USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0906) USER MOD Single : A 27 THR OG1 : rot 91:sc= 0.752 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -3.9! USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= 0.786 (180deg=0.589) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= 0.217 (180deg=-1.03!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ -170:sc=-0.00512 (180deg=-0.0868) USER MOD Single : B 27 THR OG1 : rot 91:sc= 0.724 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 180:sc= -4.11! USER MOD Single : B 44 LYS NZ :NH3+ -160:sc= 0.79 (180deg=0.559) USER MOD Single : B 48 LYS NZ :NH3+ 152:sc= 0.209 (180deg=-1.01!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N ILE A 8 -5.080 -15.537 30.940 1.00 0.37 N ATOM 93 CA ILE A 8 -6.410 -15.211 31.540 1.00 0.37 C ATOM 94 C ILE A 8 -7.158 -14.223 30.645 1.00 0.32 C ATOM 95 O ILE A 8 -6.590 -13.277 30.153 1.00 0.30 O ATOM 96 CB ILE A 8 -6.097 -14.572 32.889 1.00 0.40 C ATOM 97 CG1 ILE A 8 -5.192 -15.505 33.699 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.398 -14.335 33.657 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.777 -14.812 34.998 1.00 1.36 C ATOM 0 HA ILE A 8 -7.041 -16.094 31.647 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.590 -13.620 32.729 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.716 -16.434 33.922 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.309 -15.768 33.117 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.173 -13.878 34.621 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -8.044 -13.671 33.083 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.905 -15.287 33.816 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.133 -15.476 35.575 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -4.237 -13.895 34.764 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.665 -14.571 35.582 1.00 1.36 H new ATOM 111 N VAL A 9 -8.402 -14.475 30.368 1.00 0.32 N ATOM 112 CA VAL A 9 -9.146 -13.588 29.423 1.00 0.29 C ATOM 113 C VAL A 9 -10.322 -12.905 30.127 1.00 0.32 C ATOM 114 O VAL A 9 -11.000 -13.494 30.946 1.00 0.37 O ATOM 115 CB VAL A 9 -9.643 -14.510 28.310 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.471 -13.702 27.310 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.441 -15.130 27.588 1.00 0.30 C ATOM 0 H VAL A 9 -8.939 -15.253 30.751 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.513 -12.790 29.036 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.259 -15.299 28.740 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.826 -14.359 26.516 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.325 -13.256 27.821 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.854 -12.914 26.880 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.793 -15.788 26.794 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.827 -14.339 27.158 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.847 -15.705 28.298 1.00 0.30 H new ATOM 127 N ARG A 10 -10.599 -11.682 29.764 1.00 0.31 N ATOM 128 CA ARG A 10 -11.766 -10.964 30.353 1.00 0.36 C ATOM 129 C ARG A 10 -12.597 -10.326 29.237 1.00 0.31 C ATOM 130 O ARG A 10 -12.145 -10.194 28.119 1.00 0.27 O ATOM 131 CB ARG A 10 -11.161 -9.891 31.259 1.00 0.40 C ATOM 132 CG ARG A 10 -12.278 -9.190 32.035 1.00 0.73 C ATOM 133 CD ARG A 10 -11.680 -8.073 32.895 1.00 0.86 C ATOM 134 NE ARG A 10 -12.821 -7.559 33.704 1.00 1.13 N ATOM 135 CZ ARG A 10 -13.750 -6.835 33.142 1.00 1.36 C ATOM 136 NH1 ARG A 10 -13.686 -6.555 31.868 1.00 1.61 N ATOM 137 NH2 ARG A 10 -14.748 -6.389 33.857 1.00 1.91 N ATOM 0 H ARG A 10 -10.064 -11.146 29.081 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.429 -11.629 30.907 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.451 -10.343 31.951 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.608 -9.166 30.662 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -13.012 -8.777 31.343 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.803 -9.908 32.666 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -10.881 -8.451 33.534 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.248 -7.286 32.276 1.00 0.86 H new ATOM 0 HE ARG A 10 -12.876 -7.774 34.700 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -12.908 -6.903 31.308 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -14.414 -5.989 31.433 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -14.800 -6.607 34.852 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -15.475 -5.823 33.420 1.00 1.91 H new ATOM 151 N LYS A 11 -13.817 -9.962 29.516 1.00 0.32 N ATOM 152 CA LYS A 11 -14.677 -9.371 28.450 1.00 0.29 C ATOM 153 C LYS A 11 -14.428 -7.865 28.338 1.00 0.26 C ATOM 154 O LYS A 11 -14.135 -7.198 29.310 1.00 0.27 O ATOM 155 CB LYS A 11 -16.112 -9.649 28.899 1.00 0.33 C ATOM 156 CG LYS A 11 -16.356 -11.159 28.929 1.00 1.02 C ATOM 157 CD LYS A 11 -17.824 -11.433 29.263 1.00 1.03 C ATOM 158 CE LYS A 11 -18.040 -12.940 29.415 1.00 1.81 C ATOM 159 NZ LYS A 11 -18.142 -13.456 28.022 1.00 2.21 N ATOM 0 H LYS A 11 -14.256 -10.047 30.433 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.468 -9.797 27.469 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.284 -9.223 29.887 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.816 -9.170 28.219 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -16.104 -11.598 27.964 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -15.710 -11.628 29.671 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -18.100 -10.921 30.185 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.467 -11.040 28.475 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -17.212 -13.406 29.949 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -18.946 -13.154 29.983 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -19.108 -13.802 27.850 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -17.923 -12.692 27.352 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -17.467 -14.236 27.890 1.00 2.21 H new ATOM 173 N VAL A 12 -14.554 -7.321 27.156 1.00 0.22 N ATOM 174 CA VAL A 12 -14.336 -5.854 26.980 1.00 0.21 C ATOM 175 C VAL A 12 -15.604 -5.093 27.363 1.00 0.20 C ATOM 176 O VAL A 12 -16.684 -5.409 26.907 1.00 0.20 O ATOM 177 CB VAL A 12 -14.044 -5.665 25.489 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.419 -4.287 25.263 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.081 -6.750 25.005 1.00 0.28 C ATOM 0 H VAL A 12 -14.798 -7.828 26.305 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.525 -5.481 27.605 1.00 0.21 H new ATOM 0 HB VAL A 12 -14.976 -5.740 24.929 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.211 -4.152 24.202 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.111 -3.514 25.599 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.490 -4.212 25.828 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.878 -6.609 23.943 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.148 -6.684 25.565 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.530 -7.731 25.161 1.00 0.28 H new ATOM 189 N ASP A 13 -15.491 -4.094 28.192 1.00 0.20 N ATOM 190 CA ASP A 13 -16.704 -3.329 28.592 1.00 0.21 C ATOM 191 C ASP A 13 -17.015 -2.252 27.543 1.00 0.22 C ATOM 192 O ASP A 13 -16.443 -2.234 26.471 1.00 0.22 O ATOM 193 CB ASP A 13 -16.367 -2.717 29.959 1.00 0.21 C ATOM 194 CG ASP A 13 -15.732 -1.338 29.789 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.531 -1.273 29.596 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.459 -0.363 29.853 1.00 0.55 O ATOM 0 H ASP A 13 -14.616 -3.775 28.608 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.593 -3.956 28.658 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.273 -2.635 30.560 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.685 -3.373 30.499 1.00 0.21 H new ATOM 201 N GLU A 14 -18.001 -1.438 27.793 1.00 0.23 N ATOM 202 CA GLU A 14 -18.453 -0.467 26.751 1.00 0.26 C ATOM 203 C GLU A 14 -17.295 0.407 26.250 1.00 0.26 C ATOM 204 O GLU A 14 -17.253 0.777 25.094 1.00 0.29 O ATOM 205 CB GLU A 14 -19.507 0.392 27.449 1.00 0.28 C ATOM 206 CG GLU A 14 -20.147 1.340 26.432 1.00 1.22 C ATOM 207 CD GLU A 14 -21.126 2.271 27.148 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.241 2.162 28.358 1.00 1.99 O ATOM 209 OE2 GLU A 14 -21.745 3.079 26.475 1.00 2.19 O ATOM 0 H GLU A 14 -18.516 -1.401 28.673 1.00 0.23 H new ATOM 0 HA GLU A 14 -18.843 -0.979 25.871 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -20.269 -0.243 27.900 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.050 0.963 28.257 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -19.377 1.923 25.928 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.668 0.768 25.664 1.00 1.22 H new ATOM 216 N LEU A 15 -16.434 0.850 27.123 1.00 0.23 N ATOM 217 CA LEU A 15 -15.386 1.825 26.695 1.00 0.24 C ATOM 218 C LEU A 15 -14.168 1.115 26.092 1.00 0.22 C ATOM 219 O LEU A 15 -13.245 1.753 25.626 1.00 0.24 O ATOM 220 CB LEU A 15 -14.990 2.575 27.965 1.00 0.28 C ATOM 221 CG LEU A 15 -13.825 3.518 27.652 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.139 4.317 26.384 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.623 4.483 28.822 1.00 1.38 C ATOM 0 H LEU A 15 -16.408 0.583 28.107 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.763 2.493 25.920 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -15.839 3.142 28.347 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.702 1.869 28.744 1.00 0.28 H new ATOM 0 HG LEU A 15 -12.918 2.934 27.498 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.309 4.988 26.162 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.285 3.632 25.549 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.047 4.901 26.537 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -12.794 5.155 28.600 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.532 5.066 28.974 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.399 3.917 29.726 1.00 1.38 H new ATOM 235 N GLY A 16 -14.126 -0.188 26.126 1.00 0.21 N ATOM 236 CA GLY A 16 -12.929 -0.892 25.584 1.00 0.19 C ATOM 237 C GLY A 16 -11.806 -0.873 26.624 1.00 0.20 C ATOM 238 O GLY A 16 -10.676 -0.526 26.330 1.00 0.20 O ATOM 0 H GLY A 16 -14.859 -0.790 26.501 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.184 -1.920 25.329 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.596 -0.409 24.665 1.00 0.19 H new ATOM 242 N ARG A 17 -12.113 -1.188 27.853 1.00 0.24 N ATOM 243 CA ARG A 17 -11.073 -1.135 28.916 1.00 0.26 C ATOM 244 C ARG A 17 -10.788 -2.543 29.444 1.00 0.26 C ATOM 245 O ARG A 17 -11.626 -3.421 29.382 1.00 0.26 O ATOM 246 CB ARG A 17 -11.677 -0.255 30.011 1.00 0.28 C ATOM 247 CG ARG A 17 -11.811 1.178 29.491 1.00 0.28 C ATOM 248 CD ARG A 17 -12.367 2.078 30.597 1.00 0.29 C ATOM 249 NE ARG A 17 -13.784 1.654 30.761 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.633 2.439 31.375 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.229 3.574 31.881 1.00 0.73 N ATOM 252 NH2 ARG A 17 -15.886 2.091 31.483 1.00 1.15 N ATOM 0 H ARG A 17 -13.039 -1.480 28.165 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.125 -0.738 28.554 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.653 -0.640 30.306 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.045 -0.274 30.899 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -10.840 1.548 29.162 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.471 1.200 28.624 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.808 1.955 31.525 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.299 3.130 30.321 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.093 0.753 30.396 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.251 3.850 31.798 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -14.892 4.184 32.359 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.205 1.206 31.089 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.546 2.704 31.962 1.00 1.15 H new ATOM 266 N VAL A 18 -9.610 -2.765 29.955 1.00 0.26 N ATOM 267 CA VAL A 18 -9.266 -4.117 30.481 1.00 0.25 C ATOM 268 C VAL A 18 -8.816 -4.006 31.938 1.00 0.24 C ATOM 269 O VAL A 18 -8.395 -2.960 32.386 1.00 0.24 O ATOM 270 CB VAL A 18 -8.115 -4.605 29.600 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.535 -4.542 28.130 1.00 0.28 C ATOM 272 CG2 VAL A 18 -6.892 -3.713 29.819 1.00 0.26 C ATOM 0 H VAL A 18 -8.869 -2.068 30.032 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.113 -4.802 30.456 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.867 -5.633 29.863 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.715 -4.890 27.502 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.407 -5.177 27.973 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.783 -3.514 27.866 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.071 -4.060 29.191 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.140 -2.685 29.556 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.592 -3.757 30.866 1.00 0.26 H new ATOM 282 N VAL A 19 -8.991 -5.046 32.705 1.00 0.22 N ATOM 283 CA VAL A 19 -8.673 -4.954 34.158 1.00 0.21 C ATOM 284 C VAL A 19 -7.466 -5.828 34.504 1.00 0.22 C ATOM 285 O VAL A 19 -7.423 -6.998 34.180 1.00 0.23 O ATOM 286 CB VAL A 19 -9.924 -5.471 34.865 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.809 -5.208 36.368 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.156 -4.752 34.313 1.00 0.24 C ATOM 0 H VAL A 19 -9.339 -5.952 32.391 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.418 -3.937 34.457 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.021 -6.543 34.692 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.702 -5.577 36.871 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -8.932 -5.722 36.761 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.710 -4.137 36.543 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.049 -5.121 34.817 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.059 -3.680 34.485 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.239 -4.942 33.243 1.00 0.24 H new ATOM 298 N ILE A 20 -6.544 -5.303 35.264 1.00 0.22 N ATOM 299 CA ILE A 20 -5.415 -6.144 35.749 1.00 0.24 C ATOM 300 C ILE A 20 -5.859 -6.920 36.994 1.00 0.24 C ATOM 301 O ILE A 20 -6.419 -6.351 37.903 1.00 0.23 O ATOM 302 CB ILE A 20 -4.304 -5.139 36.084 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.477 -4.862 34.826 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.391 -5.700 37.178 1.00 0.24 C ATOM 305 CD1 ILE A 20 -2.846 -6.165 34.333 1.00 1.38 C ATOM 0 H ILE A 20 -6.524 -4.330 35.569 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.080 -6.882 35.020 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.758 -4.215 36.442 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -4.110 -4.435 34.048 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -2.700 -4.129 35.043 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.608 -4.976 37.405 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -3.977 -5.895 38.076 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -2.937 -6.629 36.832 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -2.257 -5.968 33.437 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -2.199 -6.573 35.110 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -3.631 -6.884 34.100 1.00 1.38 H new ATOM 317 N PRO A 21 -5.546 -8.187 37.016 1.00 0.28 N ATOM 318 CA PRO A 21 -5.873 -9.024 38.197 1.00 0.30 C ATOM 319 C PRO A 21 -5.201 -8.449 39.445 1.00 0.28 C ATOM 320 O PRO A 21 -4.108 -7.928 39.387 1.00 0.27 O ATOM 321 CB PRO A 21 -5.308 -10.404 37.850 1.00 0.35 C ATOM 322 CG PRO A 21 -4.412 -10.196 36.666 1.00 0.35 C ATOM 323 CD PRO A 21 -4.870 -8.946 35.966 1.00 0.32 C ATOM 0 HA PRO A 21 -6.941 -9.064 38.411 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.754 -10.822 38.691 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.108 -11.106 37.616 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.374 -10.099 36.983 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.461 -11.052 35.993 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.030 -8.391 35.548 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.544 -9.174 35.140 1.00 0.32 H new ATOM 331 N ILE A 22 -5.869 -8.482 40.565 1.00 0.30 N ATOM 332 CA ILE A 22 -5.288 -7.864 41.794 1.00 0.30 C ATOM 333 C ILE A 22 -3.912 -8.460 42.091 1.00 0.32 C ATOM 334 O ILE A 22 -3.041 -7.794 42.612 1.00 0.32 O ATOM 335 CB ILE A 22 -6.279 -8.193 42.912 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.004 -7.293 44.119 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.125 -9.660 43.323 1.00 0.42 C ATOM 338 CD1 ILE A 22 -4.620 -7.609 44.688 1.00 1.11 C ATOM 0 H ILE A 22 -6.788 -8.908 40.684 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.144 -6.789 41.686 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.295 -8.023 42.555 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.057 -6.245 43.824 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -6.766 -7.448 44.882 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.832 -9.891 44.120 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.324 -10.301 42.464 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.109 -9.834 43.678 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -4.425 -6.968 45.547 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -4.584 -8.653 44.999 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -3.863 -7.432 43.924 1.00 1.11 H new ATOM 350 N GLU A 23 -3.698 -9.700 41.754 1.00 0.36 N ATOM 351 CA GLU A 23 -2.362 -10.305 42.014 1.00 0.40 C ATOM 352 C GLU A 23 -1.281 -9.508 41.277 1.00 0.37 C ATOM 353 O GLU A 23 -0.195 -9.293 41.779 1.00 0.39 O ATOM 354 CB GLU A 23 -2.458 -11.729 41.455 1.00 0.44 C ATOM 355 CG GLU A 23 -2.371 -11.694 39.928 1.00 1.22 C ATOM 356 CD GLU A 23 -2.624 -13.097 39.371 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.753 -14.014 40.163 1.00 2.01 O ATOM 358 OE2 GLU A 23 -2.687 -13.228 38.159 1.00 2.37 O ATOM 0 H GLU A 23 -4.382 -10.316 41.314 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.099 -10.302 43.072 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -1.654 -12.343 41.860 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -3.397 -12.188 41.764 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -3.104 -10.994 39.527 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -1.388 -11.339 39.617 1.00 1.22 H new ATOM 365 N LEU A 24 -1.606 -8.999 40.121 1.00 0.34 N ATOM 366 CA LEU A 24 -0.642 -8.143 39.375 1.00 0.33 C ATOM 367 C LEU A 24 -0.659 -6.718 39.928 1.00 0.29 C ATOM 368 O LEU A 24 0.352 -6.049 39.959 1.00 0.29 O ATOM 369 CB LEU A 24 -1.124 -8.165 37.925 1.00 0.33 C ATOM 370 CG LEU A 24 -1.057 -9.595 37.384 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.390 -9.593 35.891 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.355 -10.149 37.590 1.00 1.75 C ATOM 0 H LEU A 24 -2.504 -9.140 39.658 1.00 0.34 H new ATOM 0 HA LEU A 24 0.382 -8.504 39.466 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.146 -7.790 37.865 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.506 -7.505 37.316 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.776 -10.219 37.915 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.342 -10.612 35.506 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.394 -9.196 35.743 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.671 -8.970 35.359 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.406 -11.168 37.206 1.00 1.75 H new ATOM 0 HD22 LEU A 24 1.072 -9.524 37.058 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.594 -10.150 38.654 1.00 1.75 H new ATOM 384 N ARG A 25 -1.771 -6.279 40.452 1.00 0.25 N ATOM 385 CA ARG A 25 -1.791 -4.932 41.090 1.00 0.23 C ATOM 386 C ARG A 25 -0.736 -4.885 42.192 1.00 0.25 C ATOM 387 O ARG A 25 -0.028 -3.912 42.348 1.00 0.25 O ATOM 388 CB ARG A 25 -3.186 -4.773 41.706 1.00 0.22 C ATOM 389 CG ARG A 25 -4.270 -4.863 40.630 1.00 0.21 C ATOM 390 CD ARG A 25 -5.625 -4.512 41.259 1.00 0.22 C ATOM 391 NE ARG A 25 -6.648 -5.083 40.344 1.00 0.23 N ATOM 392 CZ ARG A 25 -7.862 -5.301 40.773 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.187 -5.013 42.005 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.754 -5.808 39.967 1.00 0.27 N ATOM 0 H ARG A 25 -2.655 -6.787 40.467 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.579 -4.139 40.373 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.347 -5.547 42.456 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.255 -3.813 42.218 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.046 -4.179 39.811 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.299 -5.867 40.208 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.714 -4.935 42.260 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.744 -3.433 41.357 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.401 -5.305 39.379 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.491 -4.616 42.636 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.137 -5.185 42.335 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.502 -6.033 39.004 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.703 -5.979 40.299 1.00 0.27 H new ATOM 408 N ARG A 26 -0.664 -5.916 42.985 1.00 0.29 N ATOM 409 CA ARG A 26 0.308 -5.917 44.117 1.00 0.33 C ATOM 410 C ARG A 26 1.741 -6.081 43.600 1.00 0.35 C ATOM 411 O ARG A 26 2.633 -5.343 43.968 1.00 0.35 O ATOM 412 CB ARG A 26 -0.088 -7.120 44.974 1.00 0.37 C ATOM 413 CG ARG A 26 0.769 -7.149 46.241 1.00 1.07 C ATOM 414 CD ARG A 26 0.410 -8.382 47.074 1.00 1.25 C ATOM 415 NE ARG A 26 1.197 -8.242 48.329 1.00 1.85 N ATOM 416 CZ ARG A 26 1.154 -9.179 49.240 1.00 2.32 C ATOM 417 NH1 ARG A 26 0.420 -10.243 49.053 1.00 2.40 N ATOM 418 NH2 ARG A 26 1.846 -9.051 50.339 1.00 3.26 N ATOM 0 H ARG A 26 -1.234 -6.758 42.900 1.00 0.29 H new ATOM 0 HA ARG A 26 0.282 -4.983 44.678 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -1.144 -7.060 45.238 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.048 -8.042 44.409 1.00 0.37 H new ATOM 0 HG2 ARG A 26 1.826 -7.171 45.977 1.00 1.07 H new ATOM 0 HG3 ARG A 26 0.605 -6.243 46.824 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -0.659 -8.421 47.281 1.00 1.25 H new ATOM 0 HD3 ARG A 26 0.666 -9.302 46.548 1.00 1.25 H new ATOM 0 HE ARG A 26 1.772 -7.413 48.479 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -0.122 -10.345 48.195 1.00 2.40 H new ATOM 0 HH12 ARG A 26 0.388 -10.972 49.765 1.00 2.40 H new ATOM 0 HH21 ARG A 26 2.420 -8.221 50.487 1.00 3.26 H new ATOM 0 HH22 ARG A 26 1.813 -9.781 51.050 1.00 3.26 H new ATOM 432 N THR A 27 1.971 -7.061 42.772 1.00 0.37 N ATOM 433 CA THR A 27 3.354 -7.306 42.264 1.00 0.41 C ATOM 434 C THR A 27 3.854 -6.122 41.431 1.00 0.39 C ATOM 435 O THR A 27 5.037 -5.859 41.363 1.00 0.42 O ATOM 436 CB THR A 27 3.240 -8.559 41.396 1.00 0.44 C ATOM 437 OG1 THR A 27 2.661 -9.610 42.156 1.00 0.61 O ATOM 438 CG2 THR A 27 4.630 -8.979 40.917 1.00 0.77 C ATOM 0 H THR A 27 1.261 -7.705 42.423 1.00 0.37 H new ATOM 0 HA THR A 27 4.066 -7.430 43.080 1.00 0.41 H new ATOM 0 HB THR A 27 2.610 -8.346 40.532 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.688 -9.599 42.042 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.547 -9.873 40.298 1.00 0.77 H new ATOM 0 HG22 THR A 27 5.072 -8.173 40.332 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.263 -9.192 41.779 1.00 0.77 H new ATOM 446 N LEU A 28 2.974 -5.438 40.755 1.00 0.35 N ATOM 447 CA LEU A 28 3.420 -4.317 39.880 1.00 0.34 C ATOM 448 C LEU A 28 3.498 -3.009 40.672 1.00 0.32 C ATOM 449 O LEU A 28 3.945 -1.997 40.166 1.00 0.33 O ATOM 450 CB LEU A 28 2.358 -4.226 38.782 1.00 0.32 C ATOM 451 CG LEU A 28 2.851 -3.301 37.670 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.947 -4.007 36.867 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.685 -2.954 36.741 1.00 1.05 C ATOM 0 H LEU A 28 1.968 -5.605 40.770 1.00 0.35 H new ATOM 0 HA LEU A 28 4.416 -4.488 39.471 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.150 -5.217 38.379 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.423 -3.848 39.196 1.00 0.32 H new ATOM 0 HG LEU A 28 3.252 -2.388 38.109 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.299 -3.348 36.074 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.778 -4.257 37.527 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.545 -4.920 36.428 1.00 0.70 H new ATOM 0 HD21 LEU A 28 2.036 -2.294 35.948 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.285 -3.868 36.302 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.903 -2.452 37.311 1.00 1.05 H new ATOM 465 N GLY A 29 3.094 -3.019 41.912 1.00 0.32 N ATOM 466 CA GLY A 29 3.174 -1.774 42.729 1.00 0.32 C ATOM 467 C GLY A 29 2.222 -0.722 42.160 1.00 0.29 C ATOM 468 O GLY A 29 2.559 0.440 42.051 1.00 0.29 O ATOM 0 H GLY A 29 2.713 -3.833 42.395 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.915 -1.990 43.765 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.195 -1.392 42.729 1.00 0.32 H new ATOM 472 N ILE A 30 1.044 -1.122 41.781 1.00 0.27 N ATOM 473 CA ILE A 30 0.077 -0.146 41.198 1.00 0.24 C ATOM 474 C ILE A 30 -1.161 -0.014 42.087 1.00 0.23 C ATOM 475 O ILE A 30 -1.659 -0.979 42.631 1.00 0.26 O ATOM 476 CB ILE A 30 -0.301 -0.714 39.834 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.961 -0.880 38.984 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.266 0.242 39.130 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.753 0.431 38.990 1.00 0.29 C ATOM 0 H ILE A 30 0.705 -2.082 41.848 1.00 0.27 H new ATOM 0 HA ILE A 30 0.511 0.851 41.116 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.782 -1.683 39.966 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.574 -1.690 39.378 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.692 -1.151 37.963 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.535 -0.165 38.155 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.165 0.362 39.734 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.786 1.212 38.998 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.652 0.315 38.385 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.138 1.230 38.576 1.00 0.29 H new ATOM 0 HD13 ILE A 30 2.033 0.682 40.013 1.00 0.29 H new ATOM 491 N ALA A 31 -1.630 1.186 42.265 1.00 0.22 N ATOM 492 CA ALA A 31 -2.803 1.419 43.154 1.00 0.23 C ATOM 493 C ALA A 31 -3.698 2.512 42.564 1.00 0.20 C ATOM 494 O ALA A 31 -3.311 3.227 41.663 1.00 0.18 O ATOM 495 CB ALA A 31 -2.209 1.884 44.480 1.00 0.23 C ATOM 0 H ALA A 31 -1.248 2.025 41.829 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.416 0.526 43.271 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.012 2.077 45.191 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.552 1.109 44.876 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.637 2.798 44.322 1.00 0.23 H new ATOM 501 N GLU A 32 -4.895 2.648 43.063 1.00 0.22 N ATOM 502 CA GLU A 32 -5.810 3.693 42.525 1.00 0.21 C ATOM 503 C GLU A 32 -5.131 5.066 42.546 1.00 0.19 C ATOM 504 O GLU A 32 -4.369 5.377 43.439 1.00 0.20 O ATOM 505 CB GLU A 32 -7.016 3.680 43.465 1.00 0.25 C ATOM 506 CG GLU A 32 -8.095 4.623 42.925 1.00 0.27 C ATOM 507 CD GLU A 32 -9.258 4.689 43.916 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.168 4.047 44.950 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.219 5.382 43.625 1.00 1.13 O ATOM 0 H GLU A 32 -5.279 2.081 43.819 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.091 3.498 41.490 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.412 2.668 43.551 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.714 3.990 44.465 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.679 5.618 42.770 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.449 4.271 41.956 1.00 0.27 H new ATOM 516 N LYS A 33 -5.444 5.901 41.589 1.00 0.19 N ATOM 517 CA LYS A 33 -4.879 7.289 41.549 1.00 0.20 C ATOM 518 C LYS A 33 -3.408 7.276 41.112 1.00 0.18 C ATOM 519 O LYS A 33 -2.827 8.311 40.856 1.00 0.21 O ATOM 520 CB LYS A 33 -5.007 7.829 42.977 1.00 0.23 C ATOM 521 CG LYS A 33 -4.875 9.353 42.958 1.00 0.29 C ATOM 522 CD LYS A 33 -5.083 9.903 44.370 1.00 0.87 C ATOM 523 CE LYS A 33 -3.916 9.474 45.262 1.00 1.35 C ATOM 524 NZ LYS A 33 -4.417 9.637 46.656 1.00 1.88 N ATOM 0 H LYS A 33 -6.077 5.679 40.820 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.411 7.911 40.829 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.969 7.542 43.401 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.236 7.394 43.613 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.891 9.638 42.587 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.609 9.783 42.277 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.152 10.990 44.342 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -6.023 9.534 44.781 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -3.627 8.442 45.065 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -3.035 10.091 45.084 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -3.672 9.362 47.327 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -4.678 10.631 46.817 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -5.251 9.032 46.798 1.00 1.88 H new ATOM 538 N ASP A 34 -2.828 6.119 40.928 1.00 0.16 N ATOM 539 CA ASP A 34 -1.434 6.070 40.398 1.00 0.16 C ATOM 540 C ASP A 34 -1.438 6.314 38.889 1.00 0.19 C ATOM 541 O ASP A 34 -2.479 6.361 38.264 1.00 0.20 O ATOM 542 CB ASP A 34 -0.933 4.665 40.717 1.00 0.17 C ATOM 543 CG ASP A 34 -0.642 4.561 42.214 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.710 5.579 42.884 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.355 3.467 42.662 1.00 1.08 O ATOM 0 H ASP A 34 -3.255 5.213 41.120 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.796 6.834 40.842 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.680 3.926 40.428 1.00 0.17 H new ATOM 0 HB3 ASP A 34 -0.032 4.449 40.144 1.00 0.17 H new ATOM 550 N ALA A 35 -0.291 6.545 38.310 1.00 0.22 N ATOM 551 CA ALA A 35 -0.247 6.876 36.856 1.00 0.28 C ATOM 552 C ALA A 35 0.245 5.676 36.040 1.00 0.20 C ATOM 553 O ALA A 35 1.296 5.123 36.300 1.00 0.16 O ATOM 554 CB ALA A 35 0.739 8.040 36.748 1.00 0.36 C ATOM 0 H ALA A 35 0.615 6.519 38.778 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.232 7.132 36.465 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.829 8.345 35.705 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.377 8.879 37.342 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.714 7.726 37.120 1.00 0.36 H new ATOM 560 N LEU A 36 -0.460 5.339 34.994 1.00 0.24 N ATOM 561 CA LEU A 36 0.010 4.254 34.082 1.00 0.21 C ATOM 562 C LEU A 36 0.483 4.866 32.764 1.00 0.20 C ATOM 563 O LEU A 36 -0.158 5.745 32.227 1.00 0.23 O ATOM 564 CB LEU A 36 -1.220 3.384 33.831 1.00 0.34 C ATOM 565 CG LEU A 36 -1.896 3.033 35.154 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.336 2.599 34.878 1.00 0.55 C ATOM 567 CD2 LEU A 36 -1.137 1.887 35.827 1.00 0.56 C ATOM 0 H LEU A 36 -1.346 5.770 34.730 1.00 0.24 H new ATOM 0 HA LEU A 36 0.837 3.685 34.507 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.922 3.911 33.184 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.929 2.472 33.310 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.893 3.902 35.812 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.826 2.346 35.818 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.875 3.414 34.395 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.334 1.727 34.224 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.620 1.636 36.772 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -1.142 1.014 35.174 1.00 0.56 H new ATOM 0 HD23 LEU A 36 -0.108 2.193 36.015 1.00 0.56 H new ATOM 579 N GLU A 37 1.503 4.320 32.162 1.00 0.19 N ATOM 580 CA GLU A 37 1.882 4.793 30.804 1.00 0.21 C ATOM 581 C GLU A 37 1.552 3.712 29.773 1.00 0.19 C ATOM 582 O GLU A 37 1.637 2.531 30.049 1.00 0.20 O ATOM 583 CB GLU A 37 3.388 5.053 30.865 1.00 0.25 C ATOM 584 CG GLU A 37 3.855 5.669 29.545 1.00 0.26 C ATOM 585 CD GLU A 37 5.372 5.867 29.582 1.00 0.37 C ATOM 586 OE1 GLU A 37 5.969 5.527 30.590 1.00 1.17 O ATOM 587 OE2 GLU A 37 5.909 6.356 28.603 1.00 1.08 O ATOM 0 H GLU A 37 2.084 3.575 32.547 1.00 0.19 H new ATOM 0 HA GLU A 37 1.341 5.692 30.510 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.618 5.724 31.693 1.00 0.25 H new ATOM 0 HB3 GLU A 37 3.921 4.121 31.052 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.583 5.020 28.712 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.357 6.625 29.381 1.00 0.26 H new ATOM 594 N ILE A 38 1.037 4.111 28.646 1.00 0.21 N ATOM 595 CA ILE A 38 0.534 3.118 27.658 1.00 0.20 C ATOM 596 C ILE A 38 1.465 3.048 26.450 1.00 0.20 C ATOM 597 O ILE A 38 1.878 4.058 25.905 1.00 0.24 O ATOM 598 CB ILE A 38 -0.843 3.637 27.243 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.724 3.790 28.484 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.493 2.645 26.276 1.00 0.73 C ATOM 601 CD1 ILE A 38 -3.057 4.429 28.090 1.00 0.84 C ATOM 0 H ILE A 38 0.942 5.087 28.365 1.00 0.21 H new ATOM 0 HA ILE A 38 0.485 2.112 28.075 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.734 4.604 26.752 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.897 2.816 28.942 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.219 4.407 29.227 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.475 3.015 25.980 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.865 2.534 25.392 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.603 1.678 26.766 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.684 4.538 28.975 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.875 5.410 27.652 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.563 3.795 27.362 1.00 0.84 H new ATOM 613 N TYR A 39 1.804 1.855 26.051 1.00 0.19 N ATOM 614 CA TYR A 39 2.728 1.655 24.900 1.00 0.21 C ATOM 615 C TYR A 39 2.019 0.873 23.791 1.00 0.20 C ATOM 616 O TYR A 39 1.145 0.073 24.054 1.00 0.20 O ATOM 617 CB TYR A 39 3.867 0.814 25.473 1.00 0.24 C ATOM 618 CG TYR A 39 4.836 1.680 26.227 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.441 2.329 27.402 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.139 1.815 25.756 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.356 3.121 28.106 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.057 2.605 26.454 1.00 0.36 C ATOM 623 CZ TYR A 39 6.668 3.260 27.629 1.00 0.39 C ATOM 624 OH TYR A 39 7.573 4.043 28.316 1.00 0.45 O ATOM 0 H TYR A 39 1.473 0.992 26.483 1.00 0.19 H new ATOM 0 HA TYR A 39 3.071 2.596 24.470 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.463 0.048 26.136 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.385 0.296 24.666 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.430 2.219 27.766 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.441 1.309 24.851 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.053 3.623 29.013 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.067 2.710 26.087 1.00 0.36 H new ATOM 0 HH TYR A 39 8.435 4.031 27.851 1.00 0.45 H new ATOM 634 N VAL A 40 2.474 0.989 22.574 1.00 0.21 N ATOM 635 CA VAL A 40 1.911 0.126 21.495 1.00 0.22 C ATOM 636 C VAL A 40 3.036 -0.511 20.673 1.00 0.22 C ATOM 637 O VAL A 40 3.853 0.171 20.089 1.00 0.23 O ATOM 638 CB VAL A 40 1.080 1.067 20.624 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.558 0.302 19.406 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.102 1.596 21.438 1.00 0.27 C ATOM 0 H VAL A 40 3.205 1.637 22.280 1.00 0.21 H new ATOM 0 HA VAL A 40 1.314 -0.692 21.898 1.00 0.22 H new ATOM 0 HB VAL A 40 1.698 1.901 20.292 1.00 0.25 H new ATOM 0 HG11 VAL A 40 -0.035 0.971 18.783 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.400 -0.081 18.829 1.00 0.27 H new ATOM 0 HG13 VAL A 40 -0.063 -0.530 19.738 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.698 2.268 20.820 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.721 0.761 21.766 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.269 2.137 22.309 1.00 0.27 H new ATOM 650 N ASP A 41 3.064 -1.815 20.598 1.00 0.21 N ATOM 651 CA ASP A 41 4.114 -2.490 19.780 1.00 0.22 C ATOM 652 C ASP A 41 3.573 -3.792 19.175 1.00 0.25 C ATOM 653 O ASP A 41 2.804 -4.497 19.790 1.00 0.27 O ATOM 654 CB ASP A 41 5.251 -2.781 20.761 1.00 0.20 C ATOM 655 CG ASP A 41 4.770 -3.754 21.838 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.575 -3.984 21.912 1.00 1.69 O ATOM 657 OD2 ASP A 41 5.606 -4.251 22.575 1.00 1.77 O ATOM 0 H ASP A 41 2.408 -2.440 21.066 1.00 0.21 H new ATOM 0 HA ASP A 41 4.443 -1.873 18.944 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.103 -3.205 20.229 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.592 -1.854 21.222 1.00 0.20 H new ATOM 662 N ASP A 42 4.065 -4.174 18.029 1.00 0.27 N ATOM 663 CA ASP A 42 3.684 -5.496 17.450 1.00 0.33 C ATOM 664 C ASP A 42 2.179 -5.758 17.600 1.00 0.33 C ATOM 665 O ASP A 42 1.762 -6.856 17.909 1.00 0.37 O ATOM 666 CB ASP A 42 4.488 -6.513 18.253 1.00 0.38 C ATOM 667 CG ASP A 42 4.140 -7.928 17.785 1.00 0.45 C ATOM 668 OD1 ASP A 42 3.435 -8.046 16.797 1.00 1.14 O ATOM 669 OD2 ASP A 42 4.585 -8.869 18.423 1.00 1.22 O ATOM 0 H ASP A 42 4.716 -3.627 17.466 1.00 0.27 H new ATOM 0 HA ASP A 42 3.893 -5.547 16.381 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.555 -6.329 18.127 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.270 -6.407 19.316 1.00 0.38 H new ATOM 674 N GLU A 43 1.359 -4.779 17.323 1.00 0.30 N ATOM 675 CA GLU A 43 -0.119 -5.000 17.376 1.00 0.31 C ATOM 676 C GLU A 43 -0.541 -5.481 18.768 1.00 0.30 C ATOM 677 O GLU A 43 -1.663 -5.895 18.979 1.00 0.31 O ATOM 678 CB GLU A 43 -0.399 -6.078 16.328 1.00 0.35 C ATOM 679 CG GLU A 43 0.022 -5.569 14.947 1.00 1.17 C ATOM 680 CD GLU A 43 -0.328 -6.616 13.889 1.00 1.34 C ATOM 681 OE1 GLU A 43 -0.703 -7.713 14.270 1.00 1.93 O ATOM 682 OE2 GLU A 43 -0.214 -6.304 12.715 1.00 1.68 O ATOM 0 H GLU A 43 1.647 -3.836 17.062 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.676 -4.084 17.178 1.00 0.31 H new ATOM 0 HB2 GLU A 43 0.147 -6.989 16.573 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -1.459 -6.332 16.326 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -0.483 -4.629 14.725 1.00 1.17 H new ATOM 0 HG3 GLU A 43 1.093 -5.367 14.933 1.00 1.17 H new ATOM 689 N LYS A 44 0.322 -5.350 19.733 1.00 0.29 N ATOM 690 CA LYS A 44 -0.053 -5.708 21.130 1.00 0.30 C ATOM 691 C LYS A 44 -0.062 -4.455 22.006 1.00 0.27 C ATOM 692 O LYS A 44 0.668 -3.514 21.766 1.00 0.26 O ATOM 693 CB LYS A 44 1.031 -6.676 21.608 1.00 0.34 C ATOM 694 CG LYS A 44 0.891 -8.012 20.877 1.00 1.29 C ATOM 695 CD LYS A 44 1.885 -9.016 21.466 1.00 1.23 C ATOM 696 CE LYS A 44 1.730 -10.365 20.764 1.00 1.90 C ATOM 697 NZ LYS A 44 2.976 -10.527 19.963 1.00 2.01 N ATOM 0 H LYS A 44 1.276 -5.009 19.616 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.047 -6.153 21.184 1.00 0.30 H new ATOM 0 HB2 LYS A 44 2.018 -6.251 21.423 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.946 -6.829 22.684 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.127 -8.389 20.976 1.00 1.29 H new ATOM 0 HG3 LYS A 44 1.079 -7.878 19.812 1.00 1.29 H new ATOM 0 HD2 LYS A 44 2.904 -8.647 21.346 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.711 -9.130 22.536 1.00 1.23 H new ATOM 0 HE2 LYS A 44 1.616 -11.175 21.485 1.00 1.90 H new ATOM 0 HE3 LYS A 44 0.846 -10.379 20.126 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 2.811 -11.215 19.200 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 3.245 -9.611 19.551 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.742 -10.869 20.578 1.00 2.01 H new ATOM 711 N ILE A 45 -0.840 -4.457 23.051 1.00 0.28 N ATOM 712 CA ILE A 45 -0.844 -3.289 23.973 1.00 0.27 C ATOM 713 C ILE A 45 0.170 -3.514 25.098 1.00 0.27 C ATOM 714 O ILE A 45 0.151 -4.528 25.767 1.00 0.29 O ATOM 715 CB ILE A 45 -2.263 -3.238 24.532 1.00 0.30 C ATOM 716 CG1 ILE A 45 -3.261 -3.158 23.374 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.419 -2.002 25.422 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.676 -3.388 23.903 1.00 1.25 C ATOM 0 H ILE A 45 -1.472 -5.216 23.306 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.570 -2.359 23.475 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.454 -4.135 25.120 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -3.196 -2.183 22.891 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -3.018 -3.905 22.618 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.433 -1.966 25.821 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.707 -2.054 26.245 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -2.229 -1.104 24.834 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.386 -3.331 23.078 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.736 -4.373 24.366 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.917 -2.624 24.643 1.00 1.25 H new ATOM 730 N ILE A 46 1.045 -2.570 25.311 1.00 0.26 N ATOM 731 CA ILE A 46 2.061 -2.710 26.395 1.00 0.29 C ATOM 732 C ILE A 46 1.796 -1.679 27.493 1.00 0.29 C ATOM 733 O ILE A 46 1.804 -0.492 27.255 1.00 0.31 O ATOM 734 CB ILE A 46 3.406 -2.439 25.706 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.633 -3.482 24.611 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.544 -2.508 26.729 1.00 0.37 C ATOM 737 CD1 ILE A 46 3.376 -4.879 25.174 1.00 0.50 C ATOM 0 H ILE A 46 1.101 -1.702 24.778 1.00 0.26 H new ATOM 0 HA ILE A 46 2.038 -3.691 26.870 1.00 0.29 H new ATOM 0 HB ILE A 46 3.389 -1.443 25.264 1.00 0.32 H new ATOM 0 HG12 ILE A 46 2.968 -3.290 23.769 1.00 0.44 H new ATOM 0 HG13 ILE A 46 4.653 -3.413 24.234 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.494 -2.314 26.230 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.382 -1.759 27.504 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.567 -3.500 27.181 1.00 0.37 H new ATOM 0 HD11 ILE A 46 3.538 -5.622 24.393 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.059 -5.069 26.002 1.00 0.50 H new ATOM 0 HD13 ILE A 46 2.348 -4.945 25.529 1.00 0.50 H new ATOM 749 N LEU A 47 1.554 -2.119 28.696 1.00 0.28 N ATOM 750 CA LEU A 47 1.288 -1.147 29.797 1.00 0.29 C ATOM 751 C LEU A 47 2.346 -1.285 30.892 1.00 0.31 C ATOM 752 O LEU A 47 2.674 -2.375 31.316 1.00 0.39 O ATOM 753 CB LEU A 47 -0.088 -1.520 30.341 1.00 0.34 C ATOM 754 CG LEU A 47 -1.115 -1.487 29.207 1.00 0.90 C ATOM 755 CD1 LEU A 47 -1.014 -2.772 28.384 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.522 -1.370 29.797 1.00 1.24 C ATOM 0 H LEU A 47 1.528 -3.102 28.965 1.00 0.28 H new ATOM 0 HA LEU A 47 1.321 -0.115 29.446 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.056 -2.514 30.788 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.379 -0.825 31.129 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.916 -0.629 28.564 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.746 -2.746 27.577 1.00 1.66 H new ATOM 0 HD12 LEU A 47 -0.012 -2.856 27.962 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.211 -3.631 29.025 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.254 -1.346 28.990 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.719 -2.227 30.441 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.596 -0.453 30.381 1.00 1.24 H new ATOM 768 N LYS A 48 2.870 -0.189 31.364 1.00 0.29 N ATOM 769 CA LYS A 48 3.896 -0.260 32.444 1.00 0.35 C ATOM 770 C LYS A 48 3.700 0.881 33.443 1.00 0.28 C ATOM 771 O LYS A 48 3.034 1.856 33.160 1.00 0.25 O ATOM 772 CB LYS A 48 5.244 -0.121 31.733 1.00 0.47 C ATOM 773 CG LYS A 48 5.387 1.287 31.150 1.00 0.65 C ATOM 774 CD LYS A 48 6.745 1.410 30.458 1.00 0.85 C ATOM 775 CE LYS A 48 7.241 2.854 30.556 1.00 1.54 C ATOM 776 NZ LYS A 48 7.441 3.093 32.012 1.00 1.74 N ATOM 0 H LYS A 48 2.634 0.752 31.050 1.00 0.29 H new ATOM 0 HA LYS A 48 3.828 -1.191 33.007 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.056 -0.317 32.434 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.323 -0.862 30.938 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.584 1.482 30.439 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.300 2.032 31.941 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.464 0.735 30.923 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.660 1.114 29.412 1.00 0.85 H new ATOM 0 HE2 LYS A 48 8.170 2.991 30.002 1.00 1.54 H new ATOM 0 HE3 LYS A 48 6.514 3.550 30.138 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.182 3.810 32.148 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 6.552 3.429 32.434 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 7.729 2.206 32.473 1.00 1.74 H new ATOM 790 N LYS A 49 4.305 0.787 34.595 1.00 0.28 N ATOM 791 CA LYS A 49 4.186 1.894 35.586 1.00 0.25 C ATOM 792 C LYS A 49 4.705 3.198 34.983 1.00 0.22 C ATOM 793 O LYS A 49 5.579 3.199 34.139 1.00 0.24 O ATOM 794 CB LYS A 49 5.055 1.471 36.768 1.00 0.29 C ATOM 795 CG LYS A 49 4.932 2.502 37.890 1.00 0.30 C ATOM 796 CD LYS A 49 5.858 2.114 39.045 1.00 0.54 C ATOM 797 CE LYS A 49 5.617 3.053 40.230 1.00 1.08 C ATOM 798 NZ LYS A 49 6.877 3.002 41.022 1.00 1.65 N ATOM 0 H LYS A 49 4.875 -0.005 34.892 1.00 0.28 H new ATOM 0 HA LYS A 49 3.152 2.068 35.884 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.746 0.489 37.127 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.095 1.382 36.454 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.193 3.493 37.518 1.00 0.30 H new ATOM 0 HG3 LYS A 49 3.901 2.554 38.239 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.674 1.082 39.342 1.00 0.54 H new ATOM 0 HD3 LYS A 49 6.899 2.173 38.726 1.00 0.54 H new ATOM 0 HE2 LYS A 49 5.403 4.067 39.893 1.00 1.08 H new ATOM 0 HE3 LYS A 49 4.763 2.728 40.825 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.790 3.621 41.853 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 7.051 2.026 41.335 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 7.671 3.324 40.432 1.00 1.65 H new ATOM 812 N TYR A 50 4.128 4.300 35.361 1.00 0.20 N ATOM 813 CA TYR A 50 4.538 5.599 34.754 1.00 0.21 C ATOM 814 C TYR A 50 5.410 6.396 35.726 1.00 0.22 C ATOM 815 O TYR A 50 4.951 6.855 36.754 1.00 0.22 O ATOM 816 CB TYR A 50 3.229 6.336 34.484 1.00 0.20 C ATOM 817 CG TYR A 50 3.523 7.676 33.855 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.617 7.823 32.997 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.703 8.775 34.138 1.00 0.24 C ATOM 820 CE1 TYR A 50 4.891 9.067 32.419 1.00 0.30 C ATOM 821 CE2 TYR A 50 2.976 10.019 33.561 1.00 0.28 C ATOM 822 CZ TYR A 50 4.070 10.167 32.700 1.00 0.30 C ATOM 823 OH TYR A 50 4.341 11.394 32.131 1.00 0.35 O ATOM 0 H TYR A 50 3.391 4.361 36.063 1.00 0.20 H new ATOM 0 HA TYR A 50 5.127 5.460 33.848 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.596 5.744 33.823 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.678 6.473 35.415 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.251 6.976 32.780 1.00 0.26 H new ATOM 0 HD2 TYR A 50 1.859 8.662 34.802 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.736 9.180 31.756 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.343 10.866 33.780 1.00 0.28 H new ATOM 0 HH TYR A 50 3.674 12.047 32.430 1.00 0.35 H new ATOM 995 N VAL B 9 -0.377 8.477 28.761 1.00 0.32 N ATOM 996 CA VAL B 9 -0.599 7.972 30.148 1.00 0.29 C ATOM 997 C VAL B 9 -2.024 8.276 30.619 1.00 0.32 C ATOM 998 O VAL B 9 -2.575 9.322 30.339 1.00 0.37 O ATOM 999 CB VAL B 9 0.423 8.710 31.012 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.244 8.302 32.475 1.00 0.27 C ATOM 1001 CG2 VAL B 9 1.837 8.341 30.555 1.00 0.30 C ATOM 0 HA VAL B 9 -0.479 6.890 30.208 1.00 0.29 H new ATOM 0 HB VAL B 9 0.274 9.785 30.911 1.00 0.30 H new ATOM 0 HG11 VAL B 9 0.973 8.828 33.091 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.763 8.560 32.804 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.394 7.227 32.574 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.567 8.867 31.170 1.00 0.30 H new ATOM 0 HG22 VAL B 9 1.983 7.266 30.657 1.00 0.30 H new ATOM 0 HG23 VAL B 9 1.969 8.628 29.512 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.598 7.384 31.378 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.962 7.626 31.932 1.00 0.36 C ATOM 1013 C ARG B 10 -3.971 7.324 33.434 1.00 0.31 C ATOM 1014 O ARG B 10 -3.073 6.693 33.951 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.877 6.657 31.183 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.333 6.931 31.566 1.00 0.74 C ATOM 1017 CD ARG B 10 -7.245 5.921 30.865 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.630 6.363 31.192 1.00 1.14 N ATOM 1019 CZ ARG B 10 -9.108 6.187 32.394 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.377 5.621 33.317 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.322 6.577 32.676 1.00 1.92 N ATOM 0 H ARG B 10 -2.179 6.492 31.640 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.285 8.660 31.808 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.745 6.773 30.107 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.613 5.628 31.427 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.456 6.859 32.647 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.610 7.946 31.281 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -7.076 5.917 29.788 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -7.059 4.908 31.221 1.00 0.87 H new ATOM 0 HE ARG B 10 -9.206 6.804 30.475 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.429 5.315 33.100 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.755 5.486 34.255 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.896 7.019 31.957 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.697 6.440 33.615 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.953 7.803 34.145 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.984 7.570 35.619 1.00 0.30 C ATOM 1037 C LYS B 11 -5.630 6.217 35.932 1.00 0.26 C ATOM 1038 O LYS B 11 -6.514 5.762 35.233 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.827 8.712 36.183 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.123 10.045 35.926 1.00 1.03 C ATOM 1041 CD LYS B 11 -5.906 11.177 36.593 1.00 1.03 C ATOM 1042 CE LYS B 11 -5.272 12.521 36.231 1.00 1.81 C ATOM 1043 NZ LYS B 11 -4.096 12.647 37.137 1.00 2.21 N ATOM 0 H LYS B 11 -5.734 8.344 33.773 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.984 7.549 36.053 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -6.813 8.714 35.717 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -5.980 8.570 37.253 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -4.107 10.012 36.318 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -5.045 10.226 34.854 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.946 11.155 36.268 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -5.908 11.044 37.675 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -4.969 12.546 35.184 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -5.974 13.342 36.379 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -3.709 13.610 37.071 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -4.391 12.458 38.116 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -3.367 11.961 36.857 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.201 5.574 36.985 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.795 4.254 37.351 1.00 0.22 C ATOM 1059 C VAL B 12 -7.095 4.471 38.127 1.00 0.20 C ATOM 1060 O VAL B 12 -7.134 5.223 39.080 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.758 3.578 38.251 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.072 2.086 38.359 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.357 3.764 37.666 1.00 0.29 C ATOM 0 H VAL B 12 -4.465 5.905 37.608 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.028 3.651 36.473 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.794 4.032 39.241 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.334 1.604 39.000 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.066 1.953 38.787 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.041 1.635 37.367 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.625 3.280 38.313 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.315 3.317 36.673 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.131 4.828 37.595 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.154 3.822 37.737 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.437 4.009 38.469 1.00 0.21 C ATOM 1075 C ASP B 13 -9.487 3.081 39.692 1.00 0.22 C ATOM 1076 O ASP B 13 -8.497 2.488 40.069 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.538 3.671 37.450 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.886 2.183 37.512 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.210 1.401 36.867 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.828 1.845 38.207 1.00 0.55 O ATOM 0 H ASP B 13 -8.188 3.175 36.949 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.558 5.023 38.851 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.427 4.267 37.655 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.204 3.931 36.445 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.589 3.064 40.387 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.649 2.309 41.672 1.00 0.26 C ATOM 1087 C GLU B 14 -10.238 0.841 41.487 1.00 0.26 C ATOM 1088 O GLU B 14 -9.648 0.246 42.366 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.110 2.401 42.112 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.267 1.776 43.500 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.744 1.774 43.896 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.552 2.218 43.098 1.00 1.99 O ATOM 1093 OE2 GLU B 14 -14.043 1.329 44.992 1.00 2.19 O ATOM 0 H GLU B 14 -11.452 3.540 40.122 1.00 0.23 H new ATOM 0 HA GLU B 14 -9.961 2.723 42.409 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.429 3.443 42.133 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.750 1.886 41.395 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.879 0.757 43.497 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -11.685 2.337 44.231 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.656 0.215 40.422 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.405 -1.251 40.283 1.00 0.25 C ATOM 1102 C LEU B 15 -9.012 -1.533 39.709 1.00 0.23 C ATOM 1103 O LEU B 15 -8.605 -2.672 39.592 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.485 -1.759 39.332 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.236 -3.237 39.027 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -10.978 -3.994 40.334 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.464 -3.828 38.331 1.00 1.39 C ATOM 0 H LEU B 15 -11.157 0.649 39.646 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.440 -1.749 41.252 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.470 -1.629 39.780 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.475 -1.179 38.409 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.367 -3.331 38.376 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.801 -5.047 40.116 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.103 -3.574 40.831 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.846 -3.900 40.986 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.287 -4.881 38.113 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.333 -3.733 38.983 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.648 -3.291 37.400 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.288 -0.526 39.311 1.00 0.21 N ATOM 1120 CA GLY B 16 -6.947 -0.778 38.707 1.00 0.20 C ATOM 1121 C GLY B 16 -7.114 -1.188 37.240 1.00 0.21 C ATOM 1122 O GLY B 16 -6.561 -2.174 36.789 1.00 0.21 O ATOM 0 H GLY B 16 -8.562 0.454 39.376 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.331 0.119 38.777 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.430 -1.564 39.258 1.00 0.20 H new ATOM 1126 N ARG B 17 -7.910 -0.466 36.502 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.151 -0.842 35.083 1.00 0.27 C ATOM 1128 C ARG B 17 -7.582 0.232 34.151 1.00 0.26 C ATOM 1129 O ARG B 17 -7.456 1.383 34.517 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.672 -0.923 34.951 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.190 -2.098 35.785 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.705 -2.221 35.616 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.267 -1.044 36.331 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.530 -1.028 36.674 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.308 -2.026 36.353 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.017 -0.016 37.338 1.00 1.14 N ATOM 0 H ARG B 17 -8.404 0.368 36.821 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.670 -1.782 34.813 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.128 0.007 35.290 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -9.951 -1.053 33.905 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.703 -3.022 35.472 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -9.942 -1.948 36.836 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -11.987 -2.215 34.563 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.075 -3.154 36.040 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.668 -0.249 36.554 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -13.932 -2.820 35.834 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.292 -2.012 36.621 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.413 0.766 37.591 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.002 -0.007 37.604 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.230 -0.140 32.953 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.661 0.853 31.997 1.00 0.26 C ATOM 1152 C VAL B 18 -7.485 0.864 30.710 1.00 0.24 C ATOM 1153 O VAL B 18 -8.166 -0.089 30.395 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.237 0.369 31.721 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.488 0.203 33.043 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.290 -0.975 30.992 1.00 0.26 C ATOM 0 H VAL B 18 -7.311 -1.091 32.592 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.672 1.868 32.394 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.718 1.100 31.101 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.473 -0.142 32.845 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.451 1.160 33.563 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.005 -0.528 33.665 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.276 -1.322 30.794 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -5.809 -1.705 31.613 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -5.823 -0.857 30.049 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.504 1.967 30.014 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.379 2.065 28.811 1.00 0.22 C ATOM 1168 C VAL B 19 -7.538 2.151 27.537 1.00 0.22 C ATOM 1169 O VAL B 19 -6.645 2.967 27.425 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.172 3.356 29.010 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.274 3.447 27.953 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.798 3.358 30.406 1.00 0.24 C ATOM 0 H VAL B 19 -6.955 2.801 30.224 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.024 1.193 28.703 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.505 4.212 28.910 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.839 4.368 28.095 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.826 3.446 26.959 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -10.943 2.592 28.050 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.364 4.278 30.550 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.465 2.502 30.507 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.011 3.295 31.158 1.00 0.24 H new ATOM 1182 N ILE B 20 -7.895 1.397 26.533 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.204 1.533 25.221 1.00 0.24 C ATOM 1184 C ILE B 20 -7.822 2.697 24.438 1.00 0.24 C ATOM 1185 O ILE B 20 -9.024 2.789 24.327 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.451 0.192 24.514 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.359 -0.801 24.919 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.427 0.379 22.995 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -4.992 -0.256 24.499 1.00 1.38 C ATOM 0 H ILE B 20 -8.634 0.694 26.565 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.139 1.745 25.314 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.429 -0.189 24.808 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.382 -0.964 25.997 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -6.538 -1.767 24.447 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.603 -0.580 22.508 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.206 1.083 22.703 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.455 0.767 22.691 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -4.214 -0.963 24.787 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -4.973 -0.116 23.418 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -4.814 0.700 24.992 1.00 1.38 H new ATOM 1201 N PRO B 21 -6.977 3.519 23.881 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.462 4.651 23.052 1.00 0.30 C ATOM 1203 C PRO B 21 -8.297 4.120 21.881 1.00 0.28 C ATOM 1204 O PRO B 21 -8.019 3.070 21.337 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.184 5.330 22.553 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.069 4.369 22.840 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.519 3.478 23.964 1.00 0.32 C ATOM 0 HA PRO B 21 -8.102 5.341 23.603 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.248 5.547 21.487 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -6.022 6.280 23.063 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.833 3.779 21.954 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.161 4.906 23.116 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.140 2.463 23.845 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.163 3.840 24.928 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.355 4.798 21.534 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.247 4.279 20.456 1.00 0.30 C ATOM 1217 C ILE B 22 -9.448 4.037 19.172 1.00 0.33 C ATOM 1218 O ILE B 22 -9.746 3.142 18.408 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.294 5.373 20.244 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.476 4.802 19.455 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.677 6.536 19.465 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -12.011 4.399 18.054 1.00 1.11 C ATOM 0 H ILE B 22 -9.641 5.686 21.947 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.704 3.327 20.724 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.640 5.732 21.213 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.890 3.938 19.975 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -13.272 5.543 19.386 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.427 7.313 19.316 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.837 6.945 20.026 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.327 6.180 18.496 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -12.853 3.993 17.494 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -11.618 5.274 17.535 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -11.230 3.643 18.133 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.423 4.806 18.938 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.608 4.585 17.710 1.00 0.40 C ATOM 1236 C GLU B 23 -7.038 3.164 17.721 1.00 0.37 C ATOM 1237 O GLU B 23 -6.969 2.500 16.705 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.485 5.623 17.785 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.435 5.176 18.806 1.00 1.22 C ATOM 1240 CD GLU B 23 -4.400 6.286 18.993 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.483 7.274 18.281 1.00 2.00 O ATOM 1242 OE2 GLU B 23 -3.542 6.131 19.846 1.00 2.37 O ATOM 0 H GLU B 23 -8.115 5.572 19.537 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.190 4.691 16.794 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -6.024 5.745 16.805 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -6.892 6.593 18.069 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -5.913 4.946 19.758 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -4.947 4.263 18.465 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.695 2.673 18.881 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.207 1.269 18.987 1.00 0.33 C ATOM 1251 C LEU B 24 -7.387 0.294 18.983 1.00 0.29 C ATOM 1252 O LEU B 24 -7.289 -0.802 18.471 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.455 1.206 20.315 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.260 2.161 20.268 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.418 1.989 21.534 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.404 1.844 19.040 1.00 1.75 C ATOM 0 H LEU B 24 -6.732 3.186 19.762 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.568 0.991 18.149 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.120 1.478 21.135 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.114 0.188 20.505 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.618 3.189 20.208 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.567 2.669 21.500 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.027 2.213 22.409 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.059 0.962 21.595 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.552 2.523 19.005 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.046 0.816 19.101 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -4.003 1.966 18.138 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.524 0.707 19.477 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.715 -0.186 19.402 1.00 0.23 C ATOM 1270 C ARG B 25 -9.973 -0.558 17.943 1.00 0.26 C ATOM 1271 O ARG B 25 -10.276 -1.688 17.621 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.892 0.636 19.936 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.647 1.057 21.387 1.00 0.21 C ATOM 1274 CD ARG B 25 -11.923 1.705 21.937 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.486 2.513 23.107 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.241 3.482 23.555 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.388 3.738 22.986 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -11.848 4.192 24.577 1.00 0.27 N ATOM 0 H ARG B 25 -8.678 1.611 19.923 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.573 -1.103 19.974 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.035 1.520 19.315 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.809 0.050 19.872 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.374 0.191 21.990 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.814 1.758 21.441 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.401 2.332 21.184 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.651 0.949 22.232 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.595 2.311 23.561 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.698 3.181 22.189 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -13.974 4.495 23.338 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -10.954 3.990 25.024 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.435 4.948 24.928 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.895 0.404 17.063 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.181 0.126 15.628 1.00 0.33 C ATOM 1294 C ARG B 26 -9.046 -0.687 14.999 1.00 0.35 C ATOM 1295 O ARG B 26 -9.274 -1.682 14.339 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.278 1.505 14.973 1.00 0.37 C ATOM 1297 CG ARG B 26 -10.698 1.348 13.510 1.00 1.07 C ATOM 1298 CD ARG B 26 -10.743 2.724 12.842 1.00 1.25 C ATOM 1299 NE ARG B 26 -11.283 2.470 11.477 1.00 1.86 N ATOM 1300 CZ ARG B 26 -11.393 3.452 10.621 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -11.029 4.660 10.958 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -11.868 3.224 9.428 1.00 3.27 N ATOM 0 H ARG B 26 -9.646 1.370 17.277 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.092 -0.458 15.498 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -11.002 2.122 15.506 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -9.317 2.016 15.034 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -9.995 0.700 12.986 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.676 0.871 13.450 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -11.380 3.412 13.397 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -9.751 3.174 12.797 1.00 1.25 H new ATOM 0 HE ARG B 26 -11.568 1.528 11.210 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -10.658 4.839 11.891 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -11.116 5.424 10.288 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -12.153 2.281 9.164 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -11.955 3.989 8.759 1.00 3.27 H new ATOM 1316 N THR B 27 -7.830 -0.247 15.162 1.00 0.37 N ATOM 1317 CA THR B 27 -6.681 -0.962 14.533 1.00 0.41 C ATOM 1318 C THR B 27 -6.545 -2.381 15.096 1.00 0.39 C ATOM 1319 O THR B 27 -6.071 -3.278 14.428 1.00 0.42 O ATOM 1320 CB THR B 27 -5.452 -0.124 14.886 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.657 1.215 14.460 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.220 -0.701 14.187 1.00 0.77 C ATOM 0 H THR B 27 -7.580 0.579 15.705 1.00 0.37 H new ATOM 0 HA THR B 27 -6.811 -1.069 13.456 1.00 0.41 H new ATOM 0 HB THR B 27 -5.296 -0.143 15.965 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.059 1.732 15.189 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.345 -0.103 14.440 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.064 -1.729 14.515 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.372 -0.683 13.108 1.00 0.77 H new ATOM 1330 N LEU B 28 -6.893 -2.579 16.338 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.713 -3.927 16.951 1.00 0.35 C ATOM 1332 C LEU B 28 -7.939 -4.810 16.690 1.00 0.33 C ATOM 1333 O LEU B 28 -7.948 -5.981 17.013 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.546 -3.661 18.447 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.074 -4.938 19.143 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.609 -5.202 18.788 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.208 -4.772 20.658 1.00 1.05 C ATOM 0 H LEU B 28 -7.292 -1.870 16.953 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.857 -4.456 16.532 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.825 -2.860 18.606 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.491 -3.329 18.876 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.685 -5.778 18.813 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.273 -6.112 19.284 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.512 -5.320 17.709 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -3.998 -4.362 19.118 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -5.872 -5.682 21.155 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.597 -3.932 20.987 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.251 -4.584 20.913 1.00 1.05 H new ATOM 1349 N GLY B 29 -8.965 -4.268 16.092 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.170 -5.095 15.794 1.00 0.32 C ATOM 1351 C GLY B 29 -10.840 -5.516 17.103 1.00 0.29 C ATOM 1352 O GLY B 29 -11.252 -6.648 17.264 1.00 0.29 O ATOM 0 H GLY B 29 -9.022 -3.293 15.798 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.870 -4.528 15.181 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.886 -5.976 15.219 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.933 -4.623 18.048 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.555 -4.984 19.354 1.00 0.24 C ATOM 1358 C ILE B 30 -12.827 -4.167 19.589 1.00 0.23 C ATOM 1359 O ILE B 30 -12.895 -2.994 19.286 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.502 -4.652 20.408 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.227 -5.446 20.119 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.032 -5.027 21.794 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.578 -6.925 19.935 1.00 0.30 C ATOM 0 H ILE B 30 -10.606 -3.660 17.974 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.846 -6.034 19.388 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.282 -3.585 20.380 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.742 -5.062 19.222 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.519 -5.329 20.939 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.281 -4.790 22.547 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -11.942 -4.464 22.000 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.251 -6.094 21.823 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.670 -7.492 19.729 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.044 -7.304 20.845 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.271 -7.033 19.100 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.848 -4.802 20.091 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.143 -4.100 20.313 1.00 0.23 C ATOM 1377 C ALA B 31 -15.791 -4.593 21.609 1.00 0.20 C ATOM 1378 O ALA B 31 -15.394 -5.594 22.171 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.007 -4.480 19.110 1.00 0.23 C ATOM 0 H ALA B 31 -13.841 -5.786 20.360 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.020 -3.021 20.405 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -16.983 -4.002 19.197 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.520 -4.148 18.193 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.135 -5.562 19.081 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.783 -3.899 22.090 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.450 -4.329 23.352 1.00 0.21 C ATOM 1387 C GLU B 32 -17.902 -5.790 23.249 1.00 0.19 C ATOM 1388 O GLU B 32 -18.305 -6.251 22.202 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.659 -3.405 23.493 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.346 -3.663 24.836 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.615 -2.814 24.932 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -20.907 -2.109 23.981 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.272 -2.882 25.958 1.00 1.13 O ATOM 0 H GLU B 32 -17.162 -3.053 21.665 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.782 -4.266 24.211 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.344 -2.364 23.428 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.359 -3.577 22.675 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.595 -4.720 24.932 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.670 -3.419 25.655 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.877 -6.501 24.349 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.353 -7.921 24.367 1.00 0.20 C ATOM 1402 C LYS B 33 -17.336 -8.854 23.695 1.00 0.18 C ATOM 1403 O LYS B 33 -17.460 -10.061 23.763 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.675 -7.927 23.597 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.450 -9.204 23.929 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.808 -9.175 23.225 1.00 0.86 C ATOM 1407 CE LYS B 33 -21.602 -9.285 21.712 1.00 1.35 C ATOM 1408 NZ LYS B 33 -22.873 -8.790 21.114 1.00 1.88 N ATOM 0 H LYS B 33 -17.543 -6.154 25.248 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.478 -8.281 25.388 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.266 -7.050 23.861 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.485 -7.872 22.525 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.883 -10.079 23.612 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.589 -9.288 25.007 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.430 -9.997 23.579 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -22.334 -8.251 23.465 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -20.752 -8.686 21.385 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -21.400 -10.314 21.415 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -22.809 -8.835 20.077 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -23.663 -9.383 21.438 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -23.035 -7.806 21.409 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.286 -8.320 23.132 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.224 -9.202 22.564 1.00 0.16 C ATOM 1424 C ASP B 34 -14.346 -9.757 23.686 1.00 0.19 C ATOM 1425 O ASP B 34 -14.456 -9.353 24.825 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.410 -8.307 21.634 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.218 -8.029 20.368 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.270 -8.626 20.214 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.769 -7.222 19.573 1.00 1.09 O ATOM 0 H ASP B 34 -16.117 -7.318 23.041 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.641 -10.058 22.033 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.163 -7.371 22.135 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.467 -8.790 21.379 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.532 -10.734 23.391 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.716 -11.371 24.466 1.00 0.28 C ATOM 1436 C ALA B 35 -11.258 -10.905 24.391 1.00 0.20 C ATOM 1437 O ALA B 35 -10.614 -11.006 23.365 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.815 -12.871 24.194 1.00 0.36 C ATOM 0 H ALA B 35 -13.396 -11.118 22.456 1.00 0.22 H new ATOM 0 HA ALA B 35 -13.073 -11.107 25.461 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.240 -13.415 24.943 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.859 -13.181 24.242 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.417 -13.088 23.203 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.708 -10.492 25.500 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.262 -10.129 25.538 1.00 0.21 C ATOM 1446 C LEU B 36 -8.486 -11.198 26.309 1.00 0.19 C ATOM 1447 O LEU B 36 -8.926 -11.652 27.344 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.202 -8.807 26.301 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.225 -7.826 25.732 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.491 -6.736 26.769 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.669 -7.192 24.454 1.00 0.56 C ATOM 0 H LEU B 36 -11.201 -10.390 26.387 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.830 -10.051 24.540 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.401 -8.979 27.359 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.201 -8.382 26.230 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.152 -8.350 25.498 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.220 -6.029 26.374 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.881 -7.189 27.681 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.562 -6.212 26.993 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.399 -6.492 24.048 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.745 -6.661 24.684 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.466 -7.972 23.720 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.286 -11.497 25.906 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.448 -12.412 26.730 1.00 0.20 C ATOM 1465 C GLU B 37 -5.312 -11.625 27.385 1.00 0.18 C ATOM 1466 O GLU B 37 -4.796 -10.679 26.823 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.911 -13.461 25.759 1.00 0.24 C ATOM 1468 CG GLU B 37 -5.134 -14.528 26.534 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.534 -15.537 25.553 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.732 -15.365 24.362 1.00 1.17 O ATOM 1471 OE2 GLU B 37 -3.888 -16.465 26.011 1.00 1.07 O ATOM 0 H GLU B 37 -6.850 -11.152 25.050 1.00 0.18 H new ATOM 0 HA GLU B 37 -7.012 -12.881 27.537 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.735 -13.921 25.213 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.263 -12.989 25.020 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.343 -14.062 27.122 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.795 -15.036 27.236 1.00 0.26 H new ATOM 1478 N ILE B 38 -5.025 -11.918 28.621 1.00 0.20 N ATOM 1479 CA ILE B 38 -4.052 -11.091 29.381 1.00 0.20 C ATOM 1480 C ILE B 38 -2.747 -11.859 29.589 1.00 0.19 C ATOM 1481 O ILE B 38 -2.745 -13.019 29.963 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.729 -10.816 30.723 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -6.078 -10.135 30.482 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.841 -9.901 31.568 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.815 -9.974 31.811 1.00 0.84 C ATOM 0 H ILE B 38 -5.425 -12.700 29.140 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.797 -10.171 28.855 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.884 -11.757 31.250 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.927 -9.160 30.018 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.678 -10.728 29.791 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.326 -9.706 32.525 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.880 -10.385 31.740 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.684 -8.959 31.042 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.776 -9.489 31.638 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.979 -10.955 32.257 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.217 -9.363 32.487 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.647 -11.209 29.325 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.313 -11.859 29.465 1.00 0.20 C ATOM 1499 C TYR B 39 0.526 -11.108 30.505 1.00 0.20 C ATOM 1500 O TYR B 39 0.371 -9.918 30.688 1.00 0.19 O ATOM 1501 CB TYR B 39 0.325 -11.707 28.085 1.00 0.23 C ATOM 1502 CG TYR B 39 -0.196 -12.758 27.143 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.542 -12.758 26.759 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.678 -13.724 26.641 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -2.013 -13.731 25.870 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.209 -14.697 25.756 1.00 0.36 C ATOM 1507 CZ TYR B 39 -1.136 -14.702 25.369 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.597 -15.665 24.494 1.00 0.45 O ATOM 0 H TYR B 39 -1.616 -10.238 29.013 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.384 -12.898 29.788 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.111 -10.715 27.687 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.409 -11.790 28.168 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -2.216 -12.009 27.148 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.717 -13.719 26.937 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -3.051 -13.733 25.571 1.00 0.37 H new ATOM 0 HE2 TYR B 39 0.884 -15.446 25.370 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.859 -16.259 24.243 1.00 0.45 H new ATOM 1518 N VAL B 40 1.499 -11.755 31.085 1.00 0.21 N ATOM 1519 CA VAL B 40 2.434 -11.018 31.985 1.00 0.21 C ATOM 1520 C VAL B 40 3.887 -11.357 31.640 1.00 0.21 C ATOM 1521 O VAL B 40 4.296 -12.500 31.685 1.00 0.23 O ATOM 1522 CB VAL B 40 2.092 -11.496 33.394 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.082 -10.892 34.391 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.674 -11.044 33.751 1.00 0.26 C ATOM 0 H VAL B 40 1.687 -12.752 30.977 1.00 0.21 H new ATOM 0 HA VAL B 40 2.331 -9.937 31.886 1.00 0.21 H new ATOM 0 HB VAL B 40 2.152 -12.584 33.435 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.839 -11.233 35.397 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.094 -11.208 34.136 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.020 -9.804 34.351 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.426 -11.384 34.757 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.618 -9.956 33.711 1.00 0.26 H new ATOM 0 HG23 VAL B 40 -0.034 -11.470 33.040 1.00 0.26 H new ATOM 1534 N ASP B 41 4.682 -10.366 31.335 1.00 0.21 N ATOM 1535 CA ASP B 41 6.119 -10.631 31.030 1.00 0.21 C ATOM 1536 C ASP B 41 6.989 -9.445 31.463 1.00 0.24 C ATOM 1537 O ASP B 41 6.596 -8.304 31.359 1.00 0.26 O ATOM 1538 CB ASP B 41 6.175 -10.813 29.510 1.00 0.19 C ATOM 1539 CG ASP B 41 5.759 -9.513 28.817 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.258 -8.634 29.499 1.00 1.68 O ATOM 1541 OD2 ASP B 41 5.946 -9.420 27.615 1.00 1.77 O ATOM 0 H ASP B 41 4.400 -9.387 31.284 1.00 0.21 H new ATOM 0 HA ASP B 41 6.496 -11.505 31.561 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.183 -11.092 29.205 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.514 -11.625 29.207 1.00 0.19 H new ATOM 1546 N ASP B 42 8.212 -9.706 31.837 1.00 0.27 N ATOM 1547 CA ASP B 42 9.156 -8.590 32.146 1.00 0.32 C ATOM 1548 C ASP B 42 8.470 -7.492 32.969 1.00 0.32 C ATOM 1549 O ASP B 42 8.674 -6.316 32.739 1.00 0.37 O ATOM 1550 CB ASP B 42 9.574 -8.050 30.779 1.00 0.37 C ATOM 1551 CG ASP B 42 10.512 -6.857 30.962 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.901 -6.603 32.091 1.00 1.14 O ATOM 1553 OD2 ASP B 42 10.825 -6.216 29.973 1.00 1.21 O ATOM 0 H ASP B 42 8.600 -10.643 31.942 1.00 0.27 H new ATOM 0 HA ASP B 42 10.004 -8.929 32.741 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.072 -8.832 30.205 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.694 -7.749 30.211 1.00 0.37 H new ATOM 1558 N GLU B 43 7.714 -7.862 33.969 1.00 0.29 N ATOM 1559 CA GLU B 43 7.084 -6.833 34.854 1.00 0.30 C ATOM 1560 C GLU B 43 6.213 -5.878 34.031 1.00 0.29 C ATOM 1561 O GLU B 43 5.757 -4.863 34.520 1.00 0.30 O ATOM 1562 CB GLU B 43 8.255 -6.081 35.486 1.00 0.34 C ATOM 1563 CG GLU B 43 9.103 -7.055 36.308 1.00 1.17 C ATOM 1564 CD GLU B 43 10.231 -6.290 37.002 1.00 1.34 C ATOM 1565 OE1 GLU B 43 10.406 -5.122 36.694 1.00 1.92 O ATOM 1566 OE2 GLU B 43 10.901 -6.885 37.829 1.00 1.68 O ATOM 0 H GLU B 43 7.505 -8.830 34.213 1.00 0.29 H new ATOM 0 HA GLU B 43 6.434 -7.282 35.605 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.864 -5.617 34.710 1.00 0.34 H new ATOM 0 HB3 GLU B 43 7.884 -5.278 36.123 1.00 0.34 H new ATOM 0 HG2 GLU B 43 8.482 -7.559 37.049 1.00 1.17 H new ATOM 0 HG3 GLU B 43 9.518 -7.828 35.661 1.00 1.17 H new ATOM 1573 N LYS B 44 5.909 -6.240 32.817 1.00 0.29 N ATOM 1574 CA LYS B 44 4.987 -5.406 31.996 1.00 0.30 C ATOM 1575 C LYS B 44 3.693 -6.172 31.723 1.00 0.27 C ATOM 1576 O LYS B 44 3.683 -7.385 31.656 1.00 0.26 O ATOM 1577 CB LYS B 44 5.732 -5.144 30.686 1.00 0.34 C ATOM 1578 CG LYS B 44 6.904 -4.193 30.936 1.00 1.29 C ATOM 1579 CD LYS B 44 7.549 -3.828 29.599 1.00 1.23 C ATOM 1580 CE LYS B 44 8.700 -2.848 29.832 1.00 1.90 C ATOM 1581 NZ LYS B 44 9.934 -3.623 29.525 1.00 2.00 N ATOM 0 H LYS B 44 6.260 -7.080 32.356 1.00 0.29 H new ATOM 0 HA LYS B 44 4.717 -4.478 32.501 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.097 -6.083 30.271 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.053 -4.713 29.951 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.556 -3.293 31.443 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.637 -4.664 31.590 1.00 1.29 H new ATOM 0 HD2 LYS B 44 7.918 -4.727 29.105 1.00 1.23 H new ATOM 0 HD3 LYS B 44 6.807 -3.382 28.936 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.612 -1.975 29.186 1.00 1.90 H new ATOM 0 HE3 LYS B 44 8.707 -2.485 30.860 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 10.753 -3.162 29.970 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 9.838 -4.590 29.895 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 10.074 -3.659 28.495 1.00 2.00 H new ATOM 1595 N ILE B 45 2.616 -5.475 31.507 1.00 0.28 N ATOM 1596 CA ILE B 45 1.340 -6.167 31.175 1.00 0.26 C ATOM 1597 C ILE B 45 1.200 -6.294 29.657 1.00 0.26 C ATOM 1598 O ILE B 45 1.307 -5.325 28.932 1.00 0.29 O ATOM 1599 CB ILE B 45 0.245 -5.264 31.741 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.497 -5.039 33.233 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.118 -5.931 31.549 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.420 -3.926 33.743 1.00 1.24 C ATOM 0 H ILE B 45 2.562 -4.457 31.546 1.00 0.28 H new ATOM 0 HA ILE B 45 1.289 -7.174 31.588 1.00 0.26 H new ATOM 0 HB ILE B 45 0.256 -4.307 31.220 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.312 -5.959 33.787 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.540 -4.771 33.400 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.899 -5.286 31.953 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.296 -6.095 30.486 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -1.132 -6.888 32.071 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.241 -3.765 34.806 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.213 -3.006 33.197 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.460 -4.213 33.590 1.00 1.24 H new ATOM 1614 N ILE B 46 0.954 -7.482 29.176 1.00 0.26 N ATOM 1615 CA ILE B 46 0.797 -7.686 27.708 1.00 0.29 C ATOM 1616 C ILE B 46 -0.648 -8.081 27.388 1.00 0.28 C ATOM 1617 O ILE B 46 -1.147 -9.077 27.865 1.00 0.31 O ATOM 1618 CB ILE B 46 1.760 -8.829 27.368 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.191 -8.406 27.706 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.662 -9.172 25.880 1.00 0.37 C ATOM 1621 CD1 ILE B 46 3.468 -7.026 27.112 1.00 0.50 C ATOM 0 H ILE B 46 0.854 -8.325 29.741 1.00 0.26 H new ATOM 0 HA ILE B 46 1.015 -6.786 27.133 1.00 0.29 H new ATOM 0 HB ILE B 46 1.492 -9.709 27.952 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.329 -8.383 28.787 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.900 -9.133 27.310 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.350 -9.985 25.648 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.643 -9.480 25.644 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.923 -8.296 25.287 1.00 0.37 H new ATOM 0 HD11 ILE B 46 4.487 -6.724 27.353 1.00 0.50 H new ATOM 0 HD12 ILE B 46 3.347 -7.065 26.029 1.00 0.50 H new ATOM 0 HD13 ILE B 46 2.767 -6.303 27.530 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.328 -7.306 26.591 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.741 -7.650 26.255 1.00 0.29 C ATOM 1635 C LEU B 47 -2.885 -7.879 24.750 1.00 0.31 C ATOM 1636 O LEU B 47 -2.403 -7.104 23.948 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.563 -6.438 26.691 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.320 -6.160 28.175 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.999 -5.406 28.342 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.465 -5.307 28.726 1.00 1.23 C ATOM 0 H LEU B 47 -0.971 -6.454 26.159 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.070 -8.564 26.750 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.287 -5.566 26.097 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.623 -6.622 26.514 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.272 -7.103 28.719 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.825 -5.207 29.399 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.183 -6.011 27.947 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.047 -4.462 27.799 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.294 -5.108 29.784 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.511 -4.364 28.182 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.407 -5.841 28.605 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.559 -8.926 24.362 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.750 -9.189 22.907 1.00 0.34 C ATOM 1654 C LYS B 48 -5.156 -9.731 22.643 1.00 0.27 C ATOM 1655 O LYS B 48 -5.833 -10.189 23.542 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.694 -10.235 22.546 1.00 0.47 C ATOM 1657 CG LYS B 48 -3.027 -11.567 23.224 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.966 -12.604 22.847 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.599 -13.996 22.834 1.00 1.54 C ATOM 1660 NZ LYS B 48 -3.615 -13.947 21.745 1.00 1.74 N ATOM 0 H LYS B 48 -3.985 -9.610 24.987 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.644 -8.283 22.310 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.655 -10.367 21.465 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.708 -9.893 22.861 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -3.060 -11.440 24.306 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -4.014 -11.910 22.914 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.548 -12.373 21.867 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.142 -12.574 23.560 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -1.853 -14.767 22.643 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -3.060 -14.229 23.794 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -3.748 -14.900 21.351 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -4.518 -13.602 22.128 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -3.289 -13.304 20.995 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.584 -9.725 21.410 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.928 -10.284 21.088 1.00 0.25 C ATOM 1676 C LYS B 49 -6.998 -11.752 21.512 1.00 0.22 C ATOM 1677 O LYS B 49 -6.008 -12.454 21.522 1.00 0.24 O ATOM 1678 CB LYS B 49 -7.062 -10.161 19.572 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.454 -10.627 19.144 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.566 -10.571 17.619 1.00 0.54 C ATOM 1681 CE LYS B 49 -10.003 -10.884 17.199 1.00 1.08 C ATOM 1682 NZ LYS B 49 -9.896 -11.369 15.795 1.00 1.65 N ATOM 0 H LYS B 49 -5.063 -9.358 20.614 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.728 -9.758 21.609 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.902 -9.127 19.265 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.298 -10.762 19.079 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.632 -11.643 19.495 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.216 -9.994 19.598 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.278 -9.583 17.259 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.880 -11.287 17.167 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.447 -11.641 17.845 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.635 -9.998 17.264 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -10.843 -11.604 15.436 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.476 -10.625 15.202 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.294 -12.217 15.765 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.150 -12.200 21.925 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.266 -13.600 22.419 1.00 0.22 C ATOM 1698 C TYR B 50 -8.944 -14.486 21.371 1.00 0.25 C ATOM 1699 O TYR B 50 -10.113 -14.334 21.078 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.130 -13.499 23.675 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.317 -14.872 24.273 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.288 -15.818 24.185 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.518 -15.200 24.911 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.463 -17.092 24.737 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.693 -16.474 25.462 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.664 -17.420 25.375 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.837 -18.677 25.920 1.00 0.65 O ATOM 0 H TYR B 50 -9.014 -11.659 21.942 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.293 -14.047 22.622 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.658 -12.836 24.401 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.098 -13.064 23.428 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.361 -15.565 23.692 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.311 -14.469 24.978 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.670 -17.822 24.670 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.620 -16.728 25.954 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.727 -18.738 26.326 1.00 0.65 H new