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 Set 1.1: B 39 TYR OH : rot 180:sc= -0.244 USER MOD Set 1.2: B 48 LYS NZ :NH3+ 158:sc= 0.657 (180deg=-0.788) USER MOD Set 2.1: A 39 TYR OH : rot 180:sc= -0.337 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 162:sc= -0.228 (180deg=-1.71) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 92:sc= 1.02 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= 0.436 (180deg=0.265) USER MOD Single : A 49 LYS NZ :NH3+ -129:sc=-0.00985 (180deg=-0.291) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 THR OG1 : rot 92:sc= 1 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ -158:sc= 0.422 (180deg=0.33) USER MOD Single : B 49 LYS NZ :NH3+ -129:sc=-0.00706 (180deg=-0.288) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N ILE A 8 -4.880 -15.400 30.783 1.00 0.37 N ATOM 93 CA ILE A 8 -6.179 -15.050 31.436 1.00 0.37 C ATOM 94 C ILE A 8 -6.945 -14.054 30.565 1.00 0.32 C ATOM 95 O ILE A 8 -6.382 -13.121 30.044 1.00 0.30 O ATOM 96 CB ILE A 8 -5.801 -14.410 32.768 1.00 0.40 C ATOM 97 CG1 ILE A 8 -4.818 -15.318 33.513 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.057 -14.216 33.617 1.00 0.43 C ATOM 99 CD1 ILE A 8 -5.340 -16.756 33.500 1.00 1.36 C ATOM 0 HA ILE A 8 -6.819 -15.921 31.575 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.334 -13.443 32.584 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -3.836 -15.272 33.042 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.695 -14.974 34.540 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -6.786 -13.759 34.569 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -7.756 -13.568 33.089 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.526 -15.183 33.800 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.640 -17.402 34.030 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -6.313 -16.794 33.991 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.440 -17.098 32.470 1.00 1.36 H new ATOM 111 N VAL A 9 -8.198 -14.301 30.320 1.00 0.32 N ATOM 112 CA VAL A 9 -8.955 -13.423 29.377 1.00 0.29 C ATOM 113 C VAL A 9 -10.130 -12.745 30.086 1.00 0.32 C ATOM 114 O VAL A 9 -10.785 -13.328 30.928 1.00 0.37 O ATOM 115 CB VAL A 9 -9.453 -14.355 28.274 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.298 -13.562 27.277 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.251 -14.969 27.545 1.00 0.30 C ATOM 0 H VAL A 9 -8.733 -15.068 30.727 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.331 -12.621 28.982 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.058 -15.147 28.715 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.653 -14.228 26.490 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.152 -13.122 27.793 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.693 -12.770 26.836 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.604 -15.635 26.757 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.648 -14.175 27.105 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.646 -15.535 28.254 1.00 0.30 H new ATOM 127 N ARG A 10 -10.426 -11.528 29.714 1.00 0.31 N ATOM 128 CA ARG A 10 -11.585 -10.813 30.321 1.00 0.36 C ATOM 129 C ARG A 10 -12.470 -10.227 29.217 1.00 0.31 C ATOM 130 O ARG A 10 -12.037 -10.044 28.098 1.00 0.27 O ATOM 131 CB ARG A 10 -10.968 -9.701 31.169 1.00 0.40 C ATOM 132 CG ARG A 10 -12.071 -8.983 31.950 1.00 0.73 C ATOM 133 CD ARG A 10 -11.462 -7.830 32.752 1.00 0.86 C ATOM 134 NE ARG A 10 -12.588 -7.289 33.563 1.00 1.13 N ATOM 135 CZ ARG A 10 -13.531 -6.591 32.991 1.00 1.36 C ATOM 136 NH1 ARG A 10 -13.494 -6.362 31.706 1.00 1.61 N ATOM 137 NH2 ARG A 10 -14.516 -6.118 33.707 1.00 1.91 N ATOM 0 H ARG A 10 -9.912 -10.996 29.012 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.215 -11.471 30.919 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.233 -10.119 31.857 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.440 -8.993 30.531 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -12.828 -8.603 31.264 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.571 -9.682 32.620 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -10.649 -8.178 33.389 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.047 -7.067 32.094 1.00 0.86 H new ATOM 0 HE ARG A 10 -12.622 -7.464 34.567 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -12.726 -6.729 31.144 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -14.233 -5.816 31.264 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -14.547 -6.294 34.711 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -15.254 -5.572 33.262 1.00 1.91 H new ATOM 151 N LYS A 11 -13.706 -9.939 29.518 1.00 0.32 N ATOM 152 CA LYS A 11 -14.614 -9.374 28.477 1.00 0.29 C ATOM 153 C LYS A 11 -14.407 -7.861 28.357 1.00 0.26 C ATOM 154 O LYS A 11 -14.145 -7.181 29.329 1.00 0.27 O ATOM 155 CB LYS A 11 -16.027 -9.687 28.963 1.00 0.33 C ATOM 156 CG LYS A 11 -17.035 -9.334 27.870 1.00 1.02 C ATOM 157 CD LYS A 11 -18.442 -9.728 28.324 1.00 1.03 C ATOM 158 CE LYS A 11 -18.875 -8.829 29.485 1.00 1.81 C ATOM 159 NZ LYS A 11 -20.363 -8.855 29.456 1.00 2.21 N ATOM 0 H LYS A 11 -14.127 -10.070 30.438 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.423 -9.799 27.492 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.109 -10.743 29.220 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.245 -9.121 29.869 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -16.996 -8.266 27.657 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -16.781 -9.853 26.946 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -19.143 -9.632 27.495 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.456 -10.773 28.634 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -18.492 -9.200 30.436 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -18.495 -7.815 29.362 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -20.736 -8.261 30.224 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -20.699 -8.490 28.542 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -20.696 -9.832 29.582 1.00 2.21 H new ATOM 173 N VAL A 12 -14.542 -7.330 27.174 1.00 0.22 N ATOM 174 CA VAL A 12 -14.372 -5.856 26.992 1.00 0.21 C ATOM 175 C VAL A 12 -15.653 -5.130 27.406 1.00 0.20 C ATOM 176 O VAL A 12 -16.731 -5.465 26.963 1.00 0.20 O ATOM 177 CB VAL A 12 -14.123 -5.657 25.494 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.526 -4.269 25.256 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.157 -6.725 24.979 1.00 0.28 C ATOM 0 H VAL A 12 -14.762 -7.850 26.324 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.556 -5.461 27.598 1.00 0.21 H new ATOM 0 HB VAL A 12 -15.069 -5.744 24.959 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.349 -4.127 24.190 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.220 -3.508 25.613 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.583 -4.181 25.795 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.985 -6.577 23.913 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.210 -6.647 25.513 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.586 -7.713 25.143 1.00 0.28 H new ATOM 189 N ASP A 13 -15.546 -4.133 28.240 1.00 0.20 N ATOM 190 CA ASP A 13 -16.768 -3.391 28.656 1.00 0.21 C ATOM 191 C ASP A 13 -17.113 -2.319 27.613 1.00 0.22 C ATOM 192 O ASP A 13 -16.556 -2.291 26.533 1.00 0.22 O ATOM 193 CB ASP A 13 -16.425 -2.774 30.021 1.00 0.21 C ATOM 194 CG ASP A 13 -15.818 -1.383 29.845 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.621 -1.295 29.635 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.563 -0.421 29.919 1.00 0.55 O ATOM 0 H ASP A 13 -14.672 -3.802 28.649 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.644 -4.035 28.732 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.324 -2.709 30.633 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.724 -3.418 30.552 1.00 0.21 H new ATOM 201 N GLU A 14 -18.107 -1.519 27.878 1.00 0.23 N ATOM 202 CA GLU A 14 -18.587 -0.555 26.844 1.00 0.26 C ATOM 203 C GLU A 14 -17.449 0.332 26.320 1.00 0.26 C ATOM 204 O GLU A 14 -17.430 0.698 25.162 1.00 0.29 O ATOM 205 CB GLU A 14 -19.639 0.294 27.558 1.00 0.28 C ATOM 206 CG GLU A 14 -20.307 1.233 26.552 1.00 1.22 C ATOM 207 CD GLU A 14 -21.287 2.151 27.283 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.382 2.040 28.494 1.00 1.99 O ATOM 209 OE2 GLU A 14 -21.927 2.952 26.620 1.00 2.19 O ATOM 0 H GLU A 14 -18.609 -1.489 28.765 1.00 0.23 H new ATOM 0 HA GLU A 14 -18.986 -1.074 25.973 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -20.386 -0.349 28.023 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.174 0.871 28.357 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -19.552 1.827 26.036 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.832 0.655 25.792 1.00 1.22 H new ATOM 216 N LEU A 15 -16.579 0.788 27.178 1.00 0.23 N ATOM 217 CA LEU A 15 -15.551 1.776 26.728 1.00 0.24 C ATOM 218 C LEU A 15 -14.329 1.080 26.116 1.00 0.22 C ATOM 219 O LEU A 15 -13.417 1.728 25.644 1.00 0.24 O ATOM 220 CB LEU A 15 -15.151 2.544 27.986 1.00 0.28 C ATOM 221 CG LEU A 15 -13.993 3.487 27.653 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.323 4.274 26.383 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.782 4.463 28.813 1.00 1.38 C ATOM 0 H LEU A 15 -16.533 0.524 28.162 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.948 2.430 25.952 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -16.001 3.112 28.365 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.855 1.849 28.772 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.085 2.904 27.495 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.498 4.946 26.146 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.476 3.581 25.555 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.231 4.856 26.541 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -12.957 5.136 28.577 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.691 5.044 28.969 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.548 3.905 29.720 1.00 1.38 H new ATOM 235 N GLY A 16 -14.270 -0.221 26.154 1.00 0.21 N ATOM 236 CA GLY A 16 -13.066 -0.910 25.609 1.00 0.19 C ATOM 237 C GLY A 16 -11.937 -0.871 26.643 1.00 0.20 C ATOM 238 O GLY A 16 -10.812 -0.511 26.341 1.00 0.20 O ATOM 0 H GLY A 16 -14.993 -0.832 26.534 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.308 -1.943 25.359 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.744 -0.426 24.687 1.00 0.19 H new ATOM 242 N ARG A 17 -12.235 -1.184 27.873 1.00 0.24 N ATOM 243 CA ARG A 17 -11.190 -1.114 28.931 1.00 0.26 C ATOM 244 C ARG A 17 -10.902 -2.515 29.476 1.00 0.26 C ATOM 245 O ARG A 17 -11.734 -3.398 29.417 1.00 0.26 O ATOM 246 CB ARG A 17 -11.791 -0.221 30.017 1.00 0.28 C ATOM 247 CG ARG A 17 -11.949 1.201 29.475 1.00 0.28 C ATOM 248 CD ARG A 17 -12.504 2.112 30.571 1.00 0.29 C ATOM 249 NE ARG A 17 -13.908 1.660 30.770 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.760 2.432 31.394 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.370 3.580 31.881 1.00 0.73 N ATOM 252 NH2 ARG A 17 -16.003 2.058 31.534 1.00 1.15 N ATOM 0 H ARG A 17 -13.156 -1.485 28.191 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.244 -0.719 28.560 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.759 -0.612 30.331 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.148 -0.217 30.897 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -10.986 1.577 29.129 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.619 1.200 28.615 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.926 2.021 31.490 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.465 3.159 30.272 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.206 0.749 30.420 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.400 3.876 31.775 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.036 4.180 32.367 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.312 1.162 31.156 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.665 2.662 32.021 1.00 1.15 H new ATOM 266 N VAL A 18 -9.727 -2.726 29.999 1.00 0.26 N ATOM 267 CA VAL A 18 -9.381 -4.072 30.538 1.00 0.25 C ATOM 268 C VAL A 18 -8.938 -3.948 31.997 1.00 0.24 C ATOM 269 O VAL A 18 -8.508 -2.901 32.435 1.00 0.24 O ATOM 270 CB VAL A 18 -8.225 -4.563 29.666 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.649 -4.540 28.197 1.00 0.28 C ATOM 272 CG2 VAL A 18 -7.015 -3.648 29.862 1.00 0.26 C ATOM 0 H VAL A 18 -8.990 -2.025 30.077 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.226 -4.760 30.515 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.961 -5.581 29.952 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.825 -4.890 27.575 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.512 -5.192 28.057 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.913 -3.522 27.910 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.190 -3.997 29.241 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.279 -2.630 29.576 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.713 -3.664 30.909 1.00 0.26 H new ATOM 282 N VAL A 19 -9.111 -4.984 32.769 1.00 0.22 N ATOM 283 CA VAL A 19 -8.780 -4.888 34.219 1.00 0.21 C ATOM 284 C VAL A 19 -7.559 -5.746 34.549 1.00 0.22 C ATOM 285 O VAL A 19 -7.488 -6.903 34.189 1.00 0.23 O ATOM 286 CB VAL A 19 -10.018 -5.419 34.939 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.878 -5.180 36.444 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.262 -4.694 34.420 1.00 0.24 C ATOM 0 H VAL A 19 -9.466 -5.889 32.461 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.535 -3.869 34.518 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.116 -6.488 34.750 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.762 -5.559 36.956 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -8.994 -5.699 36.814 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.778 -4.111 36.635 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.145 -5.073 34.934 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.164 -3.625 34.607 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.364 -4.867 33.349 1.00 0.24 H new ATOM 298 N ILE A 20 -6.645 -5.217 35.316 1.00 0.22 N ATOM 299 CA ILE A 20 -5.486 -6.039 35.762 1.00 0.24 C ATOM 300 C ILE A 20 -5.890 -6.875 36.982 1.00 0.24 C ATOM 301 O ILE A 20 -6.468 -6.361 37.913 1.00 0.23 O ATOM 302 CB ILE A 20 -4.405 -5.013 36.123 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.626 -4.633 34.861 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.439 -5.602 37.155 1.00 0.24 C ATOM 305 CD1 ILE A 20 -4.556 -3.905 33.889 1.00 1.38 C ATOM 0 H ILE A 20 -6.651 -4.254 35.652 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.137 -6.740 35.003 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.882 -4.129 36.546 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -2.781 -3.995 35.120 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -3.217 -5.527 34.390 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.676 -4.864 37.403 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -3.989 -5.871 38.056 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -2.962 -6.491 36.742 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -4.003 -3.634 32.990 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -5.386 -4.559 33.621 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -4.943 -3.003 34.363 1.00 1.38 H new ATOM 317 N PRO A 21 -5.526 -8.128 36.957 1.00 0.28 N ATOM 318 CA PRO A 21 -5.812 -9.023 38.106 1.00 0.30 C ATOM 319 C PRO A 21 -5.172 -8.465 39.379 1.00 0.28 C ATOM 320 O PRO A 21 -4.104 -7.888 39.345 1.00 0.27 O ATOM 321 CB PRO A 21 -5.176 -10.360 37.713 1.00 0.35 C ATOM 322 CG PRO A 21 -4.305 -10.070 36.527 1.00 0.35 C ATOM 323 CD PRO A 21 -4.827 -8.819 35.875 1.00 0.32 C ATOM 0 HA PRO A 21 -6.878 -9.122 38.312 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.591 -10.771 38.536 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -5.939 -11.098 37.466 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.268 -9.937 36.837 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.323 -10.904 35.825 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.018 -8.212 35.469 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.498 -9.049 35.048 1.00 0.32 H new ATOM 331 N ILE A 22 -5.822 -8.607 40.501 1.00 0.30 N ATOM 332 CA ILE A 22 -5.254 -8.051 41.764 1.00 0.30 C ATOM 333 C ILE A 22 -3.845 -8.592 41.998 1.00 0.32 C ATOM 334 O ILE A 22 -2.999 -7.920 42.552 1.00 0.32 O ATOM 335 CB ILE A 22 -6.202 -8.522 42.867 1.00 0.35 C ATOM 336 CG1 ILE A 22 -5.900 -7.763 44.161 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.009 -10.021 43.100 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.207 -6.278 43.967 1.00 1.11 C ATOM 0 H ILE A 22 -6.719 -9.082 40.599 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.172 -6.965 41.734 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.232 -8.330 42.565 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.499 -8.165 44.979 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -4.854 -7.896 44.437 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.685 -10.357 43.886 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.225 -10.563 42.179 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -4.979 -10.213 43.400 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -5.992 -5.738 44.889 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.589 -5.881 43.162 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.259 -6.154 43.712 1.00 1.11 H new ATOM 350 N GLU A 23 -3.579 -9.792 41.573 1.00 0.36 N ATOM 351 CA GLU A 23 -2.213 -10.353 41.770 1.00 0.40 C ATOM 352 C GLU A 23 -1.179 -9.464 41.074 1.00 0.37 C ATOM 353 O GLU A 23 -0.086 -9.258 41.563 1.00 0.39 O ATOM 354 CB GLU A 23 -2.257 -11.733 41.110 1.00 0.44 C ATOM 355 CG GLU A 23 -3.248 -12.626 41.859 1.00 1.22 C ATOM 356 CD GLU A 23 -3.242 -14.026 41.243 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.630 -14.190 40.199 1.00 2.01 O ATOM 358 OE2 GLU A 23 -3.850 -14.909 41.822 1.00 2.37 O ATOM 0 H GLU A 23 -4.242 -10.407 41.101 1.00 0.36 H new ATOM 0 HA GLU A 23 -1.934 -10.410 42.822 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -2.554 -11.639 40.065 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -1.265 -12.184 41.120 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -2.979 -12.680 42.914 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -4.249 -12.199 41.807 1.00 1.22 H new ATOM 365 N LEU A 24 -1.540 -8.896 39.957 1.00 0.34 N ATOM 366 CA LEU A 24 -0.607 -7.982 39.243 1.00 0.33 C ATOM 367 C LEU A 24 -0.653 -6.581 39.855 1.00 0.29 C ATOM 368 O LEU A 24 0.345 -5.897 39.918 1.00 0.29 O ATOM 369 CB LEU A 24 -1.101 -7.955 37.796 1.00 0.33 C ATOM 370 CG LEU A 24 -0.971 -9.351 37.184 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.347 -9.296 35.702 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.475 -9.833 37.323 1.00 1.75 C ATOM 0 H LEU A 24 -2.446 -9.027 39.506 1.00 0.34 H new ATOM 0 HA LEU A 24 0.427 -8.319 39.313 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.140 -7.627 37.762 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.521 -7.237 37.216 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.638 -10.039 37.703 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.254 -10.291 35.266 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.375 -8.950 35.600 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.679 -8.609 35.183 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.570 -10.828 36.888 1.00 1.75 H new ATOM 0 HD22 LEU A 24 1.140 -9.144 36.802 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.746 -9.871 38.378 1.00 1.75 H new ATOM 384 N ARG A 25 -1.777 -6.181 40.385 1.00 0.25 N ATOM 385 CA ARG A 25 -1.823 -4.858 41.073 1.00 0.23 C ATOM 386 C ARG A 25 -0.788 -4.839 42.195 1.00 0.25 C ATOM 387 O ARG A 25 -0.094 -3.862 42.397 1.00 0.25 O ATOM 388 CB ARG A 25 -3.232 -4.733 41.665 1.00 0.22 C ATOM 389 CG ARG A 25 -4.290 -4.756 40.559 1.00 0.21 C ATOM 390 CD ARG A 25 -5.656 -4.417 41.171 1.00 0.22 C ATOM 391 NE ARG A 25 -6.661 -4.929 40.203 1.00 0.23 N ATOM 392 CZ ARG A 25 -7.891 -5.142 40.587 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.247 -4.897 41.820 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.768 -5.599 39.736 1.00 0.27 N ATOM 0 H ARG A 25 -2.653 -6.703 40.373 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.606 -4.037 40.390 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.412 -5.550 42.363 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.312 -3.806 42.232 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.037 -4.037 39.780 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.321 -5.738 40.088 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.776 -4.886 42.147 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.765 -3.342 41.318 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.390 -5.114 39.237 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.563 -4.538 42.486 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.209 -5.065 42.116 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.493 -5.789 38.773 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.729 -5.766 40.034 1.00 0.27 H new ATOM 408 N ARG A 26 -0.711 -5.898 42.950 1.00 0.29 N ATOM 409 CA ARG A 26 0.246 -5.928 44.095 1.00 0.33 C ATOM 410 C ARG A 26 1.687 -6.054 43.593 1.00 0.35 C ATOM 411 O ARG A 26 2.565 -5.322 44.002 1.00 0.35 O ATOM 412 CB ARG A 26 -0.146 -7.167 44.901 1.00 0.37 C ATOM 413 CG ARG A 26 0.714 -7.249 46.163 1.00 1.07 C ATOM 414 CD ARG A 26 0.280 -6.160 47.148 1.00 1.25 C ATOM 415 NE ARG A 26 1.221 -6.285 48.297 1.00 1.85 N ATOM 416 CZ ARG A 26 1.198 -5.404 49.262 1.00 2.32 C ATOM 417 NH1 ARG A 26 0.351 -4.411 49.225 1.00 2.40 N ATOM 418 NH2 ARG A 26 2.025 -5.518 50.266 1.00 3.26 N ATOM 0 H ARG A 26 -1.267 -6.744 42.826 1.00 0.29 H new ATOM 0 HA ARG A 26 0.200 -5.015 44.689 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -1.201 -7.120 45.170 1.00 0.37 H new ATOM 0 HB3 ARG A 26 -0.011 -8.064 44.297 1.00 0.37 H new ATOM 0 HG2 ARG A 26 0.611 -8.232 46.623 1.00 1.07 H new ATOM 0 HG3 ARG A 26 1.766 -7.125 45.908 1.00 1.07 H new ATOM 0 HD2 ARG A 26 0.339 -5.171 46.694 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -0.753 -6.303 47.466 1.00 1.25 H new ATOM 0 HE ARG A 26 1.884 -7.059 48.330 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -0.296 -4.321 48.441 1.00 2.40 H new ATOM 0 HH12 ARG A 26 0.336 -3.725 49.980 1.00 2.40 H new ATOM 0 HH21 ARG A 26 2.687 -6.293 50.296 1.00 3.26 H new ATOM 0 HH22 ARG A 26 2.009 -4.832 51.020 1.00 3.26 H new ATOM 432 N THR A 27 1.944 -7.001 42.733 1.00 0.37 N ATOM 433 CA THR A 27 3.337 -7.213 42.241 1.00 0.41 C ATOM 434 C THR A 27 3.836 -5.995 41.457 1.00 0.39 C ATOM 435 O THR A 27 5.019 -5.718 41.416 1.00 0.42 O ATOM 436 CB THR A 27 3.254 -8.437 41.330 1.00 0.44 C ATOM 437 OG1 THR A 27 2.675 -9.520 42.045 1.00 0.61 O ATOM 438 CG2 THR A 27 4.657 -8.824 40.859 1.00 0.77 C ATOM 0 H THR A 27 1.248 -7.640 42.348 1.00 0.37 H new ATOM 0 HA THR A 27 4.037 -7.357 43.064 1.00 0.41 H new ATOM 0 HB THR A 27 2.636 -8.203 40.463 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.705 -9.523 41.906 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.595 -9.697 40.210 1.00 0.77 H new ATOM 0 HG22 THR A 27 5.098 -7.993 40.309 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.279 -9.058 41.723 1.00 0.77 H new ATOM 446 N LEU A 28 2.958 -5.296 40.795 1.00 0.35 N ATOM 447 CA LEU A 28 3.408 -4.140 39.967 1.00 0.34 C ATOM 448 C LEU A 28 3.471 -2.862 40.810 1.00 0.32 C ATOM 449 O LEU A 28 3.917 -1.829 40.348 1.00 0.33 O ATOM 450 CB LEU A 28 2.354 -4.011 38.865 1.00 0.32 C ATOM 451 CG LEU A 28 2.836 -3.013 37.812 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.993 -3.627 37.018 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.685 -2.683 36.858 1.00 1.05 C ATOM 0 H LEU A 28 1.953 -5.472 40.790 1.00 0.35 H new ATOM 0 HA LEU A 28 4.408 -4.291 39.561 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.173 -4.982 38.405 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.407 -3.678 39.290 1.00 0.32 H new ATOM 0 HG LEU A 28 3.175 -2.102 38.304 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.337 -2.916 36.267 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.813 -3.865 37.695 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.653 -4.538 36.526 1.00 0.70 H new ATOM 0 HD21 LEU A 28 2.028 -1.971 36.107 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.347 -3.595 36.366 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.860 -2.247 37.421 1.00 1.05 H new ATOM 465 N GLY A 29 3.053 -2.920 42.044 1.00 0.32 N ATOM 466 CA GLY A 29 3.116 -1.707 42.906 1.00 0.32 C ATOM 467 C GLY A 29 2.184 -0.631 42.347 1.00 0.29 C ATOM 468 O GLY A 29 2.543 0.525 42.252 1.00 0.29 O ATOM 0 H GLY A 29 2.671 -3.753 42.492 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.827 -1.958 43.926 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.138 -1.331 42.948 1.00 0.32 H new ATOM 472 N ILE A 30 1.004 -1.007 41.947 1.00 0.27 N ATOM 473 CA ILE A 30 0.066 -0.007 41.354 1.00 0.24 C ATOM 474 C ILE A 30 -1.173 0.157 42.233 1.00 0.23 C ATOM 475 O ILE A 30 -1.698 -0.793 42.779 1.00 0.26 O ATOM 476 CB ILE A 30 -0.316 -0.569 39.988 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.947 -0.770 39.149 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.250 0.411 39.276 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.781 0.515 39.170 1.00 0.29 C ATOM 0 H ILE A 30 0.646 -1.960 42.003 1.00 0.27 H new ATOM 0 HA ILE A 30 0.525 0.978 41.273 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.823 -1.525 40.117 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.530 -1.602 39.543 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.679 -1.026 38.124 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.523 0.010 38.300 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.150 0.555 39.874 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.743 1.367 39.146 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.682 0.374 38.573 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.195 1.336 38.755 1.00 0.29 H new ATOM 0 HD13 ILE A 30 2.060 0.751 40.197 1.00 0.29 H new ATOM 491 N ALA A 31 -1.621 1.368 42.394 1.00 0.22 N ATOM 492 CA ALA A 31 -2.804 1.633 43.262 1.00 0.23 C ATOM 493 C ALA A 31 -3.690 2.707 42.626 1.00 0.20 C ATOM 494 O ALA A 31 -3.301 3.371 41.688 1.00 0.18 O ATOM 495 CB ALA A 31 -2.220 2.142 44.579 1.00 0.23 C ATOM 0 H ALA A 31 -1.215 2.196 41.958 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.422 0.746 43.402 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.029 2.361 45.275 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.569 1.380 45.007 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.644 3.049 44.395 1.00 0.23 H new ATOM 501 N GLU A 32 -4.881 2.877 43.124 1.00 0.22 N ATOM 502 CA GLU A 32 -5.794 3.901 42.540 1.00 0.21 C ATOM 503 C GLU A 32 -5.094 5.265 42.467 1.00 0.19 C ATOM 504 O GLU A 32 -4.249 5.580 43.278 1.00 0.20 O ATOM 505 CB GLU A 32 -6.984 3.959 43.498 1.00 0.25 C ATOM 506 CG GLU A 32 -8.081 4.839 42.896 1.00 0.27 C ATOM 507 CD GLU A 32 -9.226 4.988 43.901 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.111 4.438 44.984 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.197 5.647 43.569 1.00 1.13 O ATOM 0 H GLU A 32 -5.264 2.352 43.910 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.098 3.650 41.524 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.367 2.955 43.680 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.670 4.360 44.462 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.677 5.819 42.641 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.450 4.396 41.971 1.00 0.27 H new ATOM 516 N LYS A 33 -5.467 6.074 41.503 1.00 0.19 N ATOM 517 CA LYS A 33 -4.887 7.444 41.351 1.00 0.20 C ATOM 518 C LYS A 33 -3.400 7.408 40.967 1.00 0.18 C ATOM 519 O LYS A 33 -2.820 8.425 40.645 1.00 0.21 O ATOM 520 CB LYS A 33 -5.087 8.124 42.700 1.00 0.23 C ATOM 521 CG LYS A 33 -6.563 8.490 42.879 1.00 0.29 C ATOM 522 CD LYS A 33 -6.743 9.272 44.181 1.00 0.87 C ATOM 523 CE LYS A 33 -8.232 9.536 44.417 1.00 1.35 C ATOM 524 NZ LYS A 33 -8.707 8.373 45.218 1.00 1.88 N ATOM 0 H LYS A 33 -6.166 5.834 40.800 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.379 7.985 40.543 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -4.767 7.461 43.504 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.470 9.020 42.761 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -6.905 9.087 42.034 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -7.172 7.587 42.898 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -6.326 8.709 45.016 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -6.199 10.215 44.129 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -8.387 10.473 44.952 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -8.773 9.614 43.474 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -9.721 8.482 45.420 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -8.553 7.496 44.681 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -8.179 8.329 46.113 1.00 1.88 H new ATOM 538 N ASP A 34 -2.807 6.251 40.877 1.00 0.16 N ATOM 539 CA ASP A 34 -1.406 6.181 40.369 1.00 0.16 C ATOM 540 C ASP A 34 -1.392 6.369 38.850 1.00 0.19 C ATOM 541 O ASP A 34 -2.426 6.384 38.212 1.00 0.20 O ATOM 542 CB ASP A 34 -0.908 4.790 40.745 1.00 0.17 C ATOM 543 CG ASP A 34 -0.641 4.741 42.249 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.727 5.781 42.882 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.353 3.665 42.741 1.00 1.08 O ATOM 0 H ASP A 34 -3.226 5.356 41.131 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.773 6.960 40.794 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.649 4.039 40.470 1.00 0.17 H new ATOM 0 HB3 ASP A 34 0.003 4.556 40.194 1.00 0.17 H new ATOM 550 N ALA A 35 -0.242 6.596 38.278 1.00 0.22 N ATOM 551 CA ALA A 35 -0.187 6.881 36.815 1.00 0.28 C ATOM 552 C ALA A 35 0.313 5.656 36.041 1.00 0.20 C ATOM 553 O ALA A 35 1.368 5.121 36.318 1.00 0.16 O ATOM 554 CB ALA A 35 0.800 8.040 36.679 1.00 0.36 C ATOM 0 H ALA A 35 0.659 6.597 38.757 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.169 7.124 36.409 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.898 8.313 35.628 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.434 8.898 37.244 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.772 7.737 37.068 1.00 0.36 H new ATOM 560 N LEU A 36 -0.392 5.275 35.009 1.00 0.24 N ATOM 561 CA LEU A 36 0.086 4.161 34.140 1.00 0.21 C ATOM 562 C LEU A 36 0.548 4.725 32.795 1.00 0.20 C ATOM 563 O LEU A 36 -0.134 5.532 32.197 1.00 0.23 O ATOM 564 CB LEU A 36 -1.136 3.269 33.928 1.00 0.34 C ATOM 565 CG LEU A 36 -1.810 2.977 35.267 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.228 2.467 35.009 1.00 0.55 C ATOM 567 CD2 LEU A 36 -1.014 1.910 36.019 1.00 0.56 C ATOM 0 H LEU A 36 -1.281 5.689 34.730 1.00 0.24 H new ATOM 0 HA LEU A 36 0.921 3.619 34.584 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.841 3.758 33.256 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.837 2.336 33.451 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.847 3.887 35.866 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.717 2.256 35.960 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.795 3.226 34.470 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.184 1.555 34.413 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.496 1.702 36.974 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -0.978 0.997 35.425 1.00 0.56 H new ATOM 0 HD23 LEU A 36 0.000 2.269 36.195 1.00 0.56 H new ATOM 579 N GLU A 37 1.614 4.214 32.246 1.00 0.19 N ATOM 580 CA GLU A 37 1.999 4.637 30.871 1.00 0.21 C ATOM 581 C GLU A 37 1.669 3.522 29.876 1.00 0.19 C ATOM 582 O GLU A 37 1.751 2.351 30.191 1.00 0.20 O ATOM 583 CB GLU A 37 3.506 4.893 30.927 1.00 0.25 C ATOM 584 CG GLU A 37 3.981 5.435 29.578 1.00 0.26 C ATOM 585 CD GLU A 37 5.502 5.601 29.602 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.097 5.278 30.617 1.00 1.08 O ATOM 587 OE2 GLU A 37 6.044 6.050 28.607 1.00 1.17 O ATOM 0 H GLU A 37 2.230 3.529 32.684 1.00 0.19 H new ATOM 0 HA GLU A 37 1.461 5.527 30.545 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.735 5.606 31.719 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.034 3.970 31.167 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.691 4.754 28.778 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.503 6.392 29.370 1.00 0.26 H new ATOM 594 N ILE A 38 1.177 3.883 28.726 1.00 0.21 N ATOM 595 CA ILE A 38 0.693 2.859 27.759 1.00 0.20 C ATOM 596 C ILE A 38 1.606 2.807 26.533 1.00 0.20 C ATOM 597 O ILE A 38 1.995 3.826 25.988 1.00 0.24 O ATOM 598 CB ILE A 38 -0.709 3.319 27.362 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.576 3.449 28.616 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.335 2.294 26.413 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.939 4.032 28.238 1.00 0.84 C ATOM 0 H ILE A 38 1.088 4.849 28.411 1.00 0.21 H new ATOM 0 HA ILE A 38 0.688 1.858 28.191 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.646 4.285 26.861 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.704 2.473 29.085 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.084 4.092 29.346 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.335 2.623 26.130 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.718 2.201 25.520 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.399 1.327 26.912 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.556 4.124 29.132 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.802 5.016 27.789 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.432 3.372 27.524 1.00 0.84 H new ATOM 613 N TYR A 39 1.967 1.622 26.127 1.00 0.19 N ATOM 614 CA TYR A 39 2.885 1.449 24.967 1.00 0.21 C ATOM 615 C TYR A 39 2.156 0.744 23.820 1.00 0.20 C ATOM 616 O TYR A 39 1.218 0.006 24.038 1.00 0.20 O ATOM 617 CB TYR A 39 3.994 0.548 25.498 1.00 0.24 C ATOM 618 CG TYR A 39 4.982 1.349 26.298 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.561 2.066 27.422 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.322 1.359 25.918 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.491 2.798 28.171 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.254 2.089 26.663 1.00 0.36 C ATOM 623 CZ TYR A 39 6.839 2.809 27.792 1.00 0.39 C ATOM 624 OH TYR A 39 7.757 3.531 28.529 1.00 0.45 O ATOM 0 H TYR A 39 1.659 0.750 26.558 1.00 0.19 H new ATOM 0 HA TYR A 39 3.256 2.399 24.583 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.566 -0.239 26.119 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.502 0.057 24.667 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.521 2.055 27.712 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.641 0.803 25.049 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.169 3.353 29.040 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.293 2.098 26.369 1.00 0.36 H new ATOM 0 HH TYR A 39 8.647 3.431 28.131 1.00 0.45 H new ATOM 634 N VAL A 40 2.660 0.858 22.623 1.00 0.21 N ATOM 635 CA VAL A 40 2.068 0.071 21.501 1.00 0.22 C ATOM 636 C VAL A 40 3.163 -0.603 20.671 1.00 0.22 C ATOM 637 O VAL A 40 4.025 0.049 20.116 1.00 0.23 O ATOM 638 CB VAL A 40 1.310 1.093 20.655 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.747 0.406 19.410 1.00 0.27 C ATOM 640 CG2 VAL A 40 0.158 1.675 21.478 1.00 0.27 C ATOM 0 H VAL A 40 3.448 1.455 22.373 1.00 0.21 H new ATOM 0 HA VAL A 40 1.419 -0.726 21.864 1.00 0.22 H new ATOM 0 HB VAL A 40 1.987 1.893 20.355 1.00 0.25 H new ATOM 0 HG11 VAL A 40 0.206 1.134 18.806 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.565 -0.015 18.825 1.00 0.27 H new ATOM 0 HG13 VAL A 40 0.068 -0.392 19.710 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.385 2.405 20.878 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.518 0.873 21.775 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.556 2.162 22.368 1.00 0.27 H new ATOM 650 N ASP A 41 3.104 -1.901 20.540 1.00 0.21 N ATOM 651 CA ASP A 41 4.103 -2.613 19.693 1.00 0.22 C ATOM 652 C ASP A 41 3.460 -3.839 19.032 1.00 0.25 C ATOM 653 O ASP A 41 2.740 -4.581 19.662 1.00 0.27 O ATOM 654 CB ASP A 41 5.207 -3.046 20.658 1.00 0.20 C ATOM 655 CG ASP A 41 4.718 -4.219 21.509 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.541 -4.241 21.830 1.00 1.77 O ATOM 657 OD2 ASP A 41 5.527 -5.076 21.820 1.00 1.69 O ATOM 0 H ASP A 41 2.407 -2.499 20.983 1.00 0.21 H new ATOM 0 HA ASP A 41 4.486 -1.982 18.891 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.098 -3.335 20.100 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.490 -2.212 21.300 1.00 0.20 H new ATOM 662 N ASP A 42 3.802 -4.115 17.805 1.00 0.27 N ATOM 663 CA ASP A 42 3.304 -5.360 17.151 1.00 0.33 C ATOM 664 C ASP A 42 1.813 -5.581 17.446 1.00 0.33 C ATOM 665 O ASP A 42 1.391 -6.678 17.752 1.00 0.37 O ATOM 666 CB ASP A 42 4.144 -6.478 17.761 1.00 0.38 C ATOM 667 CG ASP A 42 3.679 -7.829 17.211 1.00 0.45 C ATOM 668 OD1 ASP A 42 2.847 -7.827 16.319 1.00 1.14 O ATOM 669 OD2 ASP A 42 4.164 -8.840 17.690 1.00 1.22 O ATOM 0 H ASP A 42 4.406 -3.532 17.225 1.00 0.27 H new ATOM 0 HA ASP A 42 3.395 -5.316 16.066 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.198 -6.323 17.529 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.051 -6.465 18.847 1.00 0.38 H new ATOM 674 N GLU A 43 1.006 -4.567 17.284 1.00 0.30 N ATOM 675 CA GLU A 43 -0.468 -4.739 17.469 1.00 0.31 C ATOM 676 C GLU A 43 -0.782 -5.238 18.883 1.00 0.30 C ATOM 677 O GLU A 43 -1.898 -5.607 19.187 1.00 0.31 O ATOM 678 CB GLU A 43 -0.885 -5.780 16.428 1.00 0.35 C ATOM 679 CG GLU A 43 -0.574 -5.252 15.025 1.00 1.17 C ATOM 680 CD GLU A 43 -1.058 -6.260 13.981 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.435 -7.353 14.372 1.00 1.68 O ATOM 682 OE2 GLU A 43 -1.044 -5.921 12.809 1.00 1.93 O ATOM 0 H GLU A 43 1.303 -3.624 17.031 1.00 0.30 H new ATOM 0 HA GLU A 43 -1.004 -3.798 17.343 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.355 -6.716 16.602 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -1.950 -5.995 16.519 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -1.062 -4.290 14.871 1.00 1.17 H new ATOM 0 HG3 GLU A 43 0.498 -5.087 14.917 1.00 1.17 H new ATOM 689 N LYS A 44 0.172 -5.173 19.766 1.00 0.29 N ATOM 690 CA LYS A 44 -0.092 -5.554 21.183 1.00 0.30 C ATOM 691 C LYS A 44 0.048 -4.331 22.090 1.00 0.27 C ATOM 692 O LYS A 44 0.827 -3.439 21.827 1.00 0.26 O ATOM 693 CB LYS A 44 0.978 -6.591 21.528 1.00 0.34 C ATOM 694 CG LYS A 44 0.721 -7.879 20.745 1.00 1.29 C ATOM 695 CD LYS A 44 1.707 -8.955 21.204 1.00 1.23 C ATOM 696 CE LYS A 44 1.463 -10.244 20.418 1.00 1.90 C ATOM 697 NZ LYS A 44 2.614 -10.345 19.477 1.00 2.01 N ATOM 0 H LYS A 44 1.126 -4.872 19.569 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.100 -5.947 21.320 1.00 0.30 H new ATOM 0 HB2 LYS A 44 1.967 -6.200 21.289 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.967 -6.797 22.598 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.303 -8.216 20.904 1.00 1.29 H new ATOM 0 HG3 LYS A 44 0.835 -7.697 19.676 1.00 1.29 H new ATOM 0 HD2 LYS A 44 2.731 -8.613 21.052 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.588 -9.140 22.272 1.00 1.23 H new ATOM 0 HE2 LYS A 44 1.418 -11.108 21.081 1.00 1.90 H new ATOM 0 HE3 LYS A 44 0.516 -10.205 19.880 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 2.367 -10.983 18.694 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 2.837 -9.402 19.099 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.443 -10.721 19.981 1.00 2.01 H new ATOM 711 N ILE A 45 -0.706 -4.278 23.152 1.00 0.28 N ATOM 712 CA ILE A 45 -0.614 -3.106 24.068 1.00 0.27 C ATOM 713 C ILE A 45 0.256 -3.452 25.279 1.00 0.27 C ATOM 714 O ILE A 45 0.019 -4.428 25.963 1.00 0.29 O ATOM 715 CB ILE A 45 -2.053 -2.845 24.506 1.00 0.30 C ATOM 716 CG1 ILE A 45 -2.934 -2.657 23.269 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.105 -1.579 25.364 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.405 -2.712 23.679 1.00 1.25 C ATOM 0 H ILE A 45 -1.380 -4.993 23.425 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.164 -2.237 23.589 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.415 -3.693 25.088 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -2.713 -1.701 22.794 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.720 -3.434 22.536 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.133 -1.393 25.676 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.476 -1.710 26.245 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -1.743 -0.731 24.783 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.033 -2.578 22.798 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.620 -3.679 24.135 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.613 -1.918 24.397 1.00 1.25 H new ATOM 730 N ILE A 46 1.242 -2.646 25.565 1.00 0.26 N ATOM 731 CA ILE A 46 2.106 -2.908 26.753 1.00 0.29 C ATOM 732 C ILE A 46 1.883 -1.833 27.818 1.00 0.29 C ATOM 733 O ILE A 46 2.141 -0.669 27.602 1.00 0.31 O ATOM 734 CB ILE A 46 3.538 -2.848 26.214 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.783 -4.050 25.302 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.537 -2.865 27.374 1.00 0.37 C ATOM 737 CD1 ILE A 46 4.877 -3.703 24.297 1.00 0.50 C ATOM 0 H ILE A 46 1.488 -1.815 25.026 1.00 0.26 H new ATOM 0 HA ILE A 46 1.886 -3.866 27.225 1.00 0.29 H new ATOM 0 HB ILE A 46 3.673 -1.926 25.649 1.00 0.32 H new ATOM 0 HG12 ILE A 46 4.078 -4.916 25.894 1.00 0.44 H new ATOM 0 HG13 ILE A 46 2.865 -4.318 24.780 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.552 -2.822 26.980 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.361 -2.004 28.018 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.410 -3.781 27.950 1.00 0.37 H new ATOM 0 HD11 ILE A 46 5.056 -4.557 23.644 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.563 -2.848 23.698 1.00 0.50 H new ATOM 0 HD13 ILE A 46 5.795 -3.455 24.830 1.00 0.50 H new ATOM 749 N LEU A 47 1.420 -2.218 28.975 1.00 0.28 N ATOM 750 CA LEU A 47 1.205 -1.218 30.060 1.00 0.29 C ATOM 751 C LEU A 47 2.260 -1.392 31.152 1.00 0.31 C ATOM 752 O LEU A 47 2.572 -2.496 31.555 1.00 0.39 O ATOM 753 CB LEU A 47 -0.185 -1.518 30.617 1.00 0.34 C ATOM 754 CG LEU A 47 -1.219 -1.441 29.492 1.00 0.90 C ATOM 755 CD1 LEU A 47 -1.178 -2.728 28.667 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.615 -1.271 30.097 1.00 1.24 C ATOM 0 H LEU A 47 1.181 -3.180 29.216 1.00 0.28 H new ATOM 0 HA LEU A 47 1.284 -0.195 29.693 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.200 -2.509 31.070 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.434 -0.805 31.403 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.991 -0.591 28.849 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.915 -2.671 27.866 1.00 1.66 H new ATOM 0 HD12 LEU A 47 -0.184 -2.853 28.237 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.405 -3.579 29.309 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.354 -1.216 29.297 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.839 -2.122 30.740 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.648 -0.354 30.685 1.00 1.24 H new ATOM 768 N LYS A 48 2.821 -0.314 31.618 1.00 0.29 N ATOM 769 CA LYS A 48 3.874 -0.412 32.670 1.00 0.35 C ATOM 770 C LYS A 48 3.731 0.740 33.667 1.00 0.28 C ATOM 771 O LYS A 48 3.115 1.745 33.379 1.00 0.25 O ATOM 772 CB LYS A 48 5.200 -0.305 31.914 1.00 0.47 C ATOM 773 CG LYS A 48 5.269 1.038 31.183 1.00 0.65 C ATOM 774 CD LYS A 48 6.597 1.140 30.431 1.00 0.85 C ATOM 775 CE LYS A 48 6.601 0.153 29.263 1.00 1.54 C ATOM 776 NZ LYS A 48 8.022 0.083 28.823 1.00 1.74 N ATOM 0 H LYS A 48 2.597 0.634 31.317 1.00 0.29 H new ATOM 0 HA LYS A 48 3.804 -1.338 33.241 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.035 -0.395 32.609 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.290 -1.124 31.200 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.436 1.128 30.486 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.178 1.858 31.896 1.00 0.65 H new ATOM 0 HD2 LYS A 48 6.741 2.156 30.063 1.00 0.85 H new ATOM 0 HD3 LYS A 48 7.426 0.925 31.105 1.00 0.85 H new ATOM 0 HE2 LYS A 48 6.235 -0.826 29.572 1.00 1.54 H new ATOM 0 HE3 LYS A 48 5.954 0.495 28.455 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.166 -0.773 28.250 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 8.251 0.923 28.254 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 8.642 0.050 29.657 1.00 1.74 H new ATOM 790 N LYS A 49 4.356 0.636 34.807 1.00 0.28 N ATOM 791 CA LYS A 49 4.313 1.770 35.775 1.00 0.25 C ATOM 792 C LYS A 49 4.818 3.043 35.100 1.00 0.22 C ATOM 793 O LYS A 49 5.613 2.996 34.183 1.00 0.24 O ATOM 794 CB LYS A 49 5.240 1.362 36.917 1.00 0.29 C ATOM 795 CG LYS A 49 5.193 2.423 38.017 1.00 0.30 C ATOM 796 CD LYS A 49 6.169 2.044 39.134 1.00 0.54 C ATOM 797 CE LYS A 49 6.006 3.014 40.306 1.00 1.08 C ATOM 798 NZ LYS A 49 4.788 2.548 41.024 1.00 1.65 N ATOM 0 H LYS A 49 4.891 -0.178 35.110 1.00 0.28 H new ATOM 0 HA LYS A 49 3.304 1.972 36.133 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.937 0.394 37.317 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.260 1.250 36.549 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.454 3.399 37.607 1.00 0.30 H new ATOM 0 HG3 LYS A 49 4.182 2.505 38.415 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.981 1.023 39.465 1.00 0.54 H new ATOM 0 HD3 LYS A 49 7.193 2.075 38.762 1.00 0.54 H new ATOM 0 HE2 LYS A 49 6.880 2.996 40.958 1.00 1.08 H new ATOM 0 HE3 LYS A 49 5.890 4.040 39.956 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 4.141 3.349 41.166 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 4.313 1.814 40.461 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 5.059 2.154 41.948 1.00 1.65 H new ATOM 812 N TYR A 50 4.299 4.171 35.486 1.00 0.20 N ATOM 813 CA TYR A 50 4.682 5.433 34.792 1.00 0.21 C ATOM 814 C TYR A 50 5.723 6.203 35.608 1.00 0.22 C ATOM 815 O TYR A 50 5.481 6.594 36.733 1.00 0.22 O ATOM 816 CB TYR A 50 3.384 6.239 34.684 1.00 0.20 C ATOM 817 CG TYR A 50 3.645 7.538 33.953 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.811 7.699 33.194 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.717 8.584 34.036 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.049 8.902 32.521 1.00 0.30 C ATOM 821 CE2 TYR A 50 2.955 9.788 33.361 1.00 0.28 C ATOM 822 CZ TYR A 50 4.122 9.947 32.604 1.00 0.30 C ATOM 823 OH TYR A 50 4.358 11.133 31.940 1.00 0.35 O ATOM 0 H TYR A 50 3.629 4.277 36.248 1.00 0.20 H new ATOM 0 HA TYR A 50 5.128 5.241 33.816 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.628 5.659 34.154 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.989 6.444 35.679 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.527 6.893 33.128 1.00 0.26 H new ATOM 0 HD2 TYR A 50 1.817 8.462 34.621 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.949 9.024 31.937 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.238 10.594 33.424 1.00 0.28 H new ATOM 0 HH TYR A 50 3.615 11.752 32.102 1.00 0.35 H new ATOM 995 N VAL B 9 -0.332 8.208 28.696 1.00 0.32 N ATOM 996 CA VAL B 9 -0.555 7.720 30.088 1.00 0.29 C ATOM 997 C VAL B 9 -1.981 8.028 30.554 1.00 0.32 C ATOM 998 O VAL B 9 -2.540 9.061 30.244 1.00 0.37 O ATOM 999 CB VAL B 9 0.466 8.469 30.943 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.284 8.083 32.411 1.00 0.27 C ATOM 1001 CG2 VAL B 9 1.880 8.091 30.492 1.00 0.30 C ATOM 0 HA VAL B 9 -0.435 6.639 30.161 1.00 0.29 H new ATOM 0 HB VAL B 9 0.318 9.543 30.828 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.012 8.617 33.021 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.723 8.347 32.734 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.433 7.009 32.526 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.611 8.624 31.100 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.024 7.017 30.609 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.013 8.363 29.445 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.554 7.150 31.331 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.924 7.394 31.868 1.00 0.36 C ATOM 1013 C ARG B 10 -3.939 7.167 33.382 1.00 0.31 C ATOM 1014 O ARG B 10 -3.077 6.507 33.926 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.817 6.373 31.161 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.279 6.626 31.538 1.00 0.74 C ATOM 1017 CD ARG B 10 -7.167 5.569 30.878 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.561 5.981 31.204 1.00 1.14 N ATOM 1019 CZ ARG B 10 -9.024 5.830 32.415 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.268 5.317 33.349 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.246 6.192 32.695 1.00 1.92 N ATOM 0 H ARG B 10 -2.130 6.268 31.619 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.263 8.415 31.694 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.690 6.449 30.081 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.527 5.362 31.445 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.398 6.591 32.621 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.581 7.623 31.216 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -7.007 5.536 29.800 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.949 4.573 31.264 1.00 0.87 H new ATOM 0 HE ARG B 10 -9.155 6.382 30.479 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.312 5.033 33.133 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.633 5.201 34.294 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.839 6.593 31.968 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.609 6.074 33.641 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.900 7.719 34.070 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.955 7.538 35.550 1.00 0.30 C ATOM 1037 C LYS B 11 -5.621 6.205 35.900 1.00 0.26 C ATOM 1038 O LYS B 11 -6.527 5.756 35.227 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.793 8.708 36.064 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.745 8.737 37.594 1.00 1.03 C ATOM 1041 CD LYS B 11 -6.512 9.958 38.106 1.00 1.03 C ATOM 1042 CE LYS B 11 -8.004 9.780 37.820 1.00 1.81 C ATOM 1043 NZ LYS B 11 -8.693 10.639 38.823 1.00 2.21 N ATOM 0 H LYS B 11 -5.649 8.287 33.673 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.961 7.521 35.998 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -5.413 9.646 35.660 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -6.824 8.608 35.724 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -6.181 7.824 37.999 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.710 8.775 37.935 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.348 10.081 39.177 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -6.143 10.862 37.621 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -8.250 10.085 36.803 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -8.304 8.737 37.921 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -9.722 10.570 38.691 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -8.445 10.321 39.782 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -8.393 11.627 38.698 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.186 5.574 36.958 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.803 4.276 37.361 1.00 0.22 C ATOM 1059 C VAL B 12 -7.110 4.536 38.113 1.00 0.20 C ATOM 1060 O VAL B 12 -7.147 5.304 39.052 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.788 3.616 38.295 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.113 2.129 38.434 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.374 3.779 37.734 1.00 0.29 C ATOM 0 H VAL B 12 -4.431 5.901 37.560 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.033 3.648 36.501 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.841 4.095 39.273 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.389 1.659 39.100 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.115 2.013 38.847 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.067 1.653 37.454 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.659 3.306 38.407 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.315 3.308 36.753 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.139 4.839 37.643 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.176 3.893 37.726 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.462 4.106 38.446 1.00 0.21 C ATOM 1075 C ASP B 13 -9.527 3.204 39.686 1.00 0.22 C ATOM 1076 O ASP B 13 -8.544 2.610 40.081 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.560 3.760 37.427 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.925 2.276 37.515 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.253 1.475 36.890 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.873 1.962 38.213 1.00 0.55 O ATOM 0 H ASP B 13 -8.213 3.234 36.948 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.576 5.128 38.808 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.444 4.370 37.615 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.217 3.997 36.420 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.635 3.206 40.372 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.710 2.474 41.671 1.00 0.26 C ATOM 1087 C GLU B 14 -10.301 1.002 41.517 1.00 0.26 C ATOM 1088 O GLU B 14 -9.717 0.423 42.411 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.175 2.577 42.095 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.346 1.978 43.492 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.827 1.990 43.876 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.626 2.425 43.062 1.00 1.99 O ATOM 1093 OE2 GLU B 14 -14.137 1.564 44.976 1.00 2.19 O ATOM 0 H GLU B 14 -11.493 3.682 40.092 1.00 0.23 H new ATOM 0 HA GLU B 14 -10.028 2.900 42.407 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.492 3.620 42.094 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.809 2.050 41.382 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.963 0.958 43.511 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -11.767 2.549 44.217 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.712 0.356 40.460 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.463 -1.114 40.355 1.00 0.25 C ATOM 1102 C LEU B 15 -9.069 -1.411 39.785 1.00 0.23 C ATOM 1103 O LEU B 15 -8.671 -2.554 39.682 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.543 -1.640 39.412 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.284 -3.121 39.126 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.024 -3.860 40.442 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.508 -3.727 38.435 1.00 1.39 C ATOM 0 H LEU B 15 -11.205 0.775 39.671 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.500 -1.589 41.335 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.528 -1.511 39.860 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.539 -1.072 38.482 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.413 -3.218 38.478 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.840 -4.915 40.237 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.153 -3.429 40.936 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.894 -3.763 41.092 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.325 -4.782 38.230 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.378 -3.629 39.084 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.693 -3.203 37.498 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.341 -0.413 39.373 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.003 -0.683 38.771 1.00 0.20 C ATOM 1121 C GLY B 16 -7.176 -1.114 37.311 1.00 0.21 C ATOM 1122 O GLY B 16 -6.628 -2.108 36.871 1.00 0.21 O ATOM 0 H GLY B 16 -8.609 0.570 39.425 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.381 0.210 38.826 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.490 -1.464 39.333 1.00 0.20 H new ATOM 1126 N ARG B 17 -7.970 -0.398 36.565 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.216 -0.791 35.150 1.00 0.27 C ATOM 1128 C ARG B 17 -7.660 0.279 34.207 1.00 0.26 C ATOM 1129 O ARG B 17 -7.530 1.432 34.567 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.737 -0.887 35.028 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.243 -2.045 35.891 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.758 -2.179 35.733 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.320 -0.978 36.407 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.586 -0.949 36.741 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.366 -1.954 36.447 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.073 0.087 37.369 1.00 1.14 N ATOM 0 H ARG B 17 -8.459 0.442 36.874 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.730 -1.730 34.885 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.198 0.048 35.347 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -10.020 -1.043 33.987 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.753 -2.973 35.596 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -9.990 -1.870 36.937 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.044 -2.213 34.682 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.124 -3.097 36.192 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.720 -0.178 36.609 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -13.990 -2.765 35.956 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.352 -1.928 36.709 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.467 0.875 37.600 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.059 0.109 37.629 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.325 -0.097 33.005 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.767 0.894 32.041 1.00 0.26 C ATOM 1152 C VAL B 18 -7.603 0.899 30.760 1.00 0.24 C ATOM 1153 O VAL B 18 -8.275 -0.062 30.446 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.346 0.412 31.753 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.576 0.279 33.066 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.402 -0.949 31.055 1.00 0.26 C ATOM 0 H VAL B 18 -7.413 -1.048 32.647 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.777 1.910 32.436 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.842 1.132 31.108 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.562 -0.065 32.860 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.536 1.248 33.564 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.079 -0.441 33.712 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.389 -1.294 30.849 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -5.906 -1.668 31.700 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -5.951 -0.855 30.118 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.629 1.998 30.060 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.498 2.085 28.853 1.00 0.22 C ATOM 1168 C VAL B 19 -7.650 2.146 27.583 1.00 0.22 C ATOM 1169 O VAL B 19 -6.725 2.927 27.481 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.286 3.383 29.030 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.363 3.480 27.950 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.943 3.395 30.412 1.00 0.24 C ATOM 0 H VAL B 19 -7.088 2.837 30.270 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.149 1.217 28.754 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.610 4.233 28.942 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.924 4.406 28.078 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.894 3.473 26.966 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.041 2.631 28.035 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.505 4.320 30.540 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.619 2.544 30.501 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.174 3.329 31.181 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.016 1.396 26.581 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.295 1.490 25.282 1.00 0.24 C ATOM 1184 C ILE B 20 -7.845 2.673 24.474 1.00 0.24 C ATOM 1185 O ILE B 20 -9.039 2.823 24.345 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.587 0.156 24.582 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.573 -0.891 25.050 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.481 0.319 23.064 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -6.776 -1.171 26.539 1.00 1.38 C ATOM 0 H ILE B 20 -8.782 0.723 26.606 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.224 1.657 25.396 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.598 -0.164 24.834 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.693 -1.810 24.477 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -5.558 -0.535 24.872 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.691 -0.635 22.580 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.202 1.063 22.727 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.474 0.645 22.802 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -6.053 -1.917 26.871 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -6.634 -0.250 27.105 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -7.786 -1.546 26.704 1.00 1.38 H new ATOM 1201 N PRO B 21 -6.952 3.444 23.919 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.364 4.588 23.068 1.00 0.30 C ATOM 1203 C PRO B 21 -8.221 4.093 21.899 1.00 0.28 C ATOM 1204 O PRO B 21 -8.004 3.023 21.370 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.045 5.181 22.566 1.00 0.35 C ATOM 1206 CG PRO B 21 -4.986 4.172 22.893 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.498 3.327 24.027 1.00 0.32 C ATOM 0 HA PRO B 21 -7.966 5.321 23.605 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.086 5.370 21.493 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -5.837 6.135 23.050 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.765 3.553 22.023 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.058 4.669 23.174 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.172 2.291 23.933 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.138 3.689 24.990 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.212 4.848 21.511 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.099 4.394 20.401 1.00 0.30 C ATOM 1217 C ILE B 22 -9.272 4.074 19.154 1.00 0.33 C ATOM 1218 O ILE B 22 -9.609 3.199 18.384 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.036 5.571 20.133 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.184 5.116 19.229 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.262 6.695 19.443 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.034 4.077 19.963 1.00 1.11 C ATOM 0 H ILE B 22 -9.446 5.756 21.912 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.646 3.487 20.659 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.439 5.934 21.079 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.799 5.971 18.947 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -11.788 4.691 18.307 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -10.931 7.534 19.252 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.445 7.022 20.086 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -9.858 6.332 18.498 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -13.851 3.754 19.318 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.415 3.218 20.222 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.442 4.518 20.872 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.184 4.763 18.956 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.339 4.474 17.764 1.00 0.40 C ATOM 1236 C GLU B 23 -6.871 3.018 17.801 1.00 0.37 C ATOM 1237 O GLU B 23 -6.784 2.353 16.787 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.148 5.424 17.887 1.00 0.44 C ATOM 1239 CG GLU B 23 -6.633 6.870 17.785 1.00 1.22 C ATOM 1240 CD GLU B 23 -5.433 7.818 17.842 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.344 7.345 18.121 1.00 2.00 O ATOM 1242 OE2 GLU B 23 -5.625 9.000 17.606 1.00 2.37 O ATOM 0 H GLU B 23 -7.844 5.509 19.563 1.00 0.36 H new ATOM 0 HA GLU B 23 -7.876 4.615 16.826 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -5.641 5.266 18.839 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.422 5.217 17.101 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -7.181 7.016 16.854 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -7.323 7.091 18.599 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.603 2.509 18.973 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.184 1.085 19.094 1.00 0.33 C ATOM 1251 C LEU B 24 -7.403 0.160 19.063 1.00 0.29 C ATOM 1252 O LEU B 24 -7.344 -0.933 18.540 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.466 0.993 20.440 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.213 1.867 20.410 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.427 1.681 21.710 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.336 1.459 19.225 1.00 1.75 C ATOM 0 H LEU B 24 -6.657 3.020 19.854 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.541 0.777 18.270 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.130 1.318 21.241 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.196 -0.042 20.650 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.504 2.913 20.307 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.533 2.305 21.687 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.050 1.970 22.556 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.137 0.635 21.813 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.442 2.082 19.203 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.047 0.413 19.329 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -3.893 1.591 18.298 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.530 0.612 19.548 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.753 -0.234 19.452 1.00 0.23 C ATOM 1270 C ARG B 25 -10.019 -0.569 17.984 1.00 0.26 C ATOM 1271 O ARG B 25 -10.364 -1.681 17.640 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.903 0.616 20.003 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.661 0.963 21.474 1.00 0.21 C ATOM 1274 CD ARG B 25 -11.924 1.621 22.042 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.475 2.362 23.252 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.210 3.323 23.744 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.349 3.632 23.184 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -11.806 3.975 24.801 1.00 0.27 N ATOM 0 H ARG B 25 -8.655 1.518 20.000 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.646 -1.167 20.006 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -10.998 1.531 19.419 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.843 0.074 19.902 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.418 0.063 22.039 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.810 1.637 21.567 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.377 2.295 21.315 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.676 0.874 22.296 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.591 2.119 23.698 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.667 3.122 22.360 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -13.920 4.383 23.571 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -10.918 3.733 25.241 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.379 4.726 25.187 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.898 0.402 17.121 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.186 0.160 15.679 1.00 0.33 C ATOM 1294 C ARG B 26 -9.077 -0.684 15.042 1.00 0.35 C ATOM 1295 O ARG B 26 -9.337 -1.657 14.362 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.225 1.552 15.048 1.00 0.37 C ATOM 1297 CG ARG B 26 -10.613 1.434 13.573 1.00 1.07 C ATOM 1298 CD ARG B 26 -12.093 1.064 13.461 1.00 1.25 C ATOM 1299 NE ARG B 26 -12.341 0.905 12.001 1.00 1.86 N ATOM 1300 CZ ARG B 26 -13.493 0.460 11.575 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -14.434 0.152 12.427 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -13.704 0.322 10.294 1.00 3.27 N ATOM 0 H ARG B 26 -9.612 1.353 17.352 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.118 -0.386 15.533 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -10.943 2.181 15.574 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -9.251 2.032 15.141 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -10.423 2.377 13.060 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -10.000 0.676 13.085 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -12.312 0.143 14.001 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -12.728 1.841 13.887 1.00 1.25 H new ATOM 0 HE ARG B 26 -11.609 1.144 11.332 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -14.270 0.259 13.428 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -15.332 -0.195 12.091 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -12.970 0.561 9.628 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -14.603 -0.025 9.960 1.00 3.27 H new ATOM 1316 N THR B 27 -7.846 -0.292 15.219 1.00 0.37 N ATOM 1317 CA THR B 27 -6.720 -1.036 14.580 1.00 0.41 C ATOM 1318 C THR B 27 -6.637 -2.469 15.118 1.00 0.39 C ATOM 1319 O THR B 27 -6.190 -3.369 14.436 1.00 0.42 O ATOM 1320 CB THR B 27 -5.463 -0.248 14.951 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.621 1.104 14.547 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.251 -0.857 14.243 1.00 0.77 C ATOM 0 H THR B 27 -7.569 0.514 15.780 1.00 0.37 H new ATOM 0 HA THR B 27 -6.849 -1.119 13.501 1.00 0.41 H new ATOM 0 HB THR B 27 -5.309 -0.290 16.029 1.00 0.44 H new ATOM 0 HG1 THR B 27 -5.997 1.625 15.287 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.355 -0.295 14.507 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.133 -1.895 14.552 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.401 -0.815 13.164 1.00 0.77 H new ATOM 1330 N LEU B 28 -7.001 -2.678 16.353 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.871 -4.042 16.942 1.00 0.35 C ATOM 1332 C LEU B 28 -8.122 -4.881 16.646 1.00 0.33 C ATOM 1333 O LEU B 28 -8.172 -6.057 16.947 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.716 -3.812 18.444 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.330 -5.126 19.125 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.893 -5.494 18.748 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.430 -4.962 20.643 1.00 1.05 C ATOM 0 H LEU B 28 -7.381 -1.967 16.978 1.00 0.35 H new ATOM 0 HA LEU B 28 -6.026 -4.589 16.524 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.953 -3.056 18.630 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.648 -3.433 18.863 1.00 0.33 H new ATOM 0 HG LEU B 28 -7.006 -5.916 18.798 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.618 -6.430 19.233 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.819 -5.610 17.667 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.217 -4.704 19.075 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -6.155 -5.898 21.129 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.754 -4.172 20.969 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.453 -4.699 20.914 1.00 1.05 H new ATOM 1349 N GLY B 29 -9.123 -4.295 16.049 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.351 -5.076 15.724 1.00 0.32 C ATOM 1351 C GLY B 29 -11.029 -5.526 17.019 1.00 0.29 C ATOM 1352 O GLY B 29 -11.436 -6.664 17.154 1.00 0.29 O ATOM 0 H GLY B 29 -9.145 -3.313 15.773 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -11.037 -4.467 15.135 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -10.093 -5.943 15.116 1.00 0.32 H new ATOM 1356 N ILE B 30 -11.120 -4.657 17.986 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.735 -5.054 19.286 1.00 0.24 C ATOM 1358 C ILE B 30 -13.021 -4.265 19.540 1.00 0.23 C ATOM 1359 O ILE B 30 -13.110 -3.087 19.255 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.687 -4.725 20.346 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.398 -5.490 20.040 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.208 -5.137 21.724 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.725 -6.968 19.811 1.00 0.30 C ATOM 0 H ILE B 30 -10.797 -3.691 17.934 1.00 0.27 H new ATOM 0 HA ILE B 30 -12.008 -6.109 19.298 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.486 -3.654 20.339 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.915 -5.072 19.157 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.695 -5.386 20.867 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.460 -4.902 22.481 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -12.128 -4.594 21.942 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.408 -6.208 21.732 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.807 -7.514 19.593 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.189 -7.381 20.707 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.412 -7.063 18.970 1.00 0.30 H new ATOM 1375 N ALA B 31 -14.024 -4.924 20.043 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.327 -4.248 20.293 1.00 0.23 C ATOM 1377 C ALA B 31 -15.929 -4.742 21.612 1.00 0.20 C ATOM 1378 O ALA B 31 -15.479 -5.712 22.186 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.215 -4.657 19.119 1.00 0.23 C ATOM 0 H ALA B 31 -13.998 -5.912 20.295 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.224 -3.166 20.371 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.198 -4.198 19.229 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.761 -4.323 18.186 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.321 -5.742 19.103 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.938 -4.077 22.099 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.558 -4.503 23.386 1.00 0.21 C ATOM 1387 C GLU B 32 -17.931 -5.990 23.335 1.00 0.19 C ATOM 1388 O GLU B 32 -18.243 -6.524 22.290 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.812 -3.640 23.523 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.432 -3.853 24.906 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.744 -3.075 25.003 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -21.111 -2.446 24.024 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.361 -3.121 26.055 1.00 1.13 O ATOM 0 H GLU B 32 -17.361 -3.258 21.663 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.880 -4.378 24.230 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.559 -2.589 23.384 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.532 -3.900 22.747 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.613 -4.914 25.075 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.741 -3.520 25.681 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.918 -6.644 24.473 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.297 -8.093 24.556 1.00 0.20 C ATOM 1402 C LYS B 33 -17.299 -9.002 23.823 1.00 0.18 C ATOM 1403 O LYS B 33 -17.370 -10.210 23.933 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.689 -8.196 23.928 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.723 -7.585 24.875 1.00 0.29 C ATOM 1406 CD LYS B 33 -22.123 -7.785 24.295 1.00 0.86 C ATOM 1407 CE LYS B 33 -23.152 -7.089 25.189 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.271 -5.711 24.637 1.00 1.88 N ATOM 0 H LYS B 33 -17.655 -6.226 25.366 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.289 -8.430 25.592 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -19.706 -7.677 22.970 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.934 -9.239 23.730 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -20.654 -8.053 25.857 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.523 -6.522 25.013 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.171 -7.379 23.284 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -22.349 -8.849 24.223 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -24.110 -7.608 25.166 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -22.824 -7.071 26.228 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -23.960 -5.171 25.198 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -22.345 -5.239 24.678 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -23.591 -5.759 23.649 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.302 -8.451 23.190 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.242 -9.317 22.596 1.00 0.16 C ATOM 1424 C ASP B 34 -14.319 -9.840 23.698 1.00 0.19 C ATOM 1425 O ASP B 34 -14.399 -9.417 24.834 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.477 -8.418 21.630 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.333 -8.167 20.390 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.382 -8.780 20.281 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.924 -7.364 19.570 1.00 1.09 O ATOM 0 H ASP B 34 -16.174 -7.448 23.058 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.656 -10.187 22.086 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.230 -7.473 22.113 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.535 -8.887 21.347 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.505 -10.814 23.394 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.652 -11.424 24.455 1.00 0.28 C ATOM 1436 C ALA B 35 -11.204 -10.933 24.339 1.00 0.20 C ATOM 1437 O ALA B 35 -10.580 -11.045 23.302 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.728 -12.929 24.201 1.00 0.36 C ATOM 0 H ALA B 35 -13.393 -11.213 22.462 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.991 -11.156 25.456 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.125 -13.454 24.942 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.764 -13.259 24.277 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.349 -13.149 23.203 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.639 -10.482 25.425 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.200 -10.089 25.420 1.00 0.21 C ATOM 1446 C LEU B 36 -8.386 -11.120 26.204 1.00 0.19 C ATOM 1447 O LEU B 36 -8.764 -11.510 27.288 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.153 -8.744 26.143 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.218 -7.807 25.578 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.444 -6.667 26.570 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.740 -7.237 24.240 1.00 0.56 C ATOM 0 H LEU B 36 -11.114 -10.368 26.320 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.790 -10.031 24.412 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.316 -8.890 27.211 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.166 -8.296 26.030 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.149 -8.352 25.421 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.203 -5.989 26.179 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.779 -7.075 27.524 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.512 -6.122 26.716 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.500 -6.568 23.837 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.813 -6.684 24.391 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.566 -8.053 23.538 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.216 -11.460 25.743 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.338 -12.343 26.561 1.00 0.20 C ATOM 1465 C GLU B 37 -5.205 -11.521 27.179 1.00 0.18 C ATOM 1466 O GLU B 37 -4.724 -10.570 26.596 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.794 -13.390 25.591 1.00 0.24 C ATOM 1468 CG GLU B 37 -4.953 -14.413 26.360 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.326 -15.402 25.377 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.538 -15.241 24.187 1.00 1.07 O ATOM 1471 OE2 GLU B 37 -3.643 -16.305 25.832 1.00 1.17 O ATOM 0 H GLU B 37 -6.832 -11.169 24.844 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.874 -12.813 27.386 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.617 -13.890 25.081 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.188 -12.909 24.823 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.173 -13.905 26.928 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.576 -14.945 27.079 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.872 -11.803 28.408 1.00 0.20 N ATOM 1479 CA ILE B 38 -3.884 -10.957 29.131 1.00 0.20 C ATOM 1480 C ILE B 38 -2.587 -11.733 29.367 1.00 0.19 C ATOM 1481 O ILE B 38 -2.602 -12.887 29.761 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.554 -10.618 30.462 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -5.892 -9.922 30.196 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.648 -9.686 31.269 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.623 -9.697 31.521 1.00 0.84 C ATOM 0 H ILE B 38 -5.244 -12.587 28.944 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.618 -10.063 28.567 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.725 -11.535 31.026 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.725 -8.969 29.694 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.504 -10.530 29.530 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.127 -9.445 32.218 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.695 -10.180 31.459 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.476 -8.769 30.706 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.575 -9.202 31.332 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.803 -10.657 32.005 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.012 -9.072 32.172 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.477 -11.104 29.096 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.155 -11.772 29.254 1.00 0.20 C ATOM 1499 C TYR B 39 0.657 -11.082 30.351 1.00 0.20 C ATOM 1500 O TYR B 39 0.468 -9.915 30.628 1.00 0.19 O ATOM 1501 CB TYR B 39 0.531 -11.569 27.907 1.00 0.23 C ATOM 1502 CG TYR B 39 0.023 -12.566 26.903 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.339 -12.618 26.587 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.922 -13.432 26.277 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.801 -13.540 25.642 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.462 -14.355 25.333 1.00 0.36 C ATOM 1507 CZ TYR B 39 -0.900 -14.409 25.014 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.352 -15.319 24.081 1.00 0.45 O ATOM 0 H TYR B 39 -1.430 -10.140 28.766 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.250 -12.822 29.530 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.348 -10.556 27.548 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.610 -11.676 28.021 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -2.033 -11.947 27.072 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.973 -13.389 26.522 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.852 -13.582 25.397 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.157 -15.026 24.850 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.596 -15.843 23.743 1.00 0.45 H new ATOM 1518 N VAL B 40 1.643 -11.747 30.887 1.00 0.21 N ATOM 1519 CA VAL B 40 2.550 -11.065 31.855 1.00 0.21 C ATOM 1520 C VAL B 40 4.016 -11.360 31.523 1.00 0.21 C ATOM 1521 O VAL B 40 4.444 -12.497 31.512 1.00 0.23 O ATOM 1522 CB VAL B 40 2.181 -11.643 33.219 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.130 -11.084 34.281 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.744 -11.248 33.564 1.00 0.26 C ATOM 0 H VAL B 40 1.860 -12.726 30.699 1.00 0.21 H new ATOM 0 HA VAL B 40 2.437 -9.981 31.826 1.00 0.21 H new ATOM 0 HB VAL B 40 2.265 -12.729 33.191 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.868 -11.496 35.256 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.155 -11.360 34.034 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.044 -9.998 34.311 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.477 -11.659 34.538 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.663 -10.161 33.594 1.00 0.26 H new ATOM 0 HG23 VAL B 40 0.067 -11.641 32.806 1.00 0.26 H new ATOM 1534 N ASP B 41 4.801 -10.337 31.315 1.00 0.21 N ATOM 1535 CA ASP B 41 6.254 -10.552 31.054 1.00 0.21 C ATOM 1536 C ASP B 41 7.071 -9.383 31.615 1.00 0.24 C ATOM 1537 O ASP B 41 6.711 -8.234 31.457 1.00 0.26 O ATOM 1538 CB ASP B 41 6.382 -10.609 29.530 1.00 0.19 C ATOM 1539 CG ASP B 41 6.227 -9.202 28.949 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.453 -8.436 29.500 1.00 1.77 O ATOM 1541 OD2 ASP B 41 6.888 -8.912 27.966 1.00 1.68 O ATOM 0 H ASP B 41 4.499 -9.363 31.314 1.00 0.21 H new ATOM 0 HA ASP B 41 6.627 -11.460 31.529 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.351 -11.024 29.252 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.621 -11.270 29.116 1.00 0.19 H new ATOM 1546 N ASP B 42 8.216 -9.659 32.173 1.00 0.27 N ATOM 1547 CA ASP B 42 9.111 -8.555 32.630 1.00 0.32 C ATOM 1548 C ASP B 42 8.313 -7.463 33.355 1.00 0.32 C ATOM 1549 O ASP B 42 8.515 -6.286 33.130 1.00 0.37 O ATOM 1550 CB ASP B 42 9.731 -8.003 31.348 1.00 0.37 C ATOM 1551 CG ASP B 42 10.632 -6.814 31.684 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.828 -6.558 32.861 1.00 1.14 O ATOM 1553 OD2 ASP B 42 11.110 -6.179 30.759 1.00 1.21 O ATOM 0 H ASP B 42 8.573 -10.601 32.333 1.00 0.27 H new ATOM 0 HA ASP B 42 9.862 -8.906 33.338 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.309 -8.780 30.848 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.947 -7.694 30.657 1.00 0.37 H new ATOM 1558 N GLU B 43 7.466 -7.839 34.276 1.00 0.29 N ATOM 1559 CA GLU B 43 6.722 -6.820 35.079 1.00 0.30 C ATOM 1560 C GLU B 43 5.898 -5.908 34.165 1.00 0.29 C ATOM 1561 O GLU B 43 5.357 -4.908 34.595 1.00 0.30 O ATOM 1562 CB GLU B 43 7.802 -6.017 35.807 1.00 0.34 C ATOM 1563 CG GLU B 43 8.601 -6.949 36.720 1.00 1.17 C ATOM 1564 CD GLU B 43 9.632 -6.134 37.504 1.00 1.34 C ATOM 1565 OE1 GLU B 43 9.797 -4.966 37.192 1.00 1.68 O ATOM 1566 OE2 GLU B 43 10.238 -6.693 38.404 1.00 1.92 O ATOM 0 H GLU B 43 7.256 -8.810 34.509 1.00 0.29 H new ATOM 0 HA GLU B 43 6.020 -7.283 35.773 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.465 -5.541 35.085 1.00 0.34 H new ATOM 0 HB3 GLU B 43 7.345 -5.220 36.393 1.00 0.34 H new ATOM 0 HG2 GLU B 43 7.931 -7.465 37.407 1.00 1.17 H new ATOM 0 HG3 GLU B 43 9.101 -7.715 36.128 1.00 1.17 H new ATOM 1573 N LYS B 44 5.729 -6.289 32.930 1.00 0.29 N ATOM 1574 CA LYS B 44 4.861 -5.495 32.015 1.00 0.30 C ATOM 1575 C LYS B 44 3.633 -6.315 31.616 1.00 0.27 C ATOM 1576 O LYS B 44 3.690 -7.524 31.518 1.00 0.26 O ATOM 1577 CB LYS B 44 5.725 -5.203 30.788 1.00 0.34 C ATOM 1578 CG LYS B 44 6.848 -4.235 31.166 1.00 1.29 C ATOM 1579 CD LYS B 44 7.617 -3.841 29.904 1.00 1.23 C ATOM 1580 CE LYS B 44 8.747 -2.878 30.272 1.00 1.90 C ATOM 1581 NZ LYS B 44 9.995 -3.681 30.140 1.00 2.00 N ATOM 0 H LYS B 44 6.155 -7.117 32.514 1.00 0.29 H new ATOM 0 HA LYS B 44 4.501 -4.579 32.484 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.146 -6.130 30.399 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.113 -4.773 29.995 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.434 -3.348 31.646 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.521 -4.702 31.885 1.00 1.29 H new ATOM 0 HD2 LYS B 44 8.025 -4.730 29.422 1.00 1.23 H new ATOM 0 HD3 LYS B 44 6.944 -3.371 29.187 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.761 -2.014 29.608 1.00 1.90 H new ATOM 0 HE3 LYS B 44 8.627 -2.498 31.287 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 10.749 -3.246 30.709 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 9.822 -4.650 30.477 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 10.286 -3.708 29.142 1.00 2.00 H new ATOM 1595 N ILE B 45 2.525 -5.670 31.386 1.00 0.28 N ATOM 1596 CA ILE B 45 1.298 -6.420 30.995 1.00 0.26 C ATOM 1597 C ILE B 45 1.098 -6.350 29.479 1.00 0.26 C ATOM 1598 O ILE B 45 1.068 -5.283 28.900 1.00 0.29 O ATOM 1599 CB ILE B 45 0.159 -5.701 31.716 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.460 -5.647 33.215 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.150 -6.459 31.486 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.501 -4.668 33.892 1.00 1.24 C ATOM 0 H ILE B 45 2.415 -4.658 31.451 1.00 0.28 H new ATOM 0 HA ILE B 45 1.353 -7.476 31.260 1.00 0.26 H new ATOM 0 HB ILE B 45 0.065 -4.687 31.327 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.355 -6.639 33.654 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.491 -5.334 33.379 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.963 -5.946 32.000 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.364 -6.499 30.418 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -1.057 -7.473 31.875 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.288 -4.629 34.960 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.374 -3.676 33.460 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.527 -5.001 33.739 1.00 1.24 H new ATOM 1614 N ILE B 46 0.932 -7.476 28.840 1.00 0.26 N ATOM 1615 CA ILE B 46 0.699 -7.473 27.366 1.00 0.29 C ATOM 1616 C ILE B 46 -0.727 -7.934 27.055 1.00 0.28 C ATOM 1617 O ILE B 46 -1.106 -9.050 27.344 1.00 0.31 O ATOM 1618 CB ILE B 46 1.723 -8.464 26.810 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.127 -7.882 26.965 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.436 -8.734 25.330 1.00 0.37 C ATOM 1621 CD1 ILE B 46 4.143 -9.022 27.027 1.00 0.50 C ATOM 0 H ILE B 46 0.948 -8.399 29.274 1.00 0.26 H new ATOM 0 HA ILE B 46 0.810 -6.481 26.927 1.00 0.29 H new ATOM 0 HB ILE B 46 1.655 -9.402 27.361 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.354 -7.222 26.127 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.185 -7.278 27.871 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.169 -9.440 24.940 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.436 -9.153 25.224 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.499 -7.800 24.771 1.00 0.37 H new ATOM 0 HD11 ILE B 46 5.146 -8.610 27.138 1.00 0.50 H new ATOM 0 HD12 ILE B 46 3.918 -9.664 27.879 1.00 0.50 H new ATOM 0 HD13 ILE B 46 4.090 -9.607 26.109 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.514 -7.087 26.452 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.908 -7.486 26.102 1.00 0.29 C ATOM 1635 C LEU B 47 -3.031 -7.687 24.591 1.00 0.31 C ATOM 1636 O LEU B 47 -2.537 -6.898 23.810 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.787 -6.322 26.556 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.576 -6.070 28.049 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -2.282 -5.282 28.258 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.755 -5.265 28.599 1.00 1.23 C ATOM 0 H LEU B 47 -1.254 -6.137 26.186 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.199 -8.423 26.578 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.542 -5.425 25.988 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.835 -6.547 26.360 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.508 -7.024 28.572 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -2.133 -5.103 29.323 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.441 -5.853 27.865 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.349 -4.328 27.736 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.607 -5.084 29.664 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.821 -4.312 28.075 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.678 -5.825 28.451 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.674 -8.742 24.178 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.818 -9.008 22.719 1.00 0.34 C ATOM 1654 C LYS B 48 -5.203 -9.589 22.423 1.00 0.27 C ATOM 1655 O LYS B 48 -5.870 -10.098 23.301 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.727 -10.028 22.394 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.954 -11.299 23.214 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.860 -12.319 22.887 1.00 0.85 C ATOM 1659 CE LYS B 48 -0.520 -11.827 23.439 1.00 1.54 C ATOM 1660 NZ LYS B 48 0.504 -12.687 22.783 1.00 1.74 N ATOM 0 H LYS B 48 -4.108 -9.434 24.789 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.720 -8.102 22.121 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.739 -10.263 21.330 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.745 -9.610 22.617 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.942 -11.065 24.279 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.935 -11.718 22.991 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -2.110 -13.287 23.320 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.791 -12.461 21.808 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -0.360 -10.774 23.206 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -0.480 -11.923 24.524 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 1.425 -12.204 22.800 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 0.577 -13.590 23.293 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 0.226 -12.868 21.797 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.610 -9.587 21.183 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.914 -10.217 20.836 1.00 0.25 C ATOM 1676 C LYS B 49 -6.928 -11.670 21.309 1.00 0.22 C ATOM 1677 O LYS B 49 -5.898 -12.307 21.410 1.00 0.24 O ATOM 1678 CB LYS B 49 -7.003 -10.149 19.312 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.361 -10.687 18.856 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.428 -10.677 17.328 1.00 0.54 C ATOM 1681 CE LYS B 49 -9.839 -11.062 16.875 1.00 1.08 C ATOM 1682 NZ LYS B 49 -10.651 -9.828 17.060 1.00 1.65 N ATOM 0 H LYS B 49 -5.099 -9.179 20.400 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.756 -9.713 21.310 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.876 -9.120 18.975 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.199 -10.733 18.864 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.507 -11.700 19.230 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.163 -10.076 19.270 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.170 -9.688 16.949 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.699 -11.376 16.917 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -9.845 -11.387 15.834 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.233 -11.887 17.468 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -11.508 -10.055 17.604 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -10.092 -9.118 17.575 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -10.922 -9.448 16.131 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.070 -12.170 21.686 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.120 -13.547 22.251 1.00 0.22 C ATOM 1698 C TYR B 50 -8.595 -14.547 21.193 1.00 0.25 C ATOM 1699 O TYR B 50 -9.687 -14.440 20.669 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.126 -13.467 23.403 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.236 -14.814 24.085 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.249 -15.787 23.882 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.325 -15.086 24.921 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.352 -17.032 24.512 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.427 -16.331 25.553 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.442 -17.304 25.348 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.543 -18.532 25.971 1.00 0.65 O ATOM 0 H TYR B 50 -8.967 -11.688 21.628 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.140 -13.887 22.585 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.810 -12.711 24.121 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.101 -13.160 23.025 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.408 -15.576 23.239 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.086 -14.336 25.078 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.592 -17.782 24.354 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.266 -16.541 26.199 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.357 -18.556 26.516 1.00 0.65 H new