H new ATOM 0 HG3 ARG A 26 -2.286 -6.609 44.776 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -1.769 -8.736 46.140 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -1.281 -7.697 47.464 1.00 1.25 H new ATOM 0 HE ARG A 26 -4.065 -8.108 46.521 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -1.767 -5.910 47.988 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -3.009 -4.981 48.833 1.00 2.40 H new ATOM 0 HH21 ARG A 26 -5.648 -6.919 47.607 1.00 3.26 H new ATOM 0 HH22 ARG A 26 -5.185 -5.547 48.620 1.00 3.26 H new ATOM 432 N THR A 27 1.879 -6.963 42.751 1.00 0.37 N ATOM 433 CA THR A 27 3.251 -7.243 42.235 1.00 0.41 C ATOM 434 C THR A 27 3.767 -6.080 41.383 1.00 0.39 C ATOM 435 O THR A 27 4.956 -5.838 41.307 1.00 0.42 O ATOM 436 CB THR A 27 3.104 -8.506 41.385 1.00 0.44 C ATOM 437 OG1 THR A 27 2.512 -9.535 42.165 1.00 0.61 O ATOM 438 CG2 THR A 27 4.481 -8.959 40.897 1.00 0.77 C ATOM 0 H THR A 27 1.154 -7.597 42.417 1.00 0.37 H new ATOM 0 HA THR A 27 3.969 -7.371 43.045 1.00 0.41 H new ATOM 0 HB THR A 27 2.469 -8.293 40.525 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.539 -9.512 42.053 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.374 -9.859 40.292 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.932 -8.169 40.297 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.119 -9.172 41.755 1.00 0.77 H new ATOM 446 N LEU A 28 2.896 -5.395 40.698 1.00 0.35 N ATOM 447 CA LEU A 28 3.359 -4.297 39.802 1.00 0.34 C ATOM 448 C LEU A 28 3.451 -2.973 40.568 1.00 0.32 C ATOM 449 O LEU A 28 3.914 -1.979 40.046 1.00 0.33 O ATOM 450 CB LEU A 28 2.299 -4.215 38.701 1.00 0.32 C ATOM 451 CG LEU A 28 2.814 -3.332 37.564 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.908 -4.076 36.793 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.659 -2.999 36.615 1.00 1.05 C ATOM 0 H LEU A 28 1.887 -5.546 40.718 1.00 0.35 H new ATOM 0 HA LEU A 28 4.354 -4.488 39.400 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.070 -5.213 38.326 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.372 -3.805 39.103 1.00 0.32 H new ATOM 0 HG LEU A 28 3.224 -2.411 37.977 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.275 -3.446 35.983 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.730 -4.315 37.468 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.499 -4.998 36.379 1.00 0.70 H new ATOM 0 HD21 LEU A 28 2.025 -2.369 35.804 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.250 -3.921 36.202 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.880 -2.469 37.162 1.00 1.05 H new ATOM 465 N GLY A 29 3.048 -2.956 41.809 1.00 0.32 N ATOM 466 CA GLY A 29 3.147 -1.700 42.605 1.00 0.32 C ATOM 467 C GLY A 29 2.203 -0.646 42.029 1.00 0.29 C ATOM 468 O GLY A 29 2.548 0.512 41.909 1.00 0.29 O ATOM 0 H GLY A 29 2.655 -3.756 42.305 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.894 -1.898 43.647 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.172 -1.330 42.591 1.00 0.32 H new ATOM 472 N ILE A 30 1.016 -1.038 41.665 1.00 0.27 N ATOM 473 CA ILE A 30 0.052 -0.055 41.087 1.00 0.24 C ATOM 474 C ILE A 30 -1.175 0.092 41.988 1.00 0.23 C ATOM 475 O ILE A 30 -1.687 -0.868 42.529 1.00 0.26 O ATOM 476 CB ILE A 30 -0.347 -0.629 39.731 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.904 -0.811 38.867 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.310 0.334 39.033 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.699 0.498 38.842 1.00 0.29 C ATOM 0 H ILE A 30 0.669 -1.994 41.741 1.00 0.27 H new ATOM 0 HA ILE A 30 0.494 0.937 40.995 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.835 -1.593 39.874 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.521 -1.617 39.266 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.621 -1.097 37.854 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.595 -0.076 38.064 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.201 0.467 39.647 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.821 1.298 38.890 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.590 0.371 38.227 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.080 1.292 38.424 1.00 0.29 H new ATOM 0 HD13 ILE A 30 1.993 0.764 39.857 1.00 0.29 H new ATOM 491 N ALA A 31 -1.623 1.299 42.175 1.00 0.22 N ATOM 492 CA ALA A 31 -2.789 1.546 43.070 1.00 0.23 C ATOM 493 C ALA A 31 -3.675 2.649 42.485 1.00 0.20 C ATOM 494 O ALA A 31 -3.285 3.356 41.577 1.00 0.18 O ATOM 495 CB ALA A 31 -2.181 2.005 44.393 1.00 0.23 C ATOM 0 H ALA A 31 -1.229 2.135 41.743 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.412 0.660 43.190 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -2.978 2.208 45.109 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.531 1.223 44.786 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.599 2.912 44.231 1.00 0.23 H new ATOM 501 N GLU A 32 -4.865 2.802 42.994 1.00 0.22 N ATOM 502 CA GLU A 32 -5.773 3.857 42.460 1.00 0.21 C ATOM 503 C GLU A 32 -5.075 5.222 42.464 1.00 0.19 C ATOM 504 O GLU A 32 -4.310 5.534 43.354 1.00 0.20 O ATOM 505 CB GLU A 32 -6.967 3.866 43.414 1.00 0.25 C ATOM 506 CG GLU A 32 -8.029 4.838 42.893 1.00 0.27 C ATOM 507 CD GLU A 32 -9.170 4.938 43.906 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.094 4.269 44.924 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.102 5.682 43.647 1.00 1.13 O ATOM 0 H GLU A 32 -5.249 2.243 43.756 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.069 3.660 41.430 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.386 2.863 43.498 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.646 4.162 44.413 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.588 5.821 42.728 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.411 4.495 41.932 1.00 0.27 H new ATOM 516 N LYS A 33 -5.384 6.052 41.502 1.00 0.19 N ATOM 517 CA LYS A 33 -4.811 7.436 41.454 1.00 0.20 C ATOM 518 C LYS A 33 -3.339 7.411 41.020 1.00 0.18 C ATOM 519 O LYS A 33 -2.750 8.441 40.761 1.00 0.21 O ATOM 520 CB LYS A 33 -4.939 7.986 42.877 1.00 0.23 C ATOM 521 CG LYS A 33 -4.802 9.510 42.847 1.00 0.29 C ATOM 522 CD LYS A 33 -4.865 10.057 44.274 1.00 0.87 C ATOM 523 CE LYS A 33 -4.889 11.587 44.234 1.00 1.35 C ATOM 524 NZ LYS A 33 -3.779 11.966 43.318 1.00 1.88 N ATOM 0 H LYS A 33 -6.018 5.829 40.735 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.338 8.056 40.729 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.902 7.705 43.302 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.170 7.553 43.517 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.858 9.792 42.380 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.599 9.945 42.244 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.755 9.682 44.780 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -4.004 9.711 44.846 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -5.847 11.957 43.868 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -4.743 12.010 45.228 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -3.474 12.938 43.526 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -2.979 11.315 43.454 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -4.107 11.910 42.333 1.00 1.88 H new ATOM 538 N ASP A 34 -2.766 6.249 40.846 1.00 0.16 N ATOM 539 CA ASP A 34 -1.371 6.189 40.320 1.00 0.16 C ATOM 540 C ASP A 34 -1.369 6.429 38.809 1.00 0.19 C ATOM 541 O ASP A 34 -2.408 6.481 38.183 1.00 0.20 O ATOM 542 CB ASP A 34 -0.879 4.781 40.643 1.00 0.17 C ATOM 543 CG ASP A 34 -0.608 4.673 42.143 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.666 5.692 42.811 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.345 3.574 42.594 1.00 1.08 O ATOM 0 H ASP A 34 -3.199 5.347 41.043 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.730 6.950 40.764 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.625 4.045 40.342 1.00 0.17 H new ATOM 0 HB3 ASP A 34 0.029 4.563 40.081 1.00 0.17 H new ATOM 550 N ALA A 35 -0.218 6.638 38.230 1.00 0.22 N ATOM 551 CA ALA A 35 -0.169 6.949 36.772 1.00 0.28 C ATOM 552 C ALA A 35 0.305 5.730 35.974 1.00 0.20 C ATOM 553 O ALA A 35 1.353 5.172 36.234 1.00 0.16 O ATOM 554 CB ALA A 35 0.836 8.095 36.648 1.00 0.36 C ATOM 0 H ALA A 35 0.687 6.607 38.700 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.149 7.216 36.378 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.930 8.384 35.601 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.489 8.948 37.231 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.806 7.770 37.024 1.00 0.36 H new ATOM 560 N LEU A 36 -0.410 5.383 34.937 1.00 0.24 N ATOM 561 CA LEU A 36 0.048 4.283 34.038 1.00 0.21 C ATOM 562 C LEU A 36 0.537 4.879 32.719 1.00 0.20 C ATOM 563 O LEU A 36 -0.103 5.745 32.160 1.00 0.23 O ATOM 564 CB LEU A 36 -1.194 3.430 33.781 1.00 0.34 C ATOM 565 CG LEU A 36 -1.897 3.109 35.098 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.361 2.773 34.811 1.00 0.55 C ATOM 567 CD2 LEU A 36 -1.220 1.907 35.760 1.00 0.56 C ATOM 0 H LEU A 36 -1.295 5.816 34.673 1.00 0.24 H new ATOM 0 HA LEU A 36 0.862 3.704 34.475 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.876 3.960 33.116 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.911 2.506 33.277 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.838 3.969 35.766 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.871 2.542 35.746 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.844 3.627 34.335 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.413 1.910 34.147 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.722 1.679 36.700 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -1.281 1.044 35.097 1.00 0.56 H new ATOM 0 HD23 LEU A 36 -0.173 2.141 35.955 1.00 0.56 H new ATOM 579 N GLU A 37 1.573 4.335 32.140 1.00 0.19 N ATOM 580 CA GLU A 37 1.969 4.795 30.781 1.00 0.21 C ATOM 581 C GLU A 37 1.581 3.736 29.748 1.00 0.19 C ATOM 582 O GLU A 37 1.634 2.551 30.011 1.00 0.20 O ATOM 583 CB GLU A 37 3.486 4.982 30.837 1.00 0.25 C ATOM 584 CG GLU A 37 3.971 5.610 29.529 1.00 0.26 C ATOM 585 CD GLU A 37 5.495 5.747 29.562 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.086 5.334 30.547 1.00 1.08 O ATOM 587 OE2 GLU A 37 6.044 6.261 28.603 1.00 1.17 O ATOM 0 H GLU A 37 2.155 3.601 32.544 1.00 0.19 H new ATOM 0 HA GLU A 37 1.472 5.721 30.492 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.754 5.619 31.680 1.00 0.25 H new ATOM 0 HB3 GLU A 37 3.976 4.021 30.995 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.669 4.993 28.683 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.510 6.588 29.390 1.00 0.26 H new ATOM 594 N ILE A 38 1.055 4.162 28.636 1.00 0.21 N ATOM 595 CA ILE A 38 0.496 3.196 27.650 1.00 0.20 C ATOM 596 C ILE A 38 1.400 3.100 26.422 1.00 0.20 C ATOM 597 O ILE A 38 1.817 4.097 25.858 1.00 0.24 O ATOM 598 CB ILE A 38 -0.869 3.766 27.266 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.721 3.937 28.526 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.572 2.807 26.303 1.00 0.73 C ATOM 601 CD1 ILE A 38 -3.036 4.631 28.163 1.00 0.84 C ATOM 0 H ILE A 38 0.987 5.143 28.365 1.00 0.21 H new ATOM 0 HA ILE A 38 0.419 2.190 28.062 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.735 4.733 26.781 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.923 2.965 28.976 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.180 4.525 29.267 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.545 3.214 26.030 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.966 2.683 25.406 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.706 1.839 26.787 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.643 4.753 29.060 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.824 5.610 27.733 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.579 4.025 27.437 1.00 0.84 H new ATOM 613 N TYR A 39 1.710 1.897 26.026 1.00 0.19 N ATOM 614 CA TYR A 39 2.603 1.673 24.856 1.00 0.21 C ATOM 615 C TYR A 39 1.861 0.872 23.781 1.00 0.20 C ATOM 616 O TYR A 39 1.014 0.058 24.084 1.00 0.20 O ATOM 617 CB TYR A 39 3.753 0.839 25.414 1.00 0.24 C ATOM 618 CG TYR A 39 4.720 1.710 26.167 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.349 2.292 27.383 1.00 0.32 C ATOM 620 CD2 TYR A 39 5.997 1.913 25.651 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.262 3.088 28.084 1.00 0.37 C ATOM 622 CE2 TYR A 39 6.913 2.706 26.346 1.00 0.36 C ATOM 623 CZ TYR A 39 6.547 3.297 27.564 1.00 0.39 C ATOM 624 OH TYR A 39 7.450 4.085 28.248 1.00 0.45 O ATOM 0 H TYR A 39 1.375 1.044 26.473 1.00 0.19 H new ATOM 0 HA TYR A 39 2.938 2.605 24.400 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.361 0.065 26.074 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.270 0.331 24.600 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.359 2.127 27.781 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.279 1.457 24.713 1.00 0.31 H new ATOM 0 HE1 TYR A 39 4.977 3.540 29.023 1.00 0.37 H new ATOM 0 HE2 TYR A 39 7.903 2.864 25.945 1.00 0.36 H new ATOM 0 HH TYR A 39 7.223 5.030 28.119 1.00 0.45 H new ATOM 634 N VAL A 40 2.268 0.987 22.547 1.00 0.21 N ATOM 635 CA VAL A 40 1.680 0.103 21.497 1.00 0.22 C ATOM 636 C VAL A 40 2.785 -0.538 20.652 1.00 0.22 C ATOM 637 O VAL A 40 3.563 0.143 20.013 1.00 0.23 O ATOM 638 CB VAL A 40 0.815 1.024 20.638 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.285 0.247 19.432 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.362 1.533 21.473 1.00 0.27 C ATOM 0 H VAL A 40 2.974 1.647 22.221 1.00 0.21 H new ATOM 0 HA VAL A 40 1.102 -0.714 21.929 1.00 0.22 H new ATOM 0 HB VAL A 40 1.411 1.868 20.292 1.00 0.25 H new ATOM 0 HG11 VAL A 40 -0.332 0.904 18.819 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.123 -0.121 18.840 1.00 0.27 H new ATOM 0 HG13 VAL A 40 -0.314 -0.596 19.777 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.982 2.191 20.864 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.958 0.687 21.816 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.015 2.084 22.335 1.00 0.27 H new ATOM 650 N ASP A 41 2.847 -1.842 20.625 1.00 0.21 N ATOM 651 CA ASP A 41 3.884 -2.521 19.795 1.00 0.22 C ATOM 652 C ASP A 41 3.361 -3.863 19.271 1.00 0.25 C ATOM 653 O ASP A 41 2.509 -4.477 19.870 1.00 0.27 O ATOM 654 CB ASP A 41 5.070 -2.737 20.737 1.00 0.20 C ATOM 655 CG ASP A 41 4.686 -3.731 21.833 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.518 -4.071 21.917 1.00 1.77 O ATOM 657 OD2 ASP A 41 5.569 -4.138 22.570 1.00 1.69 O ATOM 0 H ASP A 41 2.226 -2.466 21.141 1.00 0.21 H new ATOM 0 HA ASP A 41 4.159 -1.930 18.921 1.00 0.22 H new ATOM 0 HB2 ASP A 41 5.927 -3.112 20.177 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.370 -1.788 21.182 1.00 0.20 H new ATOM 662 N ASP A 42 3.974 -4.388 18.246 1.00 0.27 N ATOM 663 CA ASP A 42 3.637 -5.772 17.792 1.00 0.33 C ATOM 664 C ASP A 42 2.121 -6.020 17.813 1.00 0.33 C ATOM 665 O ASP A 42 1.671 -7.101 18.136 1.00 0.37 O ATOM 666 CB ASP A 42 4.343 -6.687 18.789 1.00 0.38 C ATOM 667 CG ASP A 42 4.055 -8.147 18.436 1.00 0.45 C ATOM 668 OD1 ASP A 42 3.475 -8.381 17.389 1.00 1.22 O ATOM 669 OD2 ASP A 42 4.422 -9.009 19.220 1.00 1.14 O ATOM 0 H ASP A 42 4.696 -3.919 17.700 1.00 0.27 H new ATOM 0 HA ASP A 42 3.954 -5.947 16.764 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.417 -6.503 18.770 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.000 -6.472 19.801 1.00 0.38 H new ATOM 674 N GLU A 43 1.338 -5.065 17.393 1.00 0.30 N ATOM 675 CA GLU A 43 -0.136 -5.297 17.300 1.00 0.31 C ATOM 676 C GLU A 43 -0.698 -5.731 18.656 1.00 0.30 C ATOM 677 O GLU A 43 -1.832 -6.154 18.764 1.00 0.31 O ATOM 678 CB GLU A 43 -0.298 -6.416 16.271 1.00 0.35 C ATOM 679 CG GLU A 43 0.245 -5.948 14.919 1.00 1.17 C ATOM 680 CD GLU A 43 0.017 -7.039 13.871 1.00 1.34 C ATOM 681 OE1 GLU A 43 -0.373 -8.129 14.256 1.00 1.93 O ATOM 682 OE2 GLU A 43 0.238 -6.766 12.703 1.00 1.68 O ATOM 0 H GLU A 43 1.651 -4.136 17.110 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.674 -4.394 17.011 1.00 0.31 H new ATOM 0 HB2 GLU A 43 0.236 -7.308 16.600 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -1.349 -6.690 16.178 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -0.252 -5.027 14.615 1.00 1.17 H new ATOM 0 HG3 GLU A 43 1.309 -5.724 15.000 1.00 1.17 H new ATOM 689 N LYS A 44 0.048 -5.529 19.703 1.00 0.29 N ATOM 690 CA LYS A 44 -0.481 -5.814 21.067 1.00 0.30 C ATOM 691 C LYS A 44 -0.247 -4.605 21.975 1.00 0.27 C ATOM 692 O LYS A 44 0.454 -3.678 21.618 1.00 0.26 O ATOM 693 CB LYS A 44 0.300 -7.034 21.565 1.00 0.34 C ATOM 694 CG LYS A 44 1.780 -6.678 21.715 1.00 1.29 C ATOM 695 CD LYS A 44 2.566 -7.926 22.123 1.00 1.23 C ATOM 696 CE LYS A 44 3.991 -7.528 22.513 1.00 1.90 C ATOM 697 NZ LYS A 44 4.402 -8.529 23.536 1.00 2.01 N ATOM 0 H LYS A 44 1.005 -5.178 19.675 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.553 -6.009 21.063 1.00 0.30 H new ATOM 0 HB2 LYS A 44 -0.102 -7.368 22.522 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.185 -7.861 20.865 1.00 0.34 H new ATOM 0 HG2 LYS A 44 2.167 -6.282 20.776 1.00 1.29 H new ATOM 0 HG3 LYS A 44 1.903 -5.896 22.465 1.00 1.29 H new ATOM 0 HD2 LYS A 44 2.074 -8.421 22.960 1.00 1.23 H new ATOM 0 HD3 LYS A 44 2.589 -8.639 21.299 1.00 1.23 H new ATOM 0 HE2 LYS A 44 4.657 -7.548 21.650 1.00 1.90 H new ATOM 0 HE3 LYS A 44 4.022 -6.516 22.916 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 5.371 -8.323 23.854 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 3.754 -8.482 24.348 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 4.369 -9.482 23.122 1.00 2.01 H new ATOM 711 N ILE A 45 -0.906 -4.559 23.097 1.00 0.28 N ATOM 712 CA ILE A 45 -0.810 -3.352 23.965 1.00 0.27 C ATOM 713 C ILE A 45 0.217 -3.576 25.078 1.00 0.27 C ATOM 714 O ILE A 45 0.204 -4.587 25.754 1.00 0.29 O ATOM 715 CB ILE A 45 -2.209 -3.186 24.554 1.00 0.30 C ATOM 716 CG1 ILE A 45 -3.231 -3.102 23.418 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.266 -1.902 25.385 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.643 -3.215 23.993 1.00 1.25 C ATOM 0 H ILE A 45 -1.507 -5.303 23.451 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.487 -2.469 23.413 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.439 -4.040 25.191 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -3.119 -2.159 22.883 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -3.056 -3.900 22.697 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.265 -1.784 25.805 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.537 -1.959 26.193 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -2.037 -1.047 24.749 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.371 -3.155 23.184 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.751 -4.169 24.508 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.815 -2.401 24.697 1.00 1.25 H new ATOM 730 N ILE A 46 1.068 -2.613 25.302 1.00 0.26 N ATOM 731 CA ILE A 46 2.067 -2.721 26.403 1.00 0.29 C ATOM 732 C ILE A 46 1.764 -1.683 27.488 1.00 0.29 C ATOM 733 O ILE A 46 1.750 -0.500 27.237 1.00 0.31 O ATOM 734 CB ILE A 46 3.418 -2.430 25.735 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.699 -3.493 24.672 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.535 -2.440 26.784 1.00 0.37 C ATOM 737 CD1 ILE A 46 3.445 -4.878 25.258 1.00 0.50 C ATOM 0 H ILE A 46 1.114 -1.748 24.764 1.00 0.26 H new ATOM 0 HA ILE A 46 2.054 -3.698 26.887 1.00 0.29 H new ATOM 0 HB ILE A 46 3.382 -1.447 25.266 1.00 0.32 H new ATOM 0 HG12 ILE A 46 3.061 -3.331 23.803 1.00 0.44 H new ATOM 0 HG13 ILE A 46 4.731 -3.415 24.329 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.490 -2.233 26.301 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.335 -1.676 27.536 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.576 -3.418 27.263 1.00 0.37 H new ATOM 0 HD11 ILE A 46 3.645 -5.636 24.501 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.102 -5.037 26.113 1.00 0.50 H new ATOM 0 HD13 ILE A 46 2.406 -4.952 25.580 1.00 0.50 H new ATOM 749 N LEU A 47 1.535 -2.114 28.697 1.00 0.28 N ATOM 750 CA LEU A 47 1.260 -1.134 29.790 1.00 0.29 C ATOM 751 C LEU A 47 2.299 -1.284 30.901 1.00 0.31 C ATOM 752 O LEU A 47 2.613 -2.377 31.322 1.00 0.39 O ATOM 753 CB LEU A 47 -0.128 -1.492 30.313 1.00 0.34 C ATOM 754 CG LEU A 47 -1.133 -1.477 29.159 1.00 0.90 C ATOM 755 CD1 LEU A 47 -1.025 -2.780 28.366 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.550 -1.339 29.721 1.00 1.24 C ATOM 0 H LEU A 47 1.526 -3.095 28.977 1.00 0.28 H new ATOM 0 HA LEU A 47 1.308 -0.104 29.438 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.109 -2.477 30.779 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.432 -0.782 31.082 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.917 -0.635 28.501 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.742 -2.767 27.545 1.00 1.66 H new ATOM 0 HD12 LEU A 47 -0.016 -2.880 27.965 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.240 -3.624 29.022 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.267 -1.328 28.900 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.764 -2.181 30.379 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.629 -0.409 30.284 1.00 1.24 H new ATOM 768 N LYS A 48 2.842 -0.198 31.371 1.00 0.29 N ATOM 769 CA LYS A 48 3.875 -0.295 32.445 1.00 0.35 C ATOM 770 C LYS A 48 3.739 0.867 33.430 1.00 0.28 C ATOM 771 O LYS A 48 3.110 1.864 33.145 1.00 0.25 O ATOM 772 CB LYS A 48 5.220 -0.228 31.721 1.00 0.47 C ATOM 773 CG LYS A 48 5.426 1.167 31.122 1.00 0.65 C ATOM 774 CD LYS A 48 6.770 1.205 30.393 1.00 0.85 C ATOM 775 CE LYS A 48 7.292 2.642 30.358 1.00 1.54 C ATOM 776 NZ LYS A 48 7.710 2.933 31.758 1.00 1.74 N ATOM 0 H LYS A 48 2.619 0.748 31.063 1.00 0.29 H new ATOM 0 HA LYS A 48 3.770 -1.212 33.024 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.028 -0.457 32.416 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.255 -0.980 30.933 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.617 1.403 30.431 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.403 1.921 31.909 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.488 0.558 30.898 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.656 0.824 29.378 1.00 0.85 H new ATOM 0 HE2 LYS A 48 8.129 2.741 29.667 1.00 1.54 H new ATOM 0 HE3 LYS A 48 6.519 3.335 30.024 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.471 3.642 31.753 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 6.898 3.301 32.293 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 8.053 2.060 32.206 1.00 1.74 H new ATOM 790 N LYS A 49 4.371 0.767 34.569 1.00 0.28 N ATOM 791 CA LYS A 49 4.325 1.893 35.543 1.00 0.25 C ATOM 792 C LYS A 49 4.856 3.169 34.896 1.00 0.22 C ATOM 793 O LYS A 49 5.696 3.128 34.019 1.00 0.24 O ATOM 794 CB LYS A 49 5.230 1.463 36.696 1.00 0.29 C ATOM 795 CG LYS A 49 5.231 2.546 37.777 1.00 0.30 C ATOM 796 CD LYS A 49 3.919 2.487 38.561 1.00 0.54 C ATOM 797 CE LYS A 49 3.940 3.540 39.671 1.00 1.08 C ATOM 798 NZ LYS A 49 2.604 4.196 39.603 1.00 1.65 N ATOM 0 H LYS A 49 4.915 -0.043 34.865 1.00 0.28 H new ATOM 0 HA LYS A 49 3.310 2.103 35.881 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.881 0.518 37.113 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.244 1.296 36.333 1.00 0.29 H new ATOM 0 HG2 LYS A 49 6.076 2.402 38.450 1.00 0.30 H new ATOM 0 HG3 LYS A 49 5.351 3.529 37.322 1.00 0.30 H new ATOM 0 HD2 LYS A 49 3.076 2.664 37.893 1.00 0.54 H new ATOM 0 HD3 LYS A 49 3.783 1.494 38.990 1.00 0.54 H new ATOM 0 HE2 LYS A 49 4.106 3.083 40.646 1.00 1.08 H new ATOM 0 HE3 LYS A 49 4.743 4.261 39.516 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 2.522 4.897 40.367 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 2.497 4.672 38.684 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 1.859 3.478 39.710 1.00 1.65 H new ATOM 812 N TYR A 50 4.327 4.295 35.273 1.00 0.20 N ATOM 813 CA TYR A 50 4.751 5.567 34.623 1.00 0.21 C ATOM 814 C TYR A 50 5.712 6.342 35.527 1.00 0.22 C ATOM 815 O TYR A 50 5.341 6.813 36.585 1.00 0.22 O ATOM 816 CB TYR A 50 3.457 6.353 34.423 1.00 0.20 C ATOM 817 CG TYR A 50 3.775 7.693 33.805 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.767 7.795 32.825 1.00 0.26 C ATOM 819 CD2 TYR A 50 3.081 8.834 34.221 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.064 9.039 32.258 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.378 10.079 33.657 1.00 0.28 C ATOM 822 CZ TYR A 50 4.370 10.182 32.674 1.00 0.30 C ATOM 823 OH TYR A 50 4.665 11.410 32.116 1.00 0.35 O ATOM 0 H TYR A 50 3.620 4.393 36.002 1.00 0.20 H new ATOM 0 HA TYR A 50 5.278 5.392 33.685 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.776 5.796 33.780 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.951 6.492 35.379 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.304 6.914 32.506 1.00 0.26 H new ATOM 0 HD2 TYR A 50 2.315 8.754 34.978 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.829 9.118 31.499 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.843 10.960 33.979 1.00 0.28 H new ATOM 0 HH TYR A 50 4.092 12.097 32.515 1.00 0.35 H new ATOM 995 N VAL B 9 0.044 8.604 29.063 1.00 0.32 N ATOM 996 CA VAL B 9 -0.312 8.059 30.406 1.00 0.29 C ATOM 997 C VAL B 9 -1.728 8.472 30.818 1.00 0.32 C ATOM 998 O VAL B 9 -2.154 9.589 30.600 1.00 0.37 O ATOM 999 CB VAL B 9 0.720 8.657 31.362 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.437 8.177 32.786 1.00 0.27 C ATOM 1001 CG2 VAL B 9 2.121 8.203 30.944 1.00 0.30 C ATOM 0 HA VAL B 9 -0.300 6.969 30.412 1.00 0.29 H new ATOM 0 HB VAL B 9 0.660 9.745 31.326 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.173 8.604 33.467 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.562 8.495 33.086 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.497 7.089 32.822 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.859 8.628 31.624 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.177 7.115 30.981 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.326 8.542 29.929 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.419 7.599 31.500 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.764 7.953 32.038 1.00 0.36 C ATOM 1013 C ARG B 10 -3.827 7.606 33.529 1.00 0.31 C ATOM 1014 O ARG B 10 -2.956 6.943 34.054 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.753 7.097 31.245 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.177 7.591 31.508 1.00 0.74 C ATOM 1017 CD ARG B 10 -7.171 6.720 30.735 1.00 0.87 C ATOM 1018 NE ARG B 10 -7.214 5.433 31.482 1.00 1.14 N ATOM 1019 CZ ARG B 10 -7.767 5.379 32.664 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.285 6.454 33.197 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -7.804 4.249 33.314 1.00 1.92 N ATOM 0 H ARG B 10 -2.108 6.650 31.709 1.00 0.31 H new ATOM 0 HA ARG B 10 -3.986 9.016 31.940 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.528 7.153 30.180 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.660 6.051 31.536 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.396 7.551 32.575 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.274 8.632 31.201 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -8.156 7.186 30.694 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.846 6.569 29.706 1.00 0.87 H new ATOM 0 HE ARG B 10 -6.811 4.592 31.070 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -8.258 7.338 32.690 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.716 6.408 34.120 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -7.401 3.409 32.899 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -8.236 4.206 34.237 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.824 8.078 34.225 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.902 7.799 35.689 1.00 0.30 C ATOM 1037 C LYS B 11 -5.560 6.439 35.943 1.00 0.26 C ATOM 1038 O LYS B 11 -6.442 6.020 35.221 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.763 8.926 36.262 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.046 10.265 36.069 1.00 1.03 C ATOM 1041 CD LYS B 11 -5.852 11.378 36.744 1.00 1.03 C ATOM 1042 CE LYS B 11 -5.200 12.730 36.448 1.00 1.81 C ATOM 1043 NZ LYS B 11 -3.804 12.603 36.952 1.00 2.21 N ATOM 0 H LYS B 11 -5.585 8.642 33.847 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.916 7.761 36.151 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -6.733 8.946 35.765 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -5.951 8.752 37.321 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -4.044 10.218 36.495 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.931 10.478 35.006 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.879 11.370 36.380 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -5.894 11.210 37.820 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -5.216 12.951 35.381 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -5.728 13.541 36.949 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -3.437 13.544 37.198 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -3.794 11.996 37.796 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -3.206 12.180 36.214 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.139 5.752 36.972 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.744 4.422 37.283 1.00 0.22 C ATOM 1059 C VAL B 12 -7.043 4.617 38.066 1.00 0.20 C ATOM 1060 O VAL B 12 -7.092 5.368 39.018 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.712 3.706 38.157 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.036 2.212 38.209 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.311 3.906 37.580 1.00 0.29 C ATOM 0 H VAL B 12 -4.403 6.053 37.611 1.00 0.23 H new ATOM 0 HA VAL B 12 -5.981 3.856 36.382 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.746 4.122 39.164 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.301 1.702 38.832 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.031 2.070 38.632 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.008 1.798 37.201 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.582 3.393 38.208 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.272 3.497 36.570 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.079 4.970 37.550 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.099 3.962 37.670 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.386 4.140 38.397 1.00 0.21 C ATOM 1075 C ASP B 13 -9.435 3.217 39.622 1.00 0.22 C ATOM 1076 O ASP B 13 -8.440 2.639 40.012 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.480 3.795 37.374 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.824 2.305 37.438 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.143 1.524 36.797 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.766 1.966 38.132 1.00 0.55 O ATOM 0 H ASP B 13 -8.127 3.316 36.881 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.515 5.153 38.778 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.372 4.389 37.573 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.142 4.053 36.370 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.542 3.194 40.311 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.599 2.452 41.606 1.00 0.26 C ATOM 1087 C GLU B 14 -10.222 0.975 41.429 1.00 0.26 C ATOM 1088 O GLU B 14 -9.647 0.370 42.311 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.052 2.578 42.065 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.376 4.047 42.341 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.810 4.166 42.860 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.518 3.173 42.819 1.00 1.99 O ATOM 1093 OE2 GLU B 14 -14.175 5.248 43.289 1.00 2.19 O ATOM 0 H GLU B 14 -11.409 3.655 40.036 1.00 0.23 H new ATOM 0 HA GLU B 14 -9.892 2.858 42.329 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.721 2.185 41.300 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.213 1.984 42.965 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.678 4.453 43.074 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -12.258 4.634 41.430 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.646 0.357 40.362 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.420 -1.114 40.227 1.00 0.25 C ATOM 1102 C LEU B 15 -9.028 -1.422 39.663 1.00 0.23 C ATOM 1103 O LEU B 15 -8.642 -2.568 39.549 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.503 -1.601 39.266 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.280 -3.085 38.965 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.041 -3.844 40.274 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.519 -3.652 38.267 1.00 1.39 C ATOM 0 H LEU B 15 -11.135 0.799 39.583 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.471 -1.611 41.196 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.489 -1.451 39.705 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.474 -1.022 38.343 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.411 -3.198 38.317 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.882 -4.901 40.058 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.161 -3.440 40.774 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.910 -3.733 40.923 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.363 -4.709 38.051 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.387 -3.538 38.917 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.690 -3.113 37.335 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.284 -0.428 39.269 1.00 0.21 N ATOM 1120 CA GLY B 16 -6.946 -0.708 38.672 1.00 0.20 C ATOM 1121 C GLY B 16 -7.116 -1.131 37.210 1.00 0.21 C ATOM 1122 O GLY B 16 -6.589 -2.139 36.774 1.00 0.21 O ATOM 0 H GLY B 16 -8.539 0.558 39.333 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.316 0.179 38.734 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.443 -1.496 39.233 1.00 0.20 H new ATOM 1126 N ARG B 17 -7.891 -0.398 36.460 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.141 -0.787 35.045 1.00 0.27 C ATOM 1128 C ARG B 17 -7.555 0.264 34.101 1.00 0.26 C ATOM 1129 O ARG B 17 -7.404 1.417 34.455 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.663 -0.844 34.916 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.200 -2.004 35.757 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.716 -2.104 35.586 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.261 -0.902 36.275 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.525 -0.855 36.606 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.322 -1.843 36.295 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -13.997 0.179 37.248 1.00 1.14 N ATOM 0 H ARG B 17 -8.362 0.453 36.766 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.677 -1.738 34.785 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.103 0.096 35.249 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -9.946 -0.976 33.872 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.727 -2.937 35.451 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -9.952 -1.850 36.807 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -11.995 -2.115 34.532 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.103 -3.022 36.028 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.648 -0.115 36.489 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -13.958 -2.653 35.793 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.308 -1.804 36.554 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.379 0.953 37.493 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -14.984 0.213 37.505 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.226 -0.125 32.902 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.651 0.851 31.933 1.00 0.26 C ATOM 1152 C VAL B 18 -7.502 0.886 30.664 1.00 0.24 C ATOM 1153 O VAL B 18 -8.179 -0.069 30.337 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.247 0.329 31.625 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.477 0.133 32.932 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.351 -1.009 30.889 1.00 0.26 C ATOM 0 H VAL B 18 -7.330 -1.077 32.550 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.626 1.865 32.331 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.721 1.049 30.998 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.476 -0.239 32.712 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.403 1.085 33.457 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.002 -0.587 33.559 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.351 -1.382 30.669 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -5.877 -1.729 31.516 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -5.899 -0.870 29.957 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.541 2.004 29.993 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.433 2.124 28.806 1.00 0.22 C ATOM 1168 C VAL B 19 -7.608 2.232 27.523 1.00 0.22 C ATOM 1169 O VAL B 19 -6.706 3.039 27.419 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.223 3.412 29.037 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.283 3.566 27.947 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.902 3.353 30.407 1.00 0.24 C ATOM 0 H VAL B 19 -6.996 2.837 30.214 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.081 1.255 28.692 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.545 4.265 29.003 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.845 4.485 28.113 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.798 3.609 26.972 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -10.963 2.714 27.977 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.466 4.271 30.573 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.579 2.500 30.441 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.145 3.246 31.184 1.00 0.24 H new ATOM 1182 N ILE B 20 -7.975 1.493 26.511 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.284 1.636 25.201 1.00 0.24 C ATOM 1184 C ILE B 20 -7.901 2.801 24.418 1.00 0.24 C ATOM 1185 O ILE B 20 -9.102 2.901 24.315 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.530 0.299 24.490 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.482 -0.718 24.947 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.429 0.479 22.973 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -5.081 -0.147 24.716 1.00 1.38 C ATOM 0 H ILE B 20 -8.722 0.799 26.536 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.220 1.851 25.298 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.529 -0.057 24.741 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.622 -0.951 26.003 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -6.601 -1.651 24.396 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.606 -0.477 22.481 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.175 1.201 22.642 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.434 0.842 22.715 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -4.335 -0.872 25.042 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -4.944 0.063 23.655 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -4.965 0.775 25.286 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.055 3.617 23.852 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.535 4.750 23.022 1.00 0.30 C ATOM 1203 C PRO B 21 -8.395 4.228 21.867 1.00 0.28 C ATOM 1204 O PRO B 21 -8.139 3.174 21.320 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.256 5.405 22.496 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.146 4.441 22.792 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.596 3.566 23.929 1.00 0.32 C ATOM 0 HA PRO B 21 -8.155 5.451 23.581 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.329 5.599 21.426 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -6.080 6.364 22.983 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.917 3.839 21.913 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.235 4.976 23.058 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.225 2.547 23.820 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.233 3.937 24.887 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.428 4.939 21.506 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.316 4.456 20.408 1.00 0.30 C ATOM 1217 C ILE B 22 -9.499 4.182 19.146 1.00 0.33 C ATOM 1218 O ILE B 22 -9.786 3.270 18.396 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.305 5.596 20.166 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.436 5.106 19.258 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.584 6.765 19.493 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.240 4.023 19.980 1.00 1.11 C ATOM 0 H ILE B 22 -9.696 5.831 21.922 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.821 3.525 20.668 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.719 5.925 21.119 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -13.087 5.938 18.989 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -12.025 4.710 18.329 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.290 7.577 19.321 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.778 7.115 20.138 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.169 6.437 18.540 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -14.045 3.675 19.333 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.585 3.187 20.226 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.664 4.434 20.896 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.464 4.940 18.917 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.618 4.689 17.717 1.00 0.40 C ATOM 1236 C GLU B 23 -7.079 3.258 17.756 1.00 0.37 C ATOM 1237 O GLU B 23 -6.967 2.594 16.744 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.474 5.697 17.824 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.610 5.623 16.565 1.00 1.22 C ATOM 1240 CD GLU B 23 -4.406 6.554 16.720 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.282 7.159 17.772 1.00 2.37 O ATOM 1242 OE2 GLU B 23 -3.628 6.645 15.785 1.00 2.00 O ATOM 0 H GLU B 23 -8.168 5.719 19.505 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.170 4.800 16.784 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -6.873 6.704 17.946 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.869 5.485 18.706 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -5.273 4.599 16.401 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -6.195 5.910 15.691 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.764 2.773 18.925 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.256 1.379 19.050 1.00 0.33 C ATOM 1251 C LEU B 24 -7.416 0.382 19.073 1.00 0.29 C ATOM 1252 O LEU B 24 -7.300 -0.722 18.581 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.486 1.352 20.369 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.268 2.272 20.266 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.408 2.125 21.523 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.443 1.884 19.037 1.00 1.75 C ATOM 0 H LEU B 24 -6.837 3.286 19.804 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.625 1.096 18.208 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.131 1.675 21.186 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.169 0.334 20.597 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.600 3.306 20.173 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.540 2.781 21.449 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -3.995 2.398 22.400 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.075 1.091 21.617 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.574 2.538 18.961 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.112 0.850 19.133 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -4.055 1.987 18.141 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.560 0.779 19.565 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.728 -0.145 19.513 1.00 0.23 C ATOM 1270 C ARG B 25 -9.991 -0.535 18.059 1.00 0.26 C ATOM 1271 O ARG B 25 -10.266 -1.677 17.748 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.924 0.648 20.054 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.675 1.087 21.500 1.00 0.21 C ATOM 1274 CD ARG B 25 -11.973 1.671 22.070 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.555 2.510 23.225 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.349 3.441 23.683 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.526 3.621 23.149 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -11.966 4.188 24.682 1.00 0.27 N ATOM 0 H ARG B 25 -8.734 1.688 19.994 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.555 -1.052 20.093 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.099 1.523 19.428 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.824 0.036 20.005 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.347 0.239 22.101 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.879 1.830 21.537 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.498 2.265 21.322 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.654 0.881 22.385 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.645 2.358 23.661 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.829 3.034 22.372 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.143 4.349 23.509 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.048 4.044 25.104 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.584 4.915 25.041 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.948 0.419 17.169 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.240 0.120 15.739 1.00 0.33 C ATOM 1294 C ARG B 26 -9.080 -0.653 15.103 1.00 0.35 C ATOM 1295 O ARG B 26 -9.278 -1.646 14.431 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.398 1.488 15.076 1.00 0.37 C ATOM 1297 CG ARG B 26 -11.611 2.207 15.668 1.00 1.07 C ATOM 1298 CD ARG B 26 -11.836 3.527 14.927 1.00 1.25 C ATOM 1299 NE ARG B 26 -12.892 4.230 15.707 1.00 1.86 N ATOM 1300 CZ ARG B 26 -14.137 3.842 15.622 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -14.462 2.838 14.854 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -15.059 4.461 16.307 1.00 3.27 N ATOM 0 H ARG B 26 -9.723 1.393 17.371 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.130 -0.499 15.623 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -9.498 2.084 15.230 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -10.522 1.370 14.000 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -12.496 1.576 15.586 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.452 2.396 16.730 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -10.920 4.116 14.882 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -12.154 3.354 13.899 1.00 1.25 H new ATOM 0 HE ARG B 26 -12.643 5.015 16.308 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -13.743 2.353 14.317 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -15.435 2.538 14.791 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -14.807 5.246 16.907 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -16.031 4.160 16.242 1.00 3.27 H new ATOM 1316 N THR B 27 -7.875 -0.186 15.282 1.00 0.37 N ATOM 1317 CA THR B 27 -6.705 -0.869 14.655 1.00 0.41 C ATOM 1318 C THR B 27 -6.542 -2.290 15.205 1.00 0.39 C ATOM 1319 O THR B 27 -6.049 -3.171 14.530 1.00 0.42 O ATOM 1320 CB THR B 27 -5.498 -0.007 15.025 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.729 1.332 14.608 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.248 -0.551 14.331 1.00 0.77 C ATOM 0 H THR B 27 -7.648 0.640 15.836 1.00 0.37 H new ATOM 0 HA THR B 27 -6.824 -0.968 13.576 1.00 0.41 H new ATOM 0 HB THR B 27 -5.351 -0.032 16.105 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.141 1.836 15.340 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.388 0.064 14.595 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.072 -1.578 14.651 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.392 -0.528 13.251 1.00 0.77 H new ATOM 1330 N LEU B 28 -6.886 -2.505 16.444 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.678 -3.853 17.048 1.00 0.35 C ATOM 1332 C LEU B 28 -7.890 -4.756 16.787 1.00 0.33 C ATOM 1333 O LEU B 28 -7.874 -5.930 17.100 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.506 -3.594 18.545 1.00 0.33 C ATOM 1335 CG LEU B 28 -5.990 -4.863 19.225 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.525 -5.087 18.844 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.103 -4.707 20.743 1.00 1.05 C ATOM 0 H LEU B 28 -7.301 -1.809 17.064 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.815 -4.364 16.621 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.807 -2.773 18.705 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.457 -3.294 18.985 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.584 -5.717 18.900 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.157 -5.991 19.329 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.443 -5.196 17.763 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -3.930 -4.234 19.169 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -5.736 -5.610 21.230 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.508 -3.853 21.066 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.146 -4.546 21.016 1.00 1.05 H new ATOM 1349 N GLY B 29 -8.928 -4.230 16.196 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.116 -5.077 15.892 1.00 0.32 C ATOM 1351 C GLY B 29 -10.784 -5.514 17.197 1.00 0.29 C ATOM 1352 O GLY B 29 -11.187 -6.650 17.349 1.00 0.29 O ATOM 0 H GLY B 29 -9.005 -3.254 15.911 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.824 -4.520 15.278 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.814 -5.952 15.316 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.897 -4.624 18.144 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.530 -4.997 19.442 1.00 0.24 C ATOM 1358 C ILE B 30 -12.813 -4.194 19.667 1.00 0.23 C ATOM 1359 O ILE B 30 -12.884 -3.016 19.383 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.493 -4.658 20.510 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.206 -5.438 20.234 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.036 -5.043 21.888 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.537 -6.921 20.056 1.00 0.30 C ATOM 0 H ILE B 30 -10.580 -3.657 18.076 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.810 -6.050 19.467 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.283 -3.589 20.488 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.720 -5.053 19.338 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.505 -5.307 21.058 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.296 -4.801 22.651 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -11.954 -4.490 22.085 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.245 -6.113 21.911 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.621 -7.477 19.859 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.004 -7.301 20.964 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.222 -7.043 19.217 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.836 -4.844 20.143 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.139 -4.155 20.359 1.00 0.23 C ATOM 1377 C ALA B 31 -15.798 -4.667 21.643 1.00 0.20 C ATOM 1378 O ALA B 31 -15.395 -5.669 22.201 1.00 0.19 O ATOM 1379 CB ALA B 31 -15.987 -4.527 19.143 1.00 0.23 C ATOM 0 H ALA B 31 -13.826 -5.833 20.394 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.024 -3.076 20.465 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -16.967 -4.057 19.225 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.493 -4.180 18.235 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.106 -5.610 19.100 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.802 -3.987 22.119 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.479 -4.435 23.369 1.00 0.21 C ATOM 1387 C GLU B 32 -17.909 -5.902 23.253 1.00 0.19 C ATOM 1388 O GLU B 32 -18.309 -6.358 22.201 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.703 -3.529 23.500 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.417 -3.822 24.821 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.706 -3.002 24.899 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -20.974 -2.267 23.963 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.403 -3.124 25.893 1.00 1.13 O ATOM 0 H GLU B 32 -17.184 -3.140 21.698 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.822 -4.368 24.237 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.400 -2.483 23.463 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.382 -3.694 22.663 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.645 -4.885 24.895 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.766 -3.577 25.660 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.883 -6.620 24.347 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.350 -8.043 24.352 1.00 0.20 C ATOM 1402 C LYS B 33 -17.330 -8.964 23.670 1.00 0.18 C ATOM 1403 O LYS B 33 -17.448 -10.172 23.725 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.674 -8.048 23.584 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.443 -9.331 23.907 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.736 -9.370 23.091 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.581 -10.568 23.530 1.00 1.35 C ATOM 1408 NZ LYS B 33 -21.641 -11.723 23.530 1.00 1.88 N ATOM 0 H LYS B 33 -17.554 -6.277 25.250 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.470 -8.414 25.370 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.269 -7.176 23.856 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.486 -7.983 22.512 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.830 -10.203 23.678 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.671 -9.372 24.972 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.296 -8.445 23.232 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.506 -9.444 22.028 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -23.009 -10.408 24.519 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -23.413 -10.736 22.846 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -22.175 -12.605 23.398 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -20.957 -11.614 22.755 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -21.134 -11.758 24.437 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.283 -8.420 23.114 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.217 -9.292 22.536 1.00 0.16 C ATOM 1424 C ASP B 34 -14.340 -9.857 23.653 1.00 0.19 C ATOM 1425 O ASP B 34 -14.454 -9.465 24.797 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.404 -8.383 21.619 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.215 -8.078 20.361 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.264 -8.678 20.194 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.772 -7.249 19.586 1.00 1.09 O ATOM 0 H ASP B 34 -16.118 -7.417 23.034 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.630 -10.142 21.993 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.152 -7.457 22.136 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.464 -8.865 21.351 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.513 -10.819 23.346 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.686 -11.452 24.414 1.00 0.28 C ATOM 1436 C ALA B 35 -11.236 -10.961 24.343 1.00 0.20 C ATOM 1437 O ALA B 35 -10.587 -11.051 23.319 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.759 -12.952 24.125 1.00 0.36 C ATOM 0 H ALA B 35 -13.374 -11.193 22.407 1.00 0.22 H new ATOM 0 HA ALA B 35 -13.047 -11.204 25.412 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.174 -13.495 24.868 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.797 -13.281 24.169 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.357 -13.151 23.131 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.694 -10.544 25.454 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.253 -10.162 25.494 1.00 0.21 C ATOM 1446 C LEU B 36 -8.466 -11.235 26.247 1.00 0.19 C ATOM 1447 O LEU B 36 -8.890 -11.690 27.287 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.205 -8.852 26.282 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.248 -7.874 25.747 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.575 -6.859 26.842 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.686 -7.146 24.523 1.00 0.56 C ATOM 0 H LEU B 36 -11.189 -10.451 26.341 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.826 -10.059 24.497 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.388 -9.048 27.338 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.211 -8.411 26.208 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.151 -8.413 25.458 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.320 -6.153 26.473 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.969 -7.380 27.715 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.670 -6.319 27.120 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.431 -6.448 24.141 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.787 -6.599 24.806 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.439 -7.873 23.749 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.273 -11.539 25.820 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.427 -12.462 26.627 1.00 0.20 C ATOM 1465 C GLU B 37 -5.328 -11.668 27.336 1.00 0.18 C ATOM 1466 O GLU B 37 -4.813 -10.700 26.813 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.834 -13.454 25.626 1.00 0.24 C ATOM 1468 CG GLU B 37 -5.073 -14.547 26.379 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.432 -15.508 25.376 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.572 -15.273 24.188 1.00 1.07 O ATOM 1471 OE2 GLU B 37 -3.810 -16.462 25.814 1.00 1.17 O ATOM 0 H GLU B 37 -6.851 -11.194 24.958 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.995 -12.979 27.401 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.627 -13.897 25.024 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.164 -12.937 24.939 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.306 -14.100 27.012 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.752 -15.090 27.036 1.00 0.26 H new ATOM 1478 N ILE B 38 -5.078 -11.982 28.576 1.00 0.20 N ATOM 1479 CA ILE B 38 -4.148 -11.151 29.387 1.00 0.20 C ATOM 1480 C ILE B 38 -2.831 -11.892 29.620 1.00 0.19 C ATOM 1481 O ILE B 38 -2.813 -13.053 29.993 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.875 -10.923 30.712 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -6.228 -10.262 30.443 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -4.032 -10.012 31.608 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -7.014 -10.155 31.751 1.00 0.84 C ATOM 0 H ILE B 38 -5.480 -12.782 29.064 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.897 -10.214 28.890 1.00 0.20 H new ATOM 0 HB ILE B 38 -5.030 -11.880 31.211 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -6.081 -9.271 30.013 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.791 -10.846 29.715 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.551 -9.850 32.553 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -3.067 -10.482 31.800 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.877 -9.055 31.110 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.978 -9.684 31.559 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -7.173 -11.152 32.163 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.452 -9.553 32.465 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.740 -11.220 29.380 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.397 -11.841 29.548 1.00 0.20 C ATOM 1499 C TYR B 39 0.413 -11.061 30.588 1.00 0.20 C ATOM 1500 O TYR B 39 0.255 -9.865 30.730 1.00 0.19 O ATOM 1501 CB TYR B 39 0.259 -11.700 28.176 1.00 0.23 C ATOM 1502 CG TYR B 39 -0.264 -12.744 27.229 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.588 -12.688 26.776 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.586 -13.760 26.789 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -2.060 -13.656 25.883 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.116 -14.728 25.898 1.00 0.36 C ATOM 1507 CZ TYR B 39 -1.206 -14.677 25.444 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.669 -15.635 24.565 1.00 0.45 O ATOM 0 H TYR B 39 -1.723 -10.249 29.069 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.454 -12.876 29.885 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.063 -10.706 27.774 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.340 -11.798 28.272 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -2.243 -11.899 27.115 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.608 -13.798 27.138 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -3.081 -13.617 25.532 1.00 0.37 H new ATOM 0 HE2 TYR B 39 0.773 -15.515 25.560 1.00 0.36 H new ATOM 0 HH TYR B 39 -2.224 -16.282 25.049 1.00 0.45 H new ATOM 1518 N VAL B 40 1.372 -11.687 31.211 1.00 0.21 N ATOM 1519 CA VAL B 40 2.285 -10.923 32.110 1.00 0.21 C ATOM 1520 C VAL B 40 3.746 -11.256 31.795 1.00 0.21 C ATOM 1521 O VAL B 40 4.170 -12.390 31.900 1.00 0.23 O ATOM 1522 CB VAL B 40 1.922 -11.372 33.524 1.00 0.24 C ATOM 1523 CG1 VAL B 40 2.908 -10.761 34.521 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.505 -10.899 33.856 1.00 0.26 C ATOM 0 H VAL B 40 1.563 -12.686 31.139 1.00 0.21 H new ATOM 0 HA VAL B 40 2.175 -9.846 31.986 1.00 0.21 H new ATOM 0 HB VAL B 40 1.969 -12.459 33.586 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.650 -11.081 35.531 1.00 0.26 H new ATOM 0 HG12 VAL B 40 3.919 -11.092 34.283 1.00 0.26 H new ATOM 0 HG13 VAL B 40 2.859 -9.674 34.461 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.242 -11.218 34.865 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.461 -9.812 33.796 1.00 0.26 H new ATOM 0 HG23 VAL B 40 -0.199 -11.331 33.144 1.00 0.26 H new ATOM 1534 N ASP B 41 4.529 -10.270 31.444 1.00 0.21 N ATOM 1535 CA ASP B 41 5.970 -10.531 31.159 1.00 0.21 C ATOM 1536 C ASP B 41 6.820 -9.309 31.525 1.00 0.24 C ATOM 1537 O ASP B 41 6.349 -8.193 31.517 1.00 0.26 O ATOM 1538 CB ASP B 41 6.037 -10.799 29.653 1.00 0.19 C ATOM 1539 CG ASP B 41 5.675 -9.526 28.883 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.242 -8.577 29.515 1.00 1.77 O ATOM 1541 OD2 ASP B 41 5.840 -9.523 27.675 1.00 1.68 O ATOM 0 H ASP B 41 4.234 -9.299 31.343 1.00 0.21 H new ATOM 0 HA ASP B 41 6.356 -11.368 31.741 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.039 -11.129 29.377 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.351 -11.603 29.387 1.00 0.19 H new ATOM 1546 N ASP B 42 8.099 -9.501 31.697 1.00 0.27 N ATOM 1547 CA ASP B 42 9.018 -8.336 31.887 1.00 0.32 C ATOM 1548 C ASP B 42 8.404 -7.279 32.815 1.00 0.32 C ATOM 1549 O ASP B 42 8.577 -6.093 32.611 1.00 0.37 O ATOM 1550 CB ASP B 42 9.206 -7.765 30.481 1.00 0.37 C ATOM 1551 CG ASP B 42 10.125 -6.544 30.543 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.675 -6.294 31.603 1.00 1.21 O ATOM 1553 OD2 ASP B 42 10.263 -5.880 29.529 1.00 1.14 O ATOM 0 H ASP B 42 8.551 -10.415 31.715 1.00 0.27 H new ATOM 0 HA ASP B 42 9.957 -8.635 32.353 1.00 0.32 H new ATOM 0 HB2 ASP B 42 9.634 -8.522 29.824 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.241 -7.485 30.059 1.00 0.37 H new ATOM 1558 N GLU B 43 7.771 -7.690 33.879 1.00 0.29 N ATOM 1559 CA GLU B 43 7.245 -6.696 34.865 1.00 0.30 C ATOM 1560 C GLU B 43 6.309 -5.699 34.176 1.00 0.29 C ATOM 1561 O GLU B 43 5.923 -4.699 34.748 1.00 0.30 O ATOM 1562 CB GLU B 43 8.485 -5.982 35.405 1.00 0.34 C ATOM 1563 CG GLU B 43 9.390 -6.994 36.110 1.00 1.17 C ATOM 1564 CD GLU B 43 10.595 -6.268 36.714 1.00 1.34 C ATOM 1565 OE1 GLU B 43 10.761 -5.094 36.425 1.00 1.92 O ATOM 1566 OE2 GLU B 43 11.331 -6.899 37.455 1.00 1.68 O ATOM 0 H GLU B 43 7.594 -8.667 34.111 1.00 0.29 H new ATOM 0 HA GLU B 43 6.667 -7.171 35.658 1.00 0.30 H new ATOM 0 HB2 GLU B 43 9.025 -5.502 34.589 1.00 0.34 H new ATOM 0 HB3 GLU B 43 8.191 -5.195 36.100 1.00 0.34 H new ATOM 0 HG2 GLU B 43 8.834 -7.512 36.892 1.00 1.17 H new ATOM 0 HG3 GLU B 43 9.726 -7.752 35.403 1.00 1.17 H new ATOM 1573 N LYS B 44 5.857 -6.021 32.997 1.00 0.29 N ATOM 1574 CA LYS B 44 4.847 -5.156 32.325 1.00 0.30 C ATOM 1575 C LYS B 44 3.674 -6.014 31.845 1.00 0.27 C ATOM 1576 O LYS B 44 3.731 -7.227 31.868 1.00 0.26 O ATOM 1577 CB LYS B 44 5.578 -4.515 31.140 1.00 0.34 C ATOM 1578 CG LYS B 44 5.998 -5.595 30.143 1.00 1.29 C ATOM 1579 CD LYS B 44 6.808 -4.958 29.012 1.00 1.23 C ATOM 1580 CE LYS B 44 7.014 -5.979 27.892 1.00 1.90 C ATOM 1581 NZ LYS B 44 7.094 -5.170 26.644 1.00 2.00 N ATOM 0 H LYS B 44 6.143 -6.846 32.469 1.00 0.29 H new ATOM 0 HA LYS B 44 4.439 -4.397 32.992 1.00 0.30 H new ATOM 0 HB2 LYS B 44 4.929 -3.789 30.651 1.00 0.34 H new ATOM 0 HB3 LYS B 44 6.455 -3.972 31.493 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.593 -6.358 30.646 1.00 1.29 H new ATOM 0 HG3 LYS B 44 5.117 -6.093 29.738 1.00 1.29 H new ATOM 0 HD2 LYS B 44 6.287 -4.081 28.627 1.00 1.23 H new ATOM 0 HD3 LYS B 44 7.772 -4.617 29.389 1.00 1.23 H new ATOM 0 HE2 LYS B 44 7.925 -6.557 28.047 1.00 1.90 H new ATOM 0 HE3 LYS B 44 6.189 -6.690 27.849 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 7.235 -5.801 25.830 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 6.210 -4.636 26.519 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 7.892 -4.507 26.711 1.00 2.00 H new ATOM 1595 N ILE B 45 2.577 -5.397 31.511 1.00 0.28 N ATOM 1596 CA ILE B 45 1.364 -6.184 31.150 1.00 0.26 C ATOM 1597 C ILE B 45 1.243 -6.311 29.630 1.00 0.26 C ATOM 1598 O ILE B 45 1.352 -5.341 28.906 1.00 0.29 O ATOM 1599 CB ILE B 45 0.196 -5.376 31.713 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.414 -5.147 33.210 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.108 -6.146 31.501 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.596 -4.117 33.721 1.00 1.24 C ATOM 0 H ILE B 45 2.466 -4.384 31.472 1.00 0.28 H new ATOM 0 HA ILE B 45 1.395 -7.198 31.548 1.00 0.26 H new ATOM 0 HB ILE B 45 0.137 -4.416 31.200 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.299 -6.085 33.753 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.430 -4.797 33.391 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.941 -5.569 31.903 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.263 -6.313 30.435 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -1.051 -7.106 32.014 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.441 -3.954 34.787 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.459 -3.177 33.186 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.608 -4.486 33.554 1.00 1.24 H new ATOM 1614 N ILE B 46 0.967 -7.495 29.155 1.00 0.26 N ATOM 1615 CA ILE B 46 0.776 -7.699 27.690 1.00 0.29 C ATOM 1616 C ILE B 46 -0.681 -8.075 27.401 1.00 0.28 C ATOM 1617 O ILE B 46 -1.185 -9.062 27.891 1.00 0.31 O ATOM 1618 CB ILE B 46 1.715 -8.857 27.333 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.161 -8.447 27.616 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.563 -9.217 25.854 1.00 0.37 C ATOM 1621 CD1 ILE B 46 3.425 -7.067 27.017 1.00 0.50 C ATOM 0 H ILE B 46 0.865 -8.336 29.723 1.00 0.26 H new ATOM 0 HA ILE B 46 0.994 -6.803 27.109 1.00 0.29 H new ATOM 0 HB ILE B 46 1.457 -9.726 27.938 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.342 -8.429 28.691 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.848 -9.178 27.189 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.234 -10.041 25.609 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.534 -9.516 25.656 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.813 -8.351 25.241 1.00 0.37 H new ATOM 0 HD11 ILE B 46 4.455 -6.774 27.218 1.00 0.50 H new ATOM 0 HD12 ILE B 46 3.261 -7.100 25.940 1.00 0.50 H new ATOM 0 HD13 ILE B 46 2.747 -6.340 27.465 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.359 -7.306 26.595 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.776 -7.645 26.266 1.00 0.29 C ATOM 1635 C LEU B 47 -2.929 -7.841 24.757 1.00 0.31 C ATOM 1636 O LEU B 47 -2.445 -7.053 23.971 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.598 -6.445 26.733 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.324 -6.181 28.214 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -2.008 -5.415 28.362 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.465 -5.348 28.801 1.00 1.23 C ATOM 0 H LEU B 47 -0.998 -6.462 26.151 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.100 -8.568 26.747 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.343 -5.565 26.143 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.660 -6.636 26.578 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.253 -7.130 28.745 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.813 -5.227 29.418 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.194 -6.006 27.942 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.078 -4.465 27.831 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.271 -5.159 29.857 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.534 -4.399 28.269 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.404 -5.892 28.696 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.588 -8.887 24.344 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.753 -9.123 22.882 1.00 0.34 C ATOM 1654 C LYS B 48 -5.132 -9.715 22.583 1.00 0.27 C ATOM 1655 O LYS B 48 -5.808 -10.214 23.459 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.650 -10.116 22.510 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.940 -11.479 23.142 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.817 -12.452 22.776 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.347 -13.886 22.823 1.00 1.54 C ATOM 1660 NZ LYS B 48 -3.243 -14.002 21.639 1.00 1.74 N ATOM 0 H LYS B 48 -4.017 -9.585 24.951 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.680 -8.198 22.310 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.588 -10.214 21.426 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.684 -9.745 22.853 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -3.015 -11.382 24.225 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.898 -11.861 22.789 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.437 -12.226 21.780 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -0.983 -12.339 23.469 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -1.533 -14.610 22.775 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -2.889 -14.077 23.749 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -3.294 -14.996 21.339 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -4.195 -13.667 21.890 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -2.866 -13.424 20.861 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.531 -9.710 21.339 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.838 -10.325 20.976 1.00 0.25 C ATOM 1676 C LYS B 49 -6.863 -11.792 21.405 1.00 0.22 C ATOM 1677 O LYS B 49 -5.845 -12.453 21.449 1.00 0.24 O ATOM 1678 CB LYS B 49 -6.927 -10.213 19.455 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.260 -10.795 18.977 1.00 0.30 C ATOM 1680 CD LYS B 49 -9.389 -9.812 19.289 1.00 0.54 C ATOM 1681 CE LYS B 49 -10.714 -10.375 18.770 1.00 1.08 C ATOM 1682 NZ LYS B 49 -11.686 -10.152 19.876 1.00 1.65 N ATOM 0 H LYS B 49 -5.009 -9.307 20.561 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.676 -9.831 21.468 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.844 -9.170 19.151 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.098 -10.747 18.991 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.220 -10.990 17.905 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -8.449 -11.750 19.468 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -9.450 -9.641 20.364 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -9.185 -8.847 18.824 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -11.029 -9.867 17.859 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.626 -11.434 18.530 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -12.637 -10.435 19.564 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -11.409 -10.721 20.702 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -11.692 -9.145 20.135 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.007 -12.286 21.785 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.079 -13.687 22.285 1.00 0.22 C ATOM 1698 C TYR B 50 -8.656 -14.614 21.212 1.00 0.25 C ATOM 1699 O TYR B 50 -9.805 -14.506 20.836 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.014 -13.622 23.491 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.201 -15.008 24.054 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.120 -15.894 24.106 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.458 -15.410 24.519 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.295 -17.182 24.625 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.635 -16.697 25.037 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.552 -17.585 25.091 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.726 -18.854 25.602 1.00 0.65 O ATOM 0 H TYR B 50 -8.894 -11.782 21.771 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.096 -14.082 22.543 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.599 -12.961 24.252 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -9.977 -13.204 23.197 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.150 -15.584 23.746 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.292 -14.726 24.478 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.460 -17.865 24.666 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.606 -17.006 25.395 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.658 -18.969 25.881 1.00 0.65 H new