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+ -175:sc= 0 (180deg=-0.0149) USER MOD Single : A 27 THR OG1 : rot 91:sc= 0.678 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -4.22! USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= 1.18 (180deg=0.259) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 0.12 (180deg=-1.15!) 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+ -175:sc= 0 (180deg=-0.0146) USER MOD Single : B 27 THR OG1 : rot 91:sc= 0.657 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 150:sc= -4.18! USER MOD Single : B 44 LYS NZ :NH3+ -161:sc= 1.18 (180deg=0.287) USER MOD Single : B 48 LYS NZ :NH3+ 152:sc= 0.165 (180deg=-1.08!) 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 -4.777 -15.477 30.861 1.00 0.37 N ATOM 93 CA ILE A 8 -6.100 -15.131 31.466 1.00 0.37 C ATOM 94 C ILE A 8 -6.853 -14.158 30.560 1.00 0.32 C ATOM 95 O ILE A 8 -6.285 -13.234 30.029 1.00 0.30 O ATOM 96 CB ILE A 8 -5.772 -14.468 32.800 1.00 0.40 C ATOM 97 CG1 ILE A 8 -4.872 -15.395 33.623 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.066 -14.201 33.570 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.443 -14.682 34.907 1.00 1.36 C ATOM 0 HA ILE A 8 -6.734 -16.008 31.594 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.256 -13.525 32.619 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.404 -16.315 33.866 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -3.995 -15.678 33.041 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -6.831 -13.727 34.523 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -7.708 -13.542 32.986 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.583 -15.143 33.751 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -3.803 -15.341 35.493 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -3.895 -13.775 34.654 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.326 -14.421 35.491 1.00 1.36 H new ATOM 111 N VAL A 9 -8.111 -14.394 30.327 1.00 0.32 N ATOM 112 CA VAL A 9 -8.869 -13.517 29.387 1.00 0.29 C ATOM 113 C VAL A 9 -10.050 -12.848 30.099 1.00 0.32 C ATOM 114 O VAL A 9 -10.705 -13.441 30.933 1.00 0.37 O ATOM 115 CB VAL A 9 -9.361 -14.445 28.277 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.213 -13.650 27.285 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.156 -15.044 27.543 1.00 0.30 C ATOM 0 H VAL A 9 -8.649 -15.154 30.744 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.248 -12.711 28.996 1.00 0.29 H new ATOM 0 HB VAL A 9 -9.960 -15.245 28.712 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.563 -14.313 26.494 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.070 -13.220 27.804 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.614 -12.850 26.850 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.505 -15.706 26.751 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.559 -14.242 27.109 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.546 -15.610 28.247 1.00 0.30 H new ATOM 127 N ARG A 10 -10.347 -11.628 29.738 1.00 0.31 N ATOM 128 CA ARG A 10 -11.509 -10.922 30.350 1.00 0.36 C ATOM 129 C ARG A 10 -12.376 -10.305 29.249 1.00 0.31 C ATOM 130 O ARG A 10 -11.946 -10.153 28.126 1.00 0.27 O ATOM 131 CB ARG A 10 -10.896 -9.832 31.231 1.00 0.40 C ATOM 132 CG ARG A 10 -12.004 -9.131 32.018 1.00 0.73 C ATOM 133 CD ARG A 10 -11.398 -8.009 32.865 1.00 0.86 C ATOM 134 NE ARG A 10 -12.530 -7.494 33.685 1.00 1.13 N ATOM 135 CZ ARG A 10 -13.009 -8.212 34.665 1.00 1.36 C ATOM 136 NH1 ARG A 10 -12.499 -9.384 34.932 1.00 1.61 N ATOM 137 NH2 ARG A 10 -14.001 -7.756 35.381 1.00 1.91 N ATOM 0 H ARG A 10 -9.832 -11.088 29.042 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.148 -11.591 30.927 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.169 -10.269 31.916 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.360 -9.110 30.615 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -12.748 -8.723 31.334 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.519 -9.847 32.659 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -10.591 -8.382 33.496 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -10.976 -7.224 32.237 1.00 0.86 H new ATOM 0 HE ARG A 10 -12.932 -6.579 33.481 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -11.724 -9.742 34.374 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -12.876 -9.942 35.698 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -14.400 -6.840 35.174 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -14.377 -8.315 36.147 1.00 1.91 H new ATOM 151 N LYS A 11 -13.603 -9.981 29.551 1.00 0.32 N ATOM 152 CA LYS A 11 -14.498 -9.411 28.501 1.00 0.29 C ATOM 153 C LYS A 11 -14.298 -7.896 28.396 1.00 0.26 C ATOM 154 O LYS A 11 -14.008 -7.228 29.369 1.00 0.27 O ATOM 155 CB LYS A 11 -15.917 -9.735 28.970 1.00 0.33 C ATOM 156 CG LYS A 11 -16.116 -11.252 28.986 1.00 1.02 C ATOM 157 CD LYS A 11 -17.570 -11.572 29.339 1.00 1.03 C ATOM 158 CE LYS A 11 -17.741 -13.087 29.474 1.00 1.81 C ATOM 159 NZ LYS A 11 -17.929 -13.579 28.081 1.00 2.21 N ATOM 0 H LYS A 11 -14.024 -10.085 30.474 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.291 -9.825 27.514 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.085 -9.325 29.966 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.646 -9.269 28.307 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -15.866 -11.673 28.012 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -15.445 -11.710 29.713 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -17.846 -11.080 30.272 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.236 -11.188 28.567 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -16.867 -13.543 29.939 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -18.600 -13.333 30.099 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -18.137 -14.598 28.098 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -18.721 -13.071 27.637 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -17.060 -13.412 27.534 1.00 2.21 H new ATOM 173 N VAL A 12 -14.459 -7.348 27.220 1.00 0.22 N ATOM 174 CA VAL A 12 -14.286 -5.876 27.051 1.00 0.21 C ATOM 175 C VAL A 12 -15.574 -5.154 27.445 1.00 0.20 C ATOM 176 O VAL A 12 -16.645 -5.494 26.987 1.00 0.20 O ATOM 177 CB VAL A 12 -14.010 -5.670 25.560 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.421 -4.276 25.338 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.023 -6.727 25.061 1.00 0.28 C ATOM 0 H VAL A 12 -14.703 -7.856 26.370 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.482 -5.484 27.674 1.00 0.21 H new ATOM 0 HB VAL A 12 -14.944 -5.764 25.007 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.224 -4.129 24.276 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.129 -3.523 25.684 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.489 -4.182 25.896 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.832 -6.574 23.999 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.088 -6.641 25.614 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.445 -7.720 25.214 1.00 0.28 H new ATOM 189 N ASP A 13 -15.484 -4.154 28.277 1.00 0.20 N ATOM 190 CA ASP A 13 -16.716 -3.418 28.677 1.00 0.21 C ATOM 191 C ASP A 13 -17.054 -2.352 27.624 1.00 0.22 C ATOM 192 O ASP A 13 -16.477 -2.320 26.555 1.00 0.22 O ATOM 193 CB ASP A 13 -16.393 -2.796 30.042 1.00 0.21 C ATOM 194 CG ASP A 13 -15.790 -1.401 29.868 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.595 -1.311 29.653 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.537 -0.443 29.952 1.00 0.55 O ATOM 0 H ASP A 13 -14.617 -3.816 28.695 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.590 -4.065 28.746 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.300 -2.734 30.643 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.695 -3.435 30.583 1.00 0.21 H new ATOM 201 N GLU A 14 -18.061 -1.563 27.869 1.00 0.23 N ATOM 202 CA GLU A 14 -18.531 -0.605 26.825 1.00 0.26 C ATOM 203 C GLU A 14 -17.393 0.301 26.333 1.00 0.26 C ATOM 204 O GLU A 14 -17.350 0.673 25.177 1.00 0.29 O ATOM 205 CB GLU A 14 -19.613 0.226 27.514 1.00 0.28 C ATOM 206 CG GLU A 14 -20.275 1.153 26.492 1.00 1.22 C ATOM 207 CD GLU A 14 -21.287 2.055 27.199 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.408 1.942 28.409 1.00 1.99 O ATOM 209 OE2 GLU A 14 -21.925 2.843 26.521 1.00 2.19 O ATOM 0 H GLU A 14 -18.581 -1.538 28.746 1.00 0.23 H new ATOM 0 HA GLU A 14 -18.901 -1.128 25.943 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -20.359 -0.430 27.963 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.176 0.812 28.323 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -19.519 1.759 25.992 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.773 0.565 25.721 1.00 1.22 H new ATOM 216 N LEU A 15 -16.549 0.760 27.215 1.00 0.23 N ATOM 217 CA LEU A 15 -15.518 1.758 26.796 1.00 0.24 C ATOM 218 C LEU A 15 -14.295 1.076 26.174 1.00 0.22 C ATOM 219 O LEU A 15 -13.387 1.733 25.703 1.00 0.24 O ATOM 220 CB LEU A 15 -15.125 2.490 28.078 1.00 0.28 C ATOM 221 CG LEU A 15 -13.972 3.451 27.777 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.299 4.270 26.526 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.776 4.397 28.964 1.00 1.38 C ATOM 0 H LEU A 15 -16.526 0.492 28.199 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.908 2.434 26.035 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -15.979 3.040 28.473 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.826 1.773 28.843 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.059 2.879 27.608 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.477 4.954 26.313 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.441 3.599 25.679 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.212 4.841 26.694 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -12.955 5.082 28.752 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.690 4.967 29.130 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.543 3.817 29.857 1.00 1.38 H new ATOM 235 N GLY A 16 -14.229 -0.227 26.199 1.00 0.21 N ATOM 236 CA GLY A 16 -13.025 -0.906 25.641 1.00 0.19 C ATOM 237 C GLY A 16 -11.893 -0.878 26.673 1.00 0.20 C ATOM 238 O GLY A 16 -10.772 -0.510 26.373 1.00 0.20 O ATOM 0 H GLY A 16 -14.947 -0.845 26.577 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.265 -1.936 25.378 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.707 -0.409 24.724 1.00 0.19 H new ATOM 242 N ARG A 17 -12.187 -1.207 27.900 1.00 0.24 N ATOM 243 CA ARG A 17 -11.140 -1.144 28.957 1.00 0.26 C ATOM 244 C ARG A 17 -10.836 -2.551 29.480 1.00 0.26 C ATOM 245 O ARG A 17 -11.659 -3.442 29.408 1.00 0.26 O ATOM 246 CB ARG A 17 -11.747 -0.274 30.059 1.00 0.28 C ATOM 247 CG ARG A 17 -11.903 1.158 29.544 1.00 0.28 C ATOM 248 CD ARG A 17 -12.452 2.048 30.660 1.00 0.29 C ATOM 249 NE ARG A 17 -13.860 1.604 30.848 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.705 2.367 31.492 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.305 3.499 32.009 1.00 0.73 N ATOM 252 NH2 ARG A 17 -15.950 2.001 31.621 1.00 1.15 N ATOM 0 H ARG A 17 -13.106 -1.516 28.216 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.199 -0.735 28.589 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.716 -0.672 30.360 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.108 -0.288 30.942 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -10.941 1.539 29.202 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.576 1.176 28.687 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.875 1.931 31.578 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.404 3.102 30.385 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.166 0.705 30.475 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.332 3.789 31.911 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -14.966 4.092 32.511 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.266 1.118 31.219 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.607 2.597 32.124 1.00 1.15 H new ATOM 266 N VAL A 18 -9.660 -2.754 30.002 1.00 0.26 N ATOM 267 CA VAL A 18 -9.299 -4.102 30.528 1.00 0.25 C ATOM 268 C VAL A 18 -8.878 -3.992 31.993 1.00 0.24 C ATOM 269 O VAL A 18 -8.470 -2.943 32.450 1.00 0.24 O ATOM 270 CB VAL A 18 -8.124 -4.563 29.665 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.531 -4.534 28.191 1.00 0.28 C ATOM 272 CG2 VAL A 18 -6.935 -3.626 29.884 1.00 0.26 C ATOM 0 H VAL A 18 -8.931 -2.045 30.088 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.133 -4.803 30.485 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.844 -5.579 29.944 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.693 -4.863 27.576 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.379 -5.200 28.035 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.811 -3.518 27.911 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.096 -3.953 29.270 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.216 -2.611 29.604 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.645 -3.646 30.934 1.00 0.26 H new ATOM 282 N VAL A 19 -9.054 -5.036 32.753 1.00 0.22 N ATOM 283 CA VAL A 19 -8.755 -4.949 34.209 1.00 0.21 C ATOM 284 C VAL A 19 -7.539 -5.806 34.563 1.00 0.22 C ATOM 285 O VAL A 19 -7.475 -6.974 34.236 1.00 0.23 O ATOM 286 CB VAL A 19 -10.006 -5.492 34.899 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.875 -5.311 36.412 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.234 -4.731 34.397 1.00 0.24 C ATOM 0 H VAL A 19 -9.391 -5.943 32.430 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.521 -3.930 34.517 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.117 -6.552 34.670 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.767 -5.698 36.903 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -9.000 -5.854 36.769 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.764 -4.252 36.643 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.127 -5.117 34.888 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.124 -3.671 34.626 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.328 -4.862 33.319 1.00 0.24 H new ATOM 298 N ILE A 20 -6.632 -5.268 35.332 1.00 0.22 N ATOM 299 CA ILE A 20 -5.494 -6.091 35.824 1.00 0.24 C ATOM 300 C ILE A 20 -5.935 -6.885 37.058 1.00 0.24 C ATOM 301 O ILE A 20 -6.495 -6.330 37.975 1.00 0.23 O ATOM 302 CB ILE A 20 -4.406 -5.066 36.178 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.568 -4.769 34.933 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.497 -5.614 37.282 1.00 0.24 C ATOM 305 CD1 ILE A 20 -4.459 -4.154 33.853 1.00 1.38 C ATOM 0 H ILE A 20 -6.631 -4.296 35.640 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.138 -6.818 35.094 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.882 -4.152 36.534 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -2.756 -4.086 35.183 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -3.110 -5.686 34.563 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.731 -4.877 37.522 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -4.091 -5.823 38.172 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -3.021 -6.533 36.939 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -3.862 -3.942 32.966 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -5.255 -4.853 33.596 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -4.896 -3.228 34.226 1.00 1.38 H new ATOM 317 N PRO A 21 -5.620 -8.151 37.062 1.00 0.28 N ATOM 318 CA PRO A 21 -5.942 -9.007 38.230 1.00 0.30 C ATOM 319 C PRO A 21 -5.296 -8.429 39.491 1.00 0.28 C ATOM 320 O PRO A 21 -4.203 -7.905 39.452 1.00 0.27 O ATOM 321 CB PRO A 21 -5.342 -10.371 37.879 1.00 0.35 C ATOM 322 CG PRO A 21 -4.464 -10.143 36.686 1.00 0.35 C ATOM 323 CD PRO A 21 -4.945 -8.894 35.999 1.00 0.32 C ATOM 0 HA PRO A 21 -7.012 -9.073 38.430 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.768 -10.771 38.715 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.125 -11.095 37.654 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.423 -10.035 36.992 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.511 -10.995 36.008 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.117 -8.325 35.577 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.624 -9.125 35.178 1.00 0.32 H new ATOM 331 N ILE A 22 -5.975 -8.481 40.603 1.00 0.30 N ATOM 332 CA ILE A 22 -5.407 -7.882 41.846 1.00 0.30 C ATOM 333 C ILE A 22 -4.033 -8.482 42.144 1.00 0.32 C ATOM 334 O ILE A 22 -3.154 -7.816 42.652 1.00 0.32 O ATOM 335 CB ILE A 22 -6.406 -8.231 42.950 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.133 -7.363 44.180 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.262 -9.707 43.326 1.00 0.42 C ATOM 338 CD1 ILE A 22 -4.752 -7.699 44.748 1.00 1.11 C ATOM 0 H ILE A 22 -6.895 -8.910 40.706 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.265 -6.805 41.758 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.419 -8.046 42.592 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.180 -6.308 43.911 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -6.900 -7.534 44.936 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.975 -9.953 44.113 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.459 -10.326 42.451 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.249 -9.895 43.682 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -4.559 -7.080 45.624 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -4.722 -8.751 45.033 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -3.991 -7.506 43.992 1.00 1.11 H new ATOM 350 N GLU A 23 -3.823 -9.718 41.796 1.00 0.36 N ATOM 351 CA GLU A 23 -2.482 -10.326 42.024 1.00 0.40 C ATOM 352 C GLU A 23 -1.409 -9.496 41.314 1.00 0.37 C ATOM 353 O GLU A 23 -0.330 -9.279 41.826 1.00 0.39 O ATOM 354 CB GLU A 23 -2.572 -11.720 41.404 1.00 0.44 C ATOM 355 CG GLU A 23 -1.287 -12.496 41.701 1.00 1.22 C ATOM 356 CD GLU A 23 -1.333 -13.853 40.996 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.311 -14.111 40.314 1.00 2.01 O ATOM 358 OE2 GLU A 23 -0.391 -14.611 41.150 1.00 2.37 O ATOM 0 H GLU A 23 -4.515 -10.332 41.366 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.215 -10.365 43.080 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -3.433 -12.254 41.807 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -2.721 -11.641 40.327 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -0.421 -11.928 41.362 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -1.175 -12.637 42.776 1.00 1.22 H new ATOM 365 N LEU A 24 -1.730 -8.972 40.162 1.00 0.34 N ATOM 366 CA LEU A 24 -0.768 -8.098 39.437 1.00 0.33 C ATOM 367 C LEU A 24 -0.800 -6.680 40.006 1.00 0.29 C ATOM 368 O LEU A 24 0.203 -6.001 40.047 1.00 0.29 O ATOM 369 CB LEU A 24 -1.235 -8.106 37.981 1.00 0.33 C ATOM 370 CG LEU A 24 -1.122 -9.523 37.414 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.437 -9.501 35.917 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.301 -10.042 37.627 1.00 1.75 C ATOM 0 H LEU A 24 -2.623 -9.114 39.690 1.00 0.34 H new ATOM 0 HA LEU A 24 0.258 -8.452 39.535 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.266 -7.759 37.917 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.630 -7.418 37.391 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.830 -10.177 37.924 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.356 -10.510 35.513 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.450 -9.129 35.764 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.729 -8.848 35.406 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.384 -11.051 37.224 1.00 1.75 H new ATOM 0 HD22 LEU A 24 1.007 -9.388 37.116 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.527 -10.057 38.693 1.00 1.75 H new ATOM 384 N ARG A 25 -1.918 -6.257 40.533 1.00 0.25 N ATOM 385 CA ARG A 25 -1.951 -4.920 41.189 1.00 0.23 C ATOM 386 C ARG A 25 -0.896 -4.876 42.291 1.00 0.25 C ATOM 387 O ARG A 25 -0.202 -3.894 42.465 1.00 0.25 O ATOM 388 CB ARG A 25 -3.348 -4.781 41.806 1.00 0.22 C ATOM 389 CG ARG A 25 -4.430 -4.847 40.725 1.00 0.21 C ATOM 390 CD ARG A 25 -5.785 -4.503 41.357 1.00 0.22 C ATOM 391 NE ARG A 25 -6.807 -5.053 40.429 1.00 0.23 N ATOM 392 CZ ARG A 25 -8.036 -5.228 40.835 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.375 -4.920 42.059 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.930 -5.711 40.016 1.00 0.27 N ATOM 0 H ARG A 25 -2.798 -6.772 40.538 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.747 -4.116 40.482 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.508 -5.574 42.536 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.421 -3.835 42.342 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.201 -4.149 39.920 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.462 -5.843 40.284 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.878 -4.944 42.349 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.901 -3.426 41.475 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.548 -5.294 39.472 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.679 -4.541 42.701 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.336 -5.058 42.372 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.669 -5.951 39.060 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.890 -5.848 40.332 1.00 0.27 H new ATOM 408 N ARG A 26 -0.805 -5.921 43.064 1.00 0.29 N ATOM 409 CA ARG A 26 0.169 -5.930 44.194 1.00 0.33 C ATOM 410 C ARG A 26 1.602 -6.072 43.674 1.00 0.35 C ATOM 411 O ARG A 26 2.488 -5.330 44.049 1.00 0.35 O ATOM 412 CB ARG A 26 -0.213 -7.149 45.033 1.00 0.37 C ATOM 413 CG ARG A 26 0.648 -7.192 46.297 1.00 1.07 C ATOM 414 CD ARG A 26 0.306 -8.445 47.106 1.00 1.25 C ATOM 415 NE ARG A 26 1.103 -8.323 48.359 1.00 1.85 N ATOM 416 CZ ARG A 26 0.770 -9.011 49.418 1.00 2.32 C ATOM 417 NH1 ARG A 26 -0.262 -9.812 49.384 1.00 2.40 N ATOM 418 NH2 ARG A 26 1.472 -8.901 50.513 1.00 3.26 N ATOM 0 H ARG A 26 -1.362 -6.770 42.964 1.00 0.29 H new ATOM 0 HA ARG A 26 0.134 -5.004 44.768 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -1.268 -7.102 45.301 1.00 0.37 H new ATOM 0 HB3 ARG A 26 -0.071 -8.061 44.453 1.00 0.37 H new ATOM 0 HG2 ARG A 26 1.705 -7.196 46.030 1.00 1.07 H new ATOM 0 HG3 ARG A 26 0.475 -6.300 46.898 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -0.761 -8.497 47.320 1.00 1.25 H new ATOM 0 HD3 ARG A 26 0.566 -9.351 46.559 1.00 1.25 H new ATOM 0 HE ARG A 26 1.911 -7.701 48.390 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -0.810 -9.901 48.529 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -0.519 -10.348 50.213 1.00 2.40 H new ATOM 0 HH21 ARG A 26 2.279 -8.278 50.541 1.00 3.26 H new ATOM 0 HH22 ARG A 26 1.213 -9.438 51.341 1.00 3.26 H new ATOM 432 N THR A 27 1.843 -7.041 42.833 1.00 0.37 N ATOM 433 CA THR A 27 3.226 -7.267 42.322 1.00 0.41 C ATOM 434 C THR A 27 3.715 -6.068 41.505 1.00 0.39 C ATOM 435 O THR A 27 4.898 -5.795 41.439 1.00 0.42 O ATOM 436 CB THR A 27 3.124 -8.511 41.439 1.00 0.44 C ATOM 437 OG1 THR A 27 2.553 -9.576 42.186 1.00 0.61 O ATOM 438 CG2 THR A 27 4.517 -8.913 40.955 1.00 0.77 C ATOM 0 H THR A 27 1.140 -7.688 42.477 1.00 0.37 H new ATOM 0 HA THR A 27 3.940 -7.395 43.136 1.00 0.41 H new ATOM 0 HB THR A 27 2.493 -8.293 40.577 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.579 -9.569 42.074 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.442 -9.800 40.326 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.952 -8.096 40.380 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.152 -9.130 41.814 1.00 0.77 H new ATOM 446 N LEU A 28 2.829 -5.381 40.842 1.00 0.35 N ATOM 447 CA LEU A 28 3.266 -4.243 39.983 1.00 0.34 C ATOM 448 C LEU A 28 3.344 -2.947 40.796 1.00 0.32 C ATOM 449 O LEU A 28 3.782 -1.926 40.304 1.00 0.33 O ATOM 450 CB LEU A 28 2.196 -4.138 38.894 1.00 0.32 C ATOM 451 CG LEU A 28 2.652 -3.146 37.823 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.826 -3.742 37.043 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.494 -2.866 36.863 1.00 1.05 C ATOM 0 H LEU A 28 1.824 -5.556 40.856 1.00 0.35 H new ATOM 0 HA LEU A 28 4.260 -4.403 39.566 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.020 -5.116 38.447 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.251 -3.811 39.328 1.00 0.32 H new ATOM 0 HG LEU A 28 2.965 -2.216 38.298 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.152 -3.036 36.279 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.651 -3.944 37.726 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.513 -4.671 36.567 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.818 -2.159 36.099 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.182 -3.796 36.388 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.656 -2.443 37.417 1.00 1.05 H new ATOM 465 N GLY A 29 2.943 -2.978 42.037 1.00 0.32 N ATOM 466 CA GLY A 29 3.017 -1.745 42.869 1.00 0.32 C ATOM 467 C GLY A 29 2.083 -0.681 42.294 1.00 0.29 C ATOM 468 O GLY A 29 2.441 0.475 42.179 1.00 0.29 O ATOM 0 H GLY A 29 2.569 -3.801 42.509 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.737 -1.971 43.898 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.040 -1.371 42.892 1.00 0.32 H new ATOM 472 N ILE A 30 0.903 -1.064 41.903 1.00 0.27 N ATOM 473 CA ILE A 30 -0.037 -0.074 41.298 1.00 0.24 C ATOM 474 C ILE A 30 -1.280 0.095 42.172 1.00 0.23 C ATOM 475 O ILE A 30 -1.801 -0.850 42.730 1.00 0.26 O ATOM 476 CB ILE A 30 -0.415 -0.654 39.937 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.851 -0.856 39.101 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.354 0.312 39.213 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.682 0.431 39.116 1.00 0.29 C ATOM 0 H ILE A 30 0.546 -2.017 41.974 1.00 0.27 H new ATOM 0 HA ILE A 30 0.419 0.912 41.208 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.917 -1.612 40.077 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.436 -1.684 39.501 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.586 -1.119 38.077 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.624 -0.102 38.242 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.255 0.458 39.808 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.853 1.270 39.073 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.584 0.289 38.521 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.095 1.248 38.696 1.00 0.29 H new ATOM 0 HD13 ILE A 30 1.959 0.673 40.142 1.00 0.29 H new ATOM 491 N ALA A 31 -1.730 1.307 42.319 1.00 0.22 N ATOM 492 CA ALA A 31 -2.911 1.579 43.187 1.00 0.23 C ATOM 493 C ALA A 31 -3.780 2.673 42.561 1.00 0.20 C ATOM 494 O ALA A 31 -3.374 3.348 41.637 1.00 0.18 O ATOM 495 CB ALA A 31 -2.323 2.067 44.510 1.00 0.23 C ATOM 0 H ALA A 31 -1.328 2.130 41.871 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.541 0.699 43.316 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.131 2.290 45.207 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.683 1.292 44.932 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.735 2.968 44.336 1.00 0.23 H new ATOM 501 N GLU A 32 -4.973 2.849 43.050 1.00 0.22 N ATOM 502 CA GLU A 32 -5.865 3.895 42.473 1.00 0.21 C ATOM 503 C GLU A 32 -5.156 5.255 42.451 1.00 0.19 C ATOM 504 O GLU A 32 -4.403 5.585 43.345 1.00 0.20 O ATOM 505 CB GLU A 32 -7.075 3.939 43.406 1.00 0.25 C ATOM 506 CG GLU A 32 -8.133 4.879 42.827 1.00 0.27 C ATOM 507 CD GLU A 32 -9.299 5.004 43.809 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.224 4.400 44.867 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.248 5.700 43.487 1.00 1.13 O ATOM 0 H GLU A 32 -5.371 2.316 43.823 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.147 3.671 41.444 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.490 2.938 43.528 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.772 4.281 44.396 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.698 5.860 42.637 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.489 4.497 41.870 1.00 0.27 H new ATOM 516 N LYS A 33 -5.438 6.057 41.458 1.00 0.19 N ATOM 517 CA LYS A 33 -4.847 7.431 41.373 1.00 0.20 C ATOM 518 C LYS A 33 -3.375 7.375 40.950 1.00 0.18 C ATOM 519 O LYS A 33 -2.774 8.389 40.651 1.00 0.21 O ATOM 520 CB LYS A 33 -4.978 8.027 42.779 1.00 0.23 C ATOM 521 CG LYS A 33 -4.823 9.548 42.702 1.00 0.29 C ATOM 522 CD LYS A 33 -4.892 10.141 44.111 1.00 0.87 C ATOM 523 CE LYS A 33 -4.897 11.669 44.022 1.00 1.35 C ATOM 524 NZ LYS A 33 -4.889 12.136 45.437 1.00 1.88 N ATOM 0 H LYS A 33 -6.063 5.816 40.689 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.361 8.036 40.626 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.947 7.770 43.206 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.218 7.606 43.437 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.872 9.804 42.235 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.609 9.973 42.078 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.791 9.793 44.620 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -4.040 9.803 44.701 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -4.025 12.036 43.480 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -5.778 12.031 43.492 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -4.892 13.176 45.459 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -5.734 11.777 45.926 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -4.036 11.782 45.915 1.00 1.88 H new ATOM 538 N ASP A 34 -2.815 6.202 40.817 1.00 0.16 N ATOM 539 CA ASP A 34 -1.422 6.106 40.291 1.00 0.16 C ATOM 540 C ASP A 34 -1.420 6.300 38.773 1.00 0.19 C ATOM 541 O ASP A 34 -2.459 6.326 38.144 1.00 0.20 O ATOM 542 CB ASP A 34 -0.947 4.704 40.658 1.00 0.17 C ATOM 543 CG ASP A 34 -0.660 4.647 42.158 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.714 5.688 42.793 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.392 3.564 42.644 1.00 1.08 O ATOM 0 H ASP A 34 -3.258 5.313 41.048 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.769 6.872 40.710 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.707 3.969 40.393 1.00 0.17 H new ATOM 0 HB3 ASP A 34 -0.049 4.452 40.094 1.00 0.17 H new ATOM 550 N ALA A 35 -0.272 6.522 38.192 1.00 0.22 N ATOM 551 CA ALA A 35 -0.226 6.813 36.729 1.00 0.28 C ATOM 552 C ALA A 35 0.283 5.598 35.947 1.00 0.20 C ATOM 553 O ALA A 35 1.319 5.038 36.251 1.00 0.16 O ATOM 554 CB ALA A 35 0.748 7.984 36.595 1.00 0.36 C ATOM 0 H ALA A 35 0.632 6.515 38.664 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.212 7.047 36.327 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.840 8.262 35.545 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.375 8.835 37.165 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.725 7.691 36.979 1.00 0.36 H new ATOM 560 N LEU A 36 -0.397 5.244 34.889 1.00 0.24 N ATOM 561 CA LEU A 36 0.084 4.133 34.016 1.00 0.21 C ATOM 562 C LEU A 36 0.569 4.703 32.683 1.00 0.20 C ATOM 563 O LEU A 36 -0.072 5.559 32.108 1.00 0.23 O ATOM 564 CB LEU A 36 -1.143 3.252 33.781 1.00 0.34 C ATOM 565 CG LEU A 36 -1.838 2.955 35.108 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.263 2.477 34.827 1.00 0.55 C ATOM 567 CD2 LEU A 36 -1.070 1.860 35.852 1.00 0.56 C ATOM 0 H LEU A 36 -1.270 5.679 34.590 1.00 0.24 H new ATOM 0 HA LEU A 36 0.909 3.581 34.466 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.835 3.752 33.103 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.845 2.320 33.301 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.865 3.856 35.721 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.767 2.262 35.769 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.809 3.254 34.292 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.230 1.573 34.219 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.566 1.648 36.799 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -1.046 0.955 35.244 1.00 0.56 H new ATOM 0 HD23 LEU A 36 -0.051 2.196 36.043 1.00 0.56 H new ATOM 579 N GLU A 37 1.604 4.148 32.115 1.00 0.19 N ATOM 580 CA GLU A 37 2.002 4.582 30.747 1.00 0.21 C ATOM 581 C GLU A 37 1.681 3.477 29.738 1.00 0.19 C ATOM 582 O GLU A 37 1.754 2.303 30.045 1.00 0.20 O ATOM 583 CB GLU A 37 3.508 4.837 30.820 1.00 0.25 C ATOM 584 CG GLU A 37 3.996 5.390 29.480 1.00 0.26 C ATOM 585 CD GLU A 37 5.516 5.564 29.522 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.099 5.256 30.549 1.00 1.08 O ATOM 587 OE2 GLU A 37 6.070 6.002 28.528 1.00 1.17 O ATOM 0 H GLU A 37 2.185 3.421 32.533 1.00 0.19 H new ATOM 0 HA GLU A 37 1.467 5.475 30.423 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.730 5.544 31.620 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.033 3.912 31.057 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.719 4.712 28.672 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.516 6.346 29.273 1.00 0.26 H new ATOM 594 N ILE A 38 1.204 3.849 28.585 1.00 0.21 N ATOM 595 CA ILE A 38 0.729 2.834 27.605 1.00 0.20 C ATOM 596 C ILE A 38 1.660 2.781 26.393 1.00 0.20 C ATOM 597 O ILE A 38 2.039 3.799 25.837 1.00 0.24 O ATOM 598 CB ILE A 38 -0.664 3.308 27.188 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.528 3.516 28.435 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.315 2.255 26.288 1.00 0.73 C ATOM 601 CD1 ILE A 38 -1.398 2.302 29.357 1.00 0.84 C ATOM 0 H ILE A 38 1.122 4.818 28.277 1.00 0.21 H new ATOM 0 HA ILE A 38 0.711 1.831 28.031 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.578 4.248 26.644 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.216 4.419 28.960 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -2.570 3.658 28.148 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.308 2.593 25.991 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.702 2.106 25.399 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.400 1.314 26.832 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -2.013 2.451 30.244 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -1.731 1.408 28.830 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -0.356 2.181 29.654 1.00 0.84 H new ATOM 613 N TYR A 39 2.028 1.596 25.998 1.00 0.19 N ATOM 614 CA TYR A 39 2.945 1.413 24.837 1.00 0.21 C ATOM 615 C TYR A 39 2.214 0.691 23.702 1.00 0.20 C ATOM 616 O TYR A 39 1.293 -0.066 23.935 1.00 0.20 O ATOM 617 CB TYR A 39 4.061 0.521 25.374 1.00 0.24 C ATOM 618 CG TYR A 39 5.044 1.330 26.177 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.647 1.954 27.365 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.360 1.438 25.734 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.574 2.693 28.111 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.290 2.175 26.475 1.00 0.36 C ATOM 623 CZ TYR A 39 6.898 2.805 27.663 1.00 0.39 C ATOM 624 OH TYR A 39 7.815 3.536 28.390 1.00 0.45 O ATOM 0 H TYR A 39 1.726 0.728 26.440 1.00 0.19 H new ATOM 0 HA TYR A 39 3.312 2.360 24.442 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.637 -0.267 25.996 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.574 0.033 24.546 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.626 1.866 27.707 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.663 0.953 24.818 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.270 3.175 29.028 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.310 2.258 26.131 1.00 0.36 H new ATOM 0 HH TYR A 39 8.685 3.510 27.940 1.00 0.45 H new ATOM 634 N VAL A 40 2.696 0.809 22.496 1.00 0.21 N ATOM 635 CA VAL A 40 2.104 0.005 21.387 1.00 0.22 C ATOM 636 C VAL A 40 3.199 -0.712 20.590 1.00 0.22 C ATOM 637 O VAL A 40 4.152 -0.108 20.141 1.00 0.23 O ATOM 638 CB VAL A 40 1.374 1.016 20.505 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.843 0.312 19.256 1.00 0.27 C ATOM 640 CG2 VAL A 40 0.203 1.613 21.289 1.00 0.27 C ATOM 0 H VAL A 40 3.467 1.421 22.230 1.00 0.21 H new ATOM 0 HA VAL A 40 1.435 -0.769 21.762 1.00 0.22 H new ATOM 0 HB VAL A 40 2.061 1.809 20.210 1.00 0.25 H new ATOM 0 HG11 VAL A 40 0.322 1.033 18.626 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.675 -0.121 18.701 1.00 0.27 H new ATOM 0 HG13 VAL A 40 0.153 -0.479 19.550 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.322 2.336 20.665 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.484 0.818 21.579 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.580 2.111 22.182 1.00 0.27 H new ATOM 650 N ASP A 41 3.055 -1.994 20.394 1.00 0.21 N ATOM 651 CA ASP A 41 4.067 -2.751 19.603 1.00 0.22 C ATOM 652 C ASP A 41 3.390 -3.882 18.821 1.00 0.25 C ATOM 653 O ASP A 41 2.703 -4.708 19.382 1.00 0.27 O ATOM 654 CB ASP A 41 5.033 -3.325 20.639 1.00 0.20 C ATOM 655 CG ASP A 41 4.354 -4.470 21.393 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.165 -4.364 21.644 1.00 1.69 O ATOM 657 OD2 ASP A 41 5.035 -5.431 21.709 1.00 1.77 O ATOM 0 H ASP A 41 2.278 -2.552 20.749 1.00 0.21 H new ATOM 0 HA ASP A 41 4.576 -2.119 18.875 1.00 0.22 H new ATOM 0 HB2 ASP A 41 5.937 -3.685 20.148 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.338 -2.546 21.338 1.00 0.20 H new ATOM 662 N ASP A 42 3.647 -3.976 17.546 1.00 0.27 N ATOM 663 CA ASP A 42 3.092 -5.112 16.753 1.00 0.33 C ATOM 664 C ASP A 42 1.605 -5.326 17.067 1.00 0.33 C ATOM 665 O ASP A 42 1.167 -6.435 17.298 1.00 0.37 O ATOM 666 CB ASP A 42 3.914 -6.321 17.189 1.00 0.38 C ATOM 667 CG ASP A 42 3.375 -7.580 16.508 1.00 0.45 C ATOM 668 OD1 ASP A 42 2.509 -7.446 15.658 1.00 1.14 O ATOM 669 OD2 ASP A 42 3.840 -8.658 16.844 1.00 1.22 O ATOM 0 H ASP A 42 4.217 -3.316 17.017 1.00 0.27 H new ATOM 0 HA ASP A 42 3.153 -4.933 15.680 1.00 0.33 H new ATOM 0 HB2 ASP A 42 4.962 -6.174 16.928 1.00 0.38 H new ATOM 0 HB3 ASP A 42 3.868 -6.433 18.272 1.00 0.38 H new ATOM 674 N GLU A 43 0.821 -4.282 17.019 1.00 0.30 N ATOM 675 CA GLU A 43 -0.651 -4.430 17.245 1.00 0.31 C ATOM 676 C GLU A 43 -0.930 -5.007 18.635 1.00 0.30 C ATOM 677 O GLU A 43 -2.049 -5.351 18.961 1.00 0.31 O ATOM 678 CB GLU A 43 -1.133 -5.389 16.155 1.00 0.35 C ATOM 679 CG GLU A 43 -0.842 -4.789 14.779 1.00 1.17 C ATOM 680 CD GLU A 43 -1.393 -5.713 13.692 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.800 -6.813 14.026 1.00 1.68 O ATOM 682 OE2 GLU A 43 -1.398 -5.305 12.541 1.00 1.93 O ATOM 0 H GLU A 43 1.135 -3.330 16.833 1.00 0.30 H new ATOM 0 HA GLU A 43 -1.166 -3.471 17.198 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.632 -6.352 16.256 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -2.202 -5.572 16.264 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -1.297 -3.802 14.697 1.00 1.17 H new ATOM 0 HG3 GLU A 43 0.232 -4.656 14.648 1.00 1.17 H new ATOM 689 N LYS A 44 0.059 -5.040 19.481 1.00 0.29 N ATOM 690 CA LYS A 44 -0.167 -5.502 20.881 1.00 0.30 C ATOM 691 C LYS A 44 0.029 -4.335 21.850 1.00 0.27 C ATOM 692 O LYS A 44 0.745 -3.399 21.565 1.00 0.26 O ATOM 693 CB LYS A 44 0.889 -6.581 21.120 1.00 0.34 C ATOM 694 CG LYS A 44 0.672 -7.737 20.142 1.00 1.29 C ATOM 695 CD LYS A 44 1.567 -8.914 20.535 1.00 1.23 C ATOM 696 CE LYS A 44 3.036 -8.515 20.379 1.00 1.90 C ATOM 697 NZ LYS A 44 3.596 -9.486 19.397 1.00 2.01 N ATOM 0 H LYS A 44 1.018 -4.767 19.265 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.176 -5.884 21.036 1.00 0.30 H new ATOM 0 HB2 LYS A 44 1.887 -6.163 20.989 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.828 -6.943 22.146 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.374 -8.043 20.151 1.00 1.29 H new ATOM 0 HG3 LYS A 44 0.901 -7.416 19.126 1.00 1.29 H new ATOM 0 HD2 LYS A 44 1.367 -9.208 21.565 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.346 -9.778 19.908 1.00 1.23 H new ATOM 0 HE2 LYS A 44 3.131 -7.490 20.019 1.00 1.90 H new ATOM 0 HE3 LYS A 44 3.563 -8.568 21.332 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 4.635 -9.460 19.437 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 3.264 -10.444 19.628 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.280 -9.232 18.439 1.00 2.01 H new ATOM 711 N ILE A 45 -0.650 -4.348 22.963 1.00 0.28 N ATOM 712 CA ILE A 45 -0.548 -3.196 23.904 1.00 0.27 C ATOM 713 C ILE A 45 0.380 -3.544 25.073 1.00 0.27 C ATOM 714 O ILE A 45 0.192 -4.534 25.750 1.00 0.29 O ATOM 715 CB ILE A 45 -1.974 -2.981 24.407 1.00 0.30 C ATOM 716 CG1 ILE A 45 -2.908 -2.781 23.212 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.018 -1.742 25.300 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.359 -2.873 23.680 1.00 1.25 C ATOM 0 H ILE A 45 -1.268 -5.102 23.262 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.137 -2.306 23.427 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.294 -3.852 24.979 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -2.724 -1.810 22.751 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.711 -3.537 22.452 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.036 -1.588 25.659 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.350 -1.882 26.150 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -1.699 -0.870 24.729 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.025 -2.731 22.829 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.538 -3.854 24.121 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.551 -2.100 24.424 1.00 1.25 H new ATOM 730 N ILE A 46 1.339 -2.703 25.350 1.00 0.26 N ATOM 731 CA ILE A 46 2.233 -2.940 26.521 1.00 0.29 C ATOM 732 C ILE A 46 1.987 -1.877 27.596 1.00 0.29 C ATOM 733 O ILE A 46 2.121 -0.699 27.355 1.00 0.31 O ATOM 734 CB ILE A 46 3.652 -2.823 25.956 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.927 -4.012 25.036 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.670 -2.807 27.097 1.00 0.37 C ATOM 737 CD1 ILE A 46 4.970 -3.610 23.995 1.00 0.50 C ATOM 0 H ILE A 46 1.543 -1.859 24.815 1.00 0.26 H new ATOM 0 HA ILE A 46 2.059 -3.908 26.992 1.00 0.29 H new ATOM 0 HB ILE A 46 3.741 -1.895 25.392 1.00 0.32 H new ATOM 0 HG12 ILE A 46 4.285 -4.862 25.617 1.00 0.44 H new ATOM 0 HG13 ILE A 46 3.007 -4.327 24.544 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.676 -2.724 26.686 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.473 -1.956 27.749 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.588 -3.730 27.671 1.00 0.37 H new ATOM 0 HD11 ILE A 46 5.170 -4.455 23.336 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.594 -2.772 23.408 1.00 0.50 H new ATOM 0 HD13 ILE A 46 5.891 -3.316 24.498 1.00 0.50 H new ATOM 749 N LEU A 47 1.622 -2.284 28.778 1.00 0.28 N ATOM 750 CA LEU A 47 1.365 -1.287 29.859 1.00 0.29 C ATOM 751 C LEU A 47 2.392 -1.446 30.980 1.00 0.31 C ATOM 752 O LEU A 47 2.670 -2.540 31.428 1.00 0.39 O ATOM 753 CB LEU A 47 -0.035 -1.603 30.378 1.00 0.34 C ATOM 754 CG LEU A 47 -1.043 -1.522 29.229 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.964 -2.795 28.385 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.455 -1.382 29.803 1.00 1.24 C ATOM 0 H LEU A 47 1.490 -3.260 29.045 1.00 0.28 H new ATOM 0 HA LEU A 47 1.442 -0.263 29.494 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.053 -2.599 30.820 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.309 -0.900 31.165 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.812 -0.659 28.605 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.683 -2.735 27.568 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.041 -2.899 27.977 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.194 -3.659 29.008 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.175 -1.324 28.987 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.682 -2.247 30.426 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.515 -0.475 30.405 1.00 1.24 H new ATOM 768 N LYS A 48 2.933 -0.361 31.453 1.00 0.29 N ATOM 769 CA LYS A 48 3.920 -0.442 32.569 1.00 0.35 C ATOM 770 C LYS A 48 3.715 0.719 33.543 1.00 0.28 C ATOM 771 O LYS A 48 3.080 1.702 33.222 1.00 0.25 O ATOM 772 CB LYS A 48 5.293 -0.345 31.901 1.00 0.47 C ATOM 773 CG LYS A 48 5.485 1.052 31.303 1.00 0.65 C ATOM 774 CD LYS A 48 6.868 1.136 30.656 1.00 0.85 C ATOM 775 CE LYS A 48 7.373 2.578 30.721 1.00 1.54 C ATOM 776 NZ LYS A 48 7.504 2.874 32.174 1.00 1.74 N ATOM 0 H LYS A 48 2.736 0.581 31.116 1.00 0.29 H new ATOM 0 HA LYS A 48 3.813 -1.362 33.144 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.077 -0.549 32.630 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.381 -1.100 31.119 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.711 1.253 30.562 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.387 1.810 32.080 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.563 0.472 31.170 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.817 0.803 29.619 1.00 0.85 H new ATOM 0 HE2 LYS A 48 8.329 2.685 30.208 1.00 1.54 H new ATOM 0 HE3 LYS A 48 6.675 3.263 30.240 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.221 3.615 32.314 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 6.590 3.202 32.545 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 7.793 2.012 32.679 1.00 1.74 H new ATOM 790 N LYS A 49 4.284 0.636 34.715 1.00 0.28 N ATOM 791 CA LYS A 49 4.157 1.765 35.680 1.00 0.25 C ATOM 792 C LYS A 49 4.709 3.047 35.060 1.00 0.22 C ATOM 793 O LYS A 49 5.589 3.016 34.223 1.00 0.24 O ATOM 794 CB LYS A 49 4.990 1.355 36.892 1.00 0.29 C ATOM 795 CG LYS A 49 4.844 2.406 37.992 1.00 0.30 C ATOM 796 CD LYS A 49 5.728 2.026 39.182 1.00 0.54 C ATOM 797 CE LYS A 49 5.458 2.984 40.346 1.00 1.08 C ATOM 798 NZ LYS A 49 6.638 2.841 41.243 1.00 1.65 N ATOM 0 H LYS A 49 4.829 -0.161 35.045 1.00 0.28 H new ATOM 0 HA LYS A 49 3.119 1.960 35.951 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.663 0.382 37.259 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.038 1.253 36.609 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.129 3.387 37.612 1.00 0.30 H new ATOM 0 HG3 LYS A 49 3.803 2.476 38.307 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.524 1.000 39.487 1.00 0.54 H new ATOM 0 HD3 LYS A 49 6.779 2.071 38.897 1.00 0.54 H new ATOM 0 HE2 LYS A 49 5.350 4.011 39.996 1.00 1.08 H new ATOM 0 HE3 LYS A 49 4.534 2.726 40.864 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.527 3.468 42.066 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 6.711 1.855 41.566 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 7.502 3.100 40.725 1.00 1.65 H new ATOM 812 N TYR A 50 4.145 4.167 35.406 1.00 0.20 N ATOM 813 CA TYR A 50 4.577 5.443 34.769 1.00 0.21 C ATOM 814 C TYR A 50 5.455 6.251 35.726 1.00 0.22 C ATOM 815 O TYR A 50 5.021 6.671 36.781 1.00 0.22 O ATOM 816 CB TYR A 50 3.280 6.194 34.473 1.00 0.20 C ATOM 817 CG TYR A 50 3.599 7.516 33.816 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.737 7.643 33.011 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.759 8.617 34.016 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.034 8.870 32.407 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.055 9.844 33.412 1.00 0.28 C ATOM 822 CZ TYR A 50 4.193 9.972 32.607 1.00 0.30 C ATOM 823 OH TYR A 50 4.484 11.181 32.011 1.00 0.35 O ATOM 0 H TYR A 50 3.404 4.257 36.101 1.00 0.20 H new ATOM 0 HA TYR A 50 5.168 5.272 33.869 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.643 5.597 33.821 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.725 6.360 35.396 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.386 6.794 32.856 1.00 0.26 H new ATOM 0 HD2 TYR A 50 1.881 8.520 34.637 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.912 8.967 31.786 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.405 10.693 33.567 1.00 0.28 H new ATOM 0 HH TYR A 50 3.798 11.838 32.252 1.00 0.35 H new ATOM 995 N VAL B 9 -0.244 8.231 28.627 1.00 0.32 N ATOM 996 CA VAL B 9 -0.470 7.742 30.019 1.00 0.29 C ATOM 997 C VAL B 9 -1.895 8.062 30.483 1.00 0.32 C ATOM 998 O VAL B 9 -2.443 9.103 30.178 1.00 0.37 O ATOM 999 CB VAL B 9 0.556 8.482 30.876 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.366 8.099 32.345 1.00 0.27 C ATOM 1001 CG2 VAL B 9 1.968 8.090 30.430 1.00 0.30 C ATOM 0 HA VAL B 9 -0.357 6.660 30.092 1.00 0.29 H new ATOM 0 HB VAL B 9 0.419 9.557 30.759 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.098 8.627 32.956 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.639 8.373 32.665 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.504 7.024 32.461 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.702 8.617 31.040 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.102 7.015 30.549 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.107 8.359 29.383 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.479 7.185 31.251 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.849 7.438 31.784 1.00 0.36 C ATOM 1013 C ARG B 10 -3.876 7.178 33.293 1.00 0.31 C ATOM 1014 O ARG B 10 -2.997 6.539 33.833 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.753 6.447 31.049 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.213 6.718 31.419 1.00 0.74 C ATOM 1017 CD ARG B 10 -7.116 5.698 30.722 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.504 6.136 31.037 1.00 1.14 N ATOM 1019 CZ ARG B 10 -8.994 7.211 30.479 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.270 7.908 29.644 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.212 7.591 30.759 1.00 1.92 N ATOM 0 H ARG B 10 -2.064 6.298 31.535 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.172 8.468 31.630 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.616 6.543 29.972 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.483 5.425 31.315 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.343 6.655 32.499 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.492 7.729 31.122 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.940 5.685 29.646 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.928 4.689 31.088 1.00 0.87 H new ATOM 0 HE ARG B 10 -9.073 5.596 31.689 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.318 7.614 29.425 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.657 8.747 29.211 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.778 7.049 31.412 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.597 8.430 30.325 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.854 7.694 33.983 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.901 7.499 35.461 1.00 0.30 C ATOM 1037 C LYS B 11 -5.582 6.170 35.803 1.00 0.26 C ATOM 1038 O LYS B 11 -6.468 5.717 35.107 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.723 8.674 35.991 1.00 0.34 C ATOM 1040 CG LYS B 11 -4.983 9.984 35.711 1.00 1.03 C ATOM 1041 CD LYS B 11 -5.746 11.148 36.346 1.00 1.03 C ATOM 1042 CE LYS B 11 -5.073 12.469 35.965 1.00 1.81 C ATOM 1043 NZ LYS B 11 -3.954 12.623 36.935 1.00 2.21 N ATOM 0 H LYS B 11 -5.621 8.240 33.591 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.905 7.466 35.902 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -6.704 8.689 35.515 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -5.890 8.560 37.062 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -3.971 9.936 36.114 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.891 10.139 34.636 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.782 11.145 36.008 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -5.764 11.036 37.430 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -4.706 12.444 34.939 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -5.772 13.302 36.033 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -3.496 13.546 36.793 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -4.325 12.566 37.905 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -3.258 11.865 36.785 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.175 5.543 36.876 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.801 4.246 37.267 1.00 0.22 C ATOM 1059 C VAL B 12 -7.094 4.508 38.038 1.00 0.20 C ATOM 1060 O VAL B 12 -7.115 5.272 38.982 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.781 3.565 38.182 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.124 2.081 38.314 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.374 3.714 37.600 1.00 0.29 C ATOM 0 H VAL B 12 -4.437 5.873 37.498 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.048 3.632 36.401 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.813 4.037 39.164 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.397 1.596 38.966 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.122 1.975 38.740 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.098 1.613 37.330 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.655 3.226 38.258 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.337 3.250 36.614 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.127 4.772 37.513 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.169 3.874 37.661 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.444 4.093 38.398 1.00 0.21 C ATOM 1075 C ASP B 13 -9.499 3.188 39.637 1.00 0.22 C ATOM 1076 O ASP B 13 -8.517 2.581 40.012 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.556 3.755 37.392 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.927 2.273 37.479 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.252 1.469 36.859 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.882 1.963 38.171 1.00 0.55 O ATOM 0 H ASP B 13 -8.220 3.219 36.881 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.548 5.115 38.764 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.435 4.368 37.593 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.225 3.994 36.381 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.595 3.201 40.343 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.655 2.463 41.640 1.00 0.26 C ATOM 1087 C GLU B 14 -10.278 0.985 41.466 1.00 0.26 C ATOM 1088 O GLU B 14 -9.689 0.388 42.344 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.108 2.593 42.095 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.260 1.993 43.494 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.731 2.032 43.911 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.539 2.483 43.116 1.00 1.99 O ATOM 1093 OE2 GLU B 14 -14.026 1.609 45.017 1.00 2.19 O ATOM 0 H GLU B 14 -11.451 3.689 40.081 1.00 0.23 H new ATOM 0 HA GLU B 14 -9.950 2.870 42.365 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.405 3.642 42.103 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.767 2.080 41.394 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.896 0.965 43.502 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -11.654 2.551 44.208 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.720 0.358 40.411 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.496 -1.114 40.281 1.00 0.25 C ATOM 1102 C LEU B 15 -9.101 -1.425 39.723 1.00 0.23 C ATOM 1103 O LEU B 15 -8.713 -2.570 39.624 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.576 -1.601 39.317 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.352 -3.084 39.015 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.122 -3.846 40.324 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.584 -3.650 38.305 1.00 1.39 C ATOM 0 H LEU B 15 -11.223 0.794 39.638 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.552 -1.609 41.251 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.564 -1.452 39.754 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.545 -1.021 38.394 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.478 -3.195 38.374 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.963 -4.902 40.107 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.245 -3.443 40.830 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.995 -3.736 40.968 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.426 -4.707 38.089 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.458 -3.537 38.947 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.747 -3.110 37.373 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.361 -0.432 39.316 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.020 -0.712 38.726 1.00 0.20 C ATOM 1121 C GLY B 16 -7.182 -1.135 37.263 1.00 0.21 C ATOM 1122 O GLY B 16 -6.642 -2.135 36.826 1.00 0.21 O ATOM 0 H GLY B 16 -8.622 0.553 39.365 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.390 0.175 38.791 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.520 -1.500 39.290 1.00 0.20 H new ATOM 1126 N ARG B 17 -7.962 -0.409 36.513 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.202 -0.795 35.095 1.00 0.27 C ATOM 1128 C ARG B 17 -7.620 0.265 34.157 1.00 0.26 C ATOM 1129 O ARG B 17 -7.472 1.416 34.517 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.723 -0.865 34.958 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.255 -2.027 35.799 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.769 -2.144 35.619 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.329 -0.950 36.307 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.599 -0.912 36.619 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.385 -1.901 36.290 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.085 0.117 37.260 1.00 1.14 N ATOM 0 H ARG B 17 -8.444 0.436 36.821 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.728 -1.741 34.834 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.172 0.072 35.287 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -9.999 -1.002 33.912 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.771 -2.957 35.500 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -10.016 -1.867 36.850 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.042 -2.156 34.564 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.149 -3.067 36.057 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.723 -0.162 36.535 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -14.009 -2.706 35.789 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.375 -1.869 36.534 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.474 0.892 37.518 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.075 0.145 37.503 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.286 -0.116 32.955 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.711 0.865 31.992 1.00 0.26 C ATOM 1152 C VAL B 18 -7.553 0.896 30.718 1.00 0.24 C ATOM 1153 O VAL B 18 -8.249 -0.049 30.404 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.303 0.349 31.693 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.525 0.199 33.001 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.397 -1.010 30.998 1.00 0.26 C ATOM 0 H VAL B 18 -7.387 -1.066 32.598 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.694 1.879 32.391 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.787 1.056 31.043 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.521 -0.169 32.787 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.459 1.167 33.498 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.040 -0.508 33.651 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.394 -1.379 30.784 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -5.913 -1.716 31.648 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -5.951 -0.904 30.065 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.566 2.002 30.027 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.449 2.118 28.833 1.00 0.22 C ATOM 1168 C VAL B 19 -7.617 2.186 27.552 1.00 0.22 C ATOM 1169 O VAL B 19 -6.714 2.988 27.430 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.216 3.423 29.038 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.271 3.574 27.942 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.897 3.403 30.408 1.00 0.24 C ATOM 0 H VAL B 19 -7.005 2.828 30.237 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.113 1.260 28.731 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.524 4.264 28.990 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.818 4.505 28.089 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.783 3.590 26.967 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -10.965 2.735 27.987 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.445 4.334 30.556 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.589 2.563 30.458 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.143 3.298 31.188 1.00 0.24 H new ATOM 1182 N ILE B 20 -7.995 1.435 26.554 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.313 1.554 25.236 1.00 0.24 C ATOM 1184 C ILE B 20 -7.913 2.729 24.457 1.00 0.24 C ATOM 1185 O ILE B 20 -9.113 2.835 24.335 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.596 0.217 24.536 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.519 -0.796 24.928 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.589 0.399 23.016 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -6.569 -1.036 26.439 1.00 1.38 C ATOM 0 H ILE B 20 -8.745 0.745 26.595 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.243 1.744 25.318 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.578 -0.143 24.845 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.676 -1.734 24.395 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -5.535 -0.426 24.640 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.791 -0.558 22.534 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.358 1.118 22.732 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.613 0.766 22.698 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -5.802 -1.758 26.718 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -6.391 -0.097 26.963 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -7.550 -1.425 26.713 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.054 3.546 23.911 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.518 4.686 23.083 1.00 0.30 C ATOM 1203 C PRO B 21 -8.374 4.173 21.922 1.00 0.28 C ATOM 1204 O PRO B 21 -8.113 3.126 21.364 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.229 5.332 22.569 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.127 4.363 22.879 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.597 3.488 24.008 1.00 0.32 C ATOM 0 HA PRO B 21 -8.135 5.392 23.638 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.289 5.524 21.498 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -6.053 6.291 23.055 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.888 3.761 22.002 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.217 4.894 23.159 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.229 2.467 23.903 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.245 3.856 24.972 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.423 4.871 21.584 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.320 4.379 20.498 1.00 0.30 C ATOM 1217 C ILE B 22 -9.519 4.143 19.215 1.00 0.33 C ATOM 1218 O ILE B 22 -9.806 3.242 18.452 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.350 5.491 20.296 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.530 4.951 19.484 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.707 6.659 19.547 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -12.055 4.570 18.081 1.00 1.11 C ATOM 0 H ILE B 22 -9.698 5.756 22.010 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.794 3.431 20.753 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.703 5.837 21.267 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.960 4.082 19.982 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -13.316 5.704 19.421 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.444 7.450 19.405 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.868 7.045 20.126 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.350 6.316 18.576 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -12.896 4.186 17.504 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -11.646 5.450 17.584 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -11.284 3.803 18.154 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.490 4.909 18.992 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.651 4.680 17.783 1.00 0.40 C ATOM 1236 C GLU B 23 -7.122 3.243 17.788 1.00 0.37 C ATOM 1237 O GLU B 23 -7.063 2.585 16.768 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.498 5.677 17.906 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.641 5.627 16.640 1.00 1.22 C ATOM 1240 CD GLU B 23 -4.431 6.548 16.806 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.304 7.141 17.865 1.00 2.00 O ATOM 1242 OE2 GLU B 23 -3.654 6.645 15.872 1.00 2.37 O ATOM 0 H GLU B 23 -8.194 5.680 19.590 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.206 4.817 16.855 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -6.888 6.684 18.054 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.890 5.440 18.779 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -5.311 4.605 16.452 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -6.230 5.936 15.777 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.788 2.738 18.944 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.325 1.326 19.042 1.00 0.33 C ATOM 1251 C LEU B 24 -7.520 0.370 19.034 1.00 0.29 C ATOM 1252 O LEU B 24 -7.439 -0.727 18.520 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.570 1.241 20.367 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.342 2.153 20.314 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.501 1.951 21.576 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.504 1.804 19.082 1.00 1.75 C ATOM 0 H LEU B 24 -6.816 3.246 19.828 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.693 1.043 18.200 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.222 1.538 21.189 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.264 0.212 20.558 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.663 3.193 20.255 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.626 2.600 21.538 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.098 2.197 22.454 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.179 0.911 21.636 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.629 2.452 19.042 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.183 0.764 19.143 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -4.103 1.947 18.182 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.653 0.800 19.523 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.858 -0.074 19.442 1.00 0.23 C ATOM 1270 C ARG B 25 -10.112 -0.441 17.982 1.00 0.26 C ATOM 1271 O ARG B 25 -10.440 -1.564 17.657 1.00 0.25 O ATOM 1272 CB ARG B 25 -11.025 0.765 19.972 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.789 1.165 21.431 1.00 0.21 C ATOM 1274 CD ARG B 25 -12.064 1.819 21.977 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.629 2.605 23.164 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.399 3.541 23.650 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.557 3.790 23.100 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -12.011 4.230 24.689 1.00 0.27 N ATOM 0 H ARG B 25 -8.795 1.706 19.969 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.735 -0.994 20.014 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.143 1.659 19.360 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.952 0.198 19.891 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.530 0.289 22.025 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.950 1.857 21.502 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.527 2.462 21.228 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.804 1.067 22.253 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.727 2.412 23.599 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.862 3.253 22.289 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.156 4.522 23.482 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.107 4.037 25.120 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.612 4.961 25.069 1.00 0.27 H new ATOM 1292 N ARG B 26 -10.004 0.516 17.101 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.284 0.245 15.662 1.00 0.33 C ATOM 1294 C ARG B 26 -9.158 -0.586 15.041 1.00 0.35 C ATOM 1295 O ARG B 26 -9.397 -1.577 14.381 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.352 1.626 15.010 1.00 0.37 C ATOM 1297 CG ARG B 26 -10.758 1.478 13.542 1.00 1.07 C ATOM 1298 CD ARG B 26 -10.767 2.854 12.873 1.00 1.25 C ATOM 1299 NE ARG B 26 -11.293 2.610 11.500 1.00 1.86 N ATOM 1300 CZ ARG B 26 -11.781 3.599 10.799 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -11.811 4.805 11.297 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -12.239 3.379 9.597 1.00 3.27 N ATOM 0 H ARG B 26 -9.733 1.476 17.316 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.204 -0.323 15.523 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -11.072 2.253 15.536 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -9.384 2.122 15.082 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -10.062 0.816 13.026 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.745 1.021 13.471 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -11.399 3.555 13.419 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -9.766 3.285 12.842 1.00 1.25 H new ATOM 0 HE ARG B 26 -11.272 1.669 11.107 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -11.453 4.978 12.236 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -12.193 5.575 10.747 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -12.216 2.437 9.207 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -12.620 4.149 9.048 1.00 3.27 H new ATOM 1316 N THR B 27 -7.935 -0.163 15.211 1.00 0.37 N ATOM 1317 CA THR B 27 -6.794 -0.896 14.587 1.00 0.41 C ATOM 1318 C THR B 27 -6.683 -2.317 15.149 1.00 0.39 C ATOM 1319 O THR B 27 -6.216 -3.219 14.482 1.00 0.42 O ATOM 1320 CB THR B 27 -5.554 -0.076 14.947 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.738 1.268 14.522 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.328 -0.669 14.252 1.00 0.77 C ATOM 0 H THR B 27 -7.675 0.659 15.756 1.00 0.37 H new ATOM 0 HA THR B 27 -6.920 -1.001 13.509 1.00 0.41 H new ATOM 0 HB THR B 27 -5.403 -0.099 16.026 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.140 1.789 15.248 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.445 -0.084 14.509 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.188 -1.700 14.578 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.476 -0.647 13.172 1.00 0.77 H new ATOM 1330 N LEU B 28 -7.045 -2.512 16.386 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.890 -3.863 16.999 1.00 0.35 C ATOM 1332 C LEU B 28 -8.124 -4.731 16.717 1.00 0.33 C ATOM 1333 O LEU B 28 -8.153 -5.903 17.038 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.742 -3.604 18.497 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.353 -4.904 19.203 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.926 -5.292 18.811 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.425 -4.699 20.719 1.00 1.05 C ATOM 0 H LEU B 28 -7.440 -1.798 16.998 1.00 0.35 H new ATOM 0 HA LEU B 28 -6.034 -4.401 16.592 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.983 -2.841 18.672 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.678 -3.222 18.905 1.00 0.33 H new ATOM 0 HG LEU B 28 -7.039 -5.698 18.907 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.650 -6.218 19.314 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.871 -5.435 17.732 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.239 -4.499 19.107 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -6.148 -5.624 21.225 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.737 -3.906 21.012 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.441 -4.421 21.001 1.00 1.05 H new ATOM 1349 N GLY B 29 -9.137 -4.174 16.111 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.351 -4.983 15.802 1.00 0.32 C ATOM 1351 C GLY B 29 -11.014 -5.429 17.106 1.00 0.29 C ATOM 1352 O GLY B 29 -11.408 -6.569 17.254 1.00 0.29 O ATOM 0 H GLY B 29 -9.177 -3.198 15.817 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -11.051 -4.395 15.209 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -10.079 -5.853 15.204 1.00 0.32 H new ATOM 1356 N ILE B 30 -11.108 -4.552 18.065 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.710 -4.943 19.372 1.00 0.24 C ATOM 1358 C ILE B 30 -12.996 -4.157 19.633 1.00 0.23 C ATOM 1359 O ILE B 30 -13.095 -2.982 19.339 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.654 -4.604 20.421 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.366 -5.368 20.112 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.163 -5.006 21.807 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.691 -6.846 19.888 1.00 0.30 C ATOM 0 H ILE B 30 -10.795 -3.583 18.002 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.979 -5.999 19.392 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.456 -3.532 20.403 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.887 -4.952 19.226 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.660 -5.261 20.936 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.409 -4.764 22.556 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -12.082 -4.463 22.029 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.361 -6.078 21.825 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.773 -7.391 19.668 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.151 -7.258 20.786 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.381 -6.944 19.050 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.994 -4.819 20.146 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.301 -4.149 20.397 1.00 0.23 C ATOM 1377 C ALA B 31 -15.910 -4.667 21.702 1.00 0.20 C ATOM 1378 O ALA B 31 -15.469 -5.653 22.256 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.177 -4.541 19.209 1.00 0.23 C ATOM 0 H ALA B 31 -13.960 -5.805 20.405 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.203 -3.068 20.494 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.162 -4.086 19.317 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.715 -4.191 18.286 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.280 -5.626 19.175 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.918 -4.009 22.198 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.547 -4.464 23.471 1.00 0.21 C ATOM 1387 C GLU B 32 -17.949 -5.940 23.374 1.00 0.19 C ATOM 1388 O GLU B 32 -18.369 -6.411 22.337 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.786 -3.583 23.635 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.436 -3.861 24.991 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.731 -3.058 25.112 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -21.069 -2.368 24.165 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.365 -3.144 26.152 1.00 1.13 O ATOM 0 H GLU B 32 -17.334 -3.177 21.780 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.866 -4.379 24.318 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.509 -2.531 23.562 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.496 -3.783 22.832 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.645 -4.926 25.094 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.752 -3.591 25.796 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.868 -6.653 24.470 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.294 -8.088 24.496 1.00 0.20 C ATOM 1402 C LYS B 33 -17.262 -8.986 23.801 1.00 0.18 C ATOM 1403 O LYS B 33 -17.337 -10.196 23.878 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.634 -8.141 23.759 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.358 -9.442 24.112 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.669 -9.526 23.330 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.467 -10.746 23.799 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.674 -10.773 22.927 1.00 1.88 N ATOM 0 H LYS B 33 -17.520 -6.297 25.360 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.382 -8.452 25.520 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.248 -7.284 24.036 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.472 -8.083 22.683 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.726 -10.298 23.875 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.558 -9.480 25.183 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.252 -8.617 23.479 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.464 -9.601 22.262 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -21.885 -11.662 23.696 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -22.741 -10.658 24.850 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -24.272 -11.583 23.187 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -24.212 -9.891 23.051 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -23.382 -10.864 21.933 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.246 -8.414 23.214 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.162 -9.259 22.630 1.00 0.16 C ATOM 1424 C ASP B 34 -14.247 -9.780 23.740 1.00 0.19 C ATOM 1425 O ASP B 34 -14.342 -9.362 24.876 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.395 -8.338 21.686 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.232 -8.090 20.433 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.267 -8.722 20.298 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.822 -7.273 19.628 1.00 1.09 O ATOM 0 H ASP B 34 -16.119 -7.407 23.113 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.556 -10.130 22.107 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.173 -7.393 22.182 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.440 -8.789 21.416 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.427 -10.750 23.442 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.583 -11.361 24.510 1.00 0.28 C ATOM 1436 C ALA B 35 -11.129 -10.886 24.398 1.00 0.20 C ATOM 1437 O ALA B 35 -10.519 -10.960 23.350 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.675 -12.867 24.267 1.00 0.36 C ATOM 0 H ALA B 35 -13.304 -11.145 22.510 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.922 -11.081 25.507 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.079 -13.393 25.013 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.715 -13.185 24.343 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.297 -13.099 23.271 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.551 -10.479 25.495 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.109 -10.092 25.493 1.00 0.21 C ATOM 1446 C LEU B 36 -8.296 -11.138 26.254 1.00 0.19 C ATOM 1447 O LEU B 36 -8.698 -11.585 27.308 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.055 -8.760 26.239 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.117 -7.808 25.696 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.350 -6.696 26.718 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.633 -7.200 24.378 1.00 0.56 C ATOM 0 H LEU B 36 -11.017 -10.397 26.398 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.702 -10.019 24.484 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.215 -8.925 27.305 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.066 -8.314 26.130 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.046 -8.350 25.520 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.107 -6.009 26.341 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.690 -7.131 27.658 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.419 -6.154 26.885 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.392 -6.520 23.991 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.707 -6.651 24.549 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.455 -7.995 23.654 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.105 -11.432 25.816 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.232 -12.329 26.624 1.00 0.20 C ATOM 1465 C GLU B 37 -5.091 -11.525 27.249 1.00 0.18 C ATOM 1466 O GLU B 37 -4.606 -10.568 26.678 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.697 -13.371 25.641 1.00 0.24 C ATOM 1468 CG GLU B 37 -4.864 -14.407 26.397 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.253 -15.397 25.404 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.489 -15.237 24.217 1.00 1.07 O ATOM 1471 OE2 GLU B 37 -3.561 -16.298 25.846 1.00 1.17 O ATOM 0 H GLU B 37 -6.700 -11.095 24.943 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.771 -12.801 27.445 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.525 -13.860 25.127 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.088 -12.887 24.877 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.076 -13.911 26.964 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.489 -14.936 27.116 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.755 -11.826 28.472 1.00 0.20 N ATOM 1479 CA ILE B 38 -3.760 -10.998 29.205 1.00 0.20 C ATOM 1480 C ILE B 38 -2.464 -11.780 29.418 1.00 0.19 C ATOM 1481 O ILE B 38 -2.475 -12.930 29.824 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.420 -10.680 30.547 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -5.793 -10.049 30.304 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.542 -9.702 31.329 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -5.672 -8.944 29.252 1.00 0.84 C ATOM 0 H ILE B 38 -5.130 -12.615 28.998 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.495 -10.095 28.655 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.538 -11.600 31.120 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -6.499 -10.809 29.968 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.185 -9.638 31.234 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.013 -9.475 32.286 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.564 -10.150 31.503 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.423 -8.782 30.756 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -6.651 -8.496 29.081 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -4.980 -8.180 29.605 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -5.299 -9.368 28.320 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.356 -11.151 29.136 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.030 -11.814 29.291 1.00 0.20 C ATOM 1499 C TYR B 39 0.784 -11.107 30.379 1.00 0.20 C ATOM 1500 O TYR B 39 0.603 -9.932 30.630 1.00 0.19 O ATOM 1501 CB TYR B 39 0.651 -11.618 27.938 1.00 0.23 C ATOM 1502 CG TYR B 39 0.136 -12.617 26.938 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.206 -12.593 26.537 1.00 0.31 C ATOM 1504 CD2 TYR B 39 1.011 -13.562 26.398 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.670 -13.520 25.595 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.550 -14.489 25.460 1.00 0.36 C ATOM 1507 CZ TYR B 39 -0.790 -14.469 25.057 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.243 -15.386 24.132 1.00 0.45 O ATOM 0 H TYR B 39 -1.313 -10.189 28.799 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.119 -12.863 29.574 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.469 -10.606 27.576 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.730 -11.728 28.048 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -1.882 -11.861 26.954 1.00 0.31 H new ATOM 0 HD2 TYR B 39 2.046 -13.576 26.706 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.704 -13.504 25.284 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.228 -15.221 25.046 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.511 -15.630 23.528 1.00 0.45 H new ATOM 1518 N VAL B 40 1.762 -11.767 30.935 1.00 0.21 N ATOM 1519 CA VAL B 40 2.670 -11.069 31.892 1.00 0.21 C ATOM 1520 C VAL B 40 4.135 -11.322 31.527 1.00 0.21 C ATOM 1521 O VAL B 40 4.563 -12.448 31.368 1.00 0.23 O ATOM 1522 CB VAL B 40 2.343 -11.666 33.259 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.317 -11.112 34.301 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.914 -11.281 33.648 1.00 0.26 C ATOM 0 H VAL B 40 1.972 -12.752 30.771 1.00 0.21 H new ATOM 0 HA VAL B 40 2.528 -9.988 31.876 1.00 0.21 H new ATOM 0 HB VAL B 40 2.433 -12.751 33.216 1.00 0.24 H new ATOM 0 HG11 VAL B 40 3.085 -11.537 35.278 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.337 -11.377 34.023 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.223 -10.027 34.346 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.676 -11.705 34.623 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.829 -10.195 33.694 1.00 0.26 H new ATOM 0 HG23 VAL B 40 0.218 -11.668 32.904 1.00 0.26 H new ATOM 1534 N ASP B 41 4.916 -10.279 31.426 1.00 0.21 N ATOM 1535 CA ASP B 41 6.362 -10.454 31.107 1.00 0.21 C ATOM 1536 C ASP B 41 7.192 -9.371 31.803 1.00 0.24 C ATOM 1537 O ASP B 41 6.943 -8.193 31.649 1.00 0.26 O ATOM 1538 CB ASP B 41 6.456 -10.300 29.588 1.00 0.19 C ATOM 1539 CG ASP B 41 6.259 -8.831 29.210 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.455 -8.177 29.853 1.00 1.68 O ATOM 1541 OD2 ASP B 41 6.914 -8.386 28.281 1.00 1.77 O ATOM 0 H ASP B 41 4.614 -9.313 31.551 1.00 0.21 H new ATOM 0 HA ASP B 41 6.744 -11.417 31.445 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.426 -10.650 29.236 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.699 -10.916 29.102 1.00 0.19 H new ATOM 1546 N ASP B 42 8.226 -9.754 32.501 1.00 0.27 N ATOM 1547 CA ASP B 42 9.125 -8.739 33.122 1.00 0.32 C ATOM 1548 C ASP B 42 8.313 -7.649 33.834 1.00 0.32 C ATOM 1549 O ASP B 42 8.565 -6.472 33.671 1.00 0.37 O ATOM 1550 CB ASP B 42 9.906 -8.146 31.950 1.00 0.37 C ATOM 1551 CG ASP B 42 10.810 -7.019 32.453 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.885 -6.840 33.658 1.00 1.14 O ATOM 1553 OD2 ASP B 42 11.410 -6.355 31.626 1.00 1.21 O ATOM 0 H ASP B 42 8.487 -10.726 32.668 1.00 0.27 H new ATOM 0 HA ASP B 42 9.777 -9.178 33.877 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.505 -8.920 31.471 1.00 0.37 H new ATOM 0 HB3 ASP B 42 9.217 -7.764 31.197 1.00 0.37 H new ATOM 1558 N GLU B 43 7.381 -8.035 34.667 1.00 0.29 N ATOM 1559 CA GLU B 43 6.598 -7.027 35.447 1.00 0.30 C ATOM 1560 C GLU B 43 5.851 -6.077 34.507 1.00 0.29 C ATOM 1561 O GLU B 43 5.281 -5.091 34.931 1.00 0.30 O ATOM 1562 CB GLU B 43 7.633 -6.264 36.274 1.00 0.34 C ATOM 1563 CG GLU B 43 8.364 -7.236 37.201 1.00 1.17 C ATOM 1564 CD GLU B 43 9.345 -6.463 38.084 1.00 1.34 C ATOM 1565 OE1 GLU B 43 9.537 -5.285 37.829 1.00 1.68 O ATOM 1566 OE2 GLU B 43 9.887 -7.061 38.998 1.00 1.92 O ATOM 0 H GLU B 43 7.127 -9.007 34.842 1.00 0.29 H new ATOM 0 HA GLU B 43 5.844 -7.499 36.076 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.346 -5.768 35.615 1.00 0.34 H new ATOM 0 HB3 GLU B 43 7.144 -5.485 36.859 1.00 0.34 H new ATOM 0 HG2 GLU B 43 7.646 -7.773 37.821 1.00 1.17 H new ATOM 0 HG3 GLU B 43 8.898 -7.983 36.613 1.00 1.17 H new ATOM 1573 N LYS B 44 5.780 -6.409 33.248 1.00 0.29 N ATOM 1574 CA LYS B 44 4.989 -5.575 32.298 1.00 0.30 C ATOM 1575 C LYS B 44 3.778 -6.368 31.800 1.00 0.27 C ATOM 1576 O LYS B 44 3.793 -7.582 31.772 1.00 0.26 O ATOM 1577 CB LYS B 44 5.942 -5.269 31.144 1.00 0.34 C ATOM 1578 CG LYS B 44 7.142 -4.475 31.667 1.00 1.29 C ATOM 1579 CD LYS B 44 7.968 -3.962 30.487 1.00 1.23 C ATOM 1580 CE LYS B 44 8.564 -5.150 29.726 1.00 1.90 C ATOM 1581 NZ LYS B 44 10.038 -4.943 29.784 1.00 2.00 N ATOM 0 H LYS B 44 6.236 -7.223 32.835 1.00 0.29 H new ATOM 0 HA LYS B 44 4.611 -4.663 32.760 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.280 -6.197 30.682 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.424 -4.699 30.372 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.800 -3.638 32.276 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.757 -5.106 32.308 1.00 1.29 H new ATOM 0 HD2 LYS B 44 7.341 -3.368 29.822 1.00 1.23 H new ATOM 0 HD3 LYS B 44 8.764 -3.308 30.843 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.280 -6.096 30.186 1.00 1.90 H new ATOM 0 HE3 LYS B 44 8.209 -5.177 28.696 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 10.497 -5.506 29.040 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 10.253 -3.936 29.639 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 10.394 -5.243 30.714 1.00 2.00 H new ATOM 1595 N ILE B 45 2.710 -5.701 31.468 1.00 0.28 N ATOM 1596 CA ILE B 45 1.481 -6.432 31.046 1.00 0.26 C ATOM 1597 C ILE B 45 1.340 -6.403 29.522 1.00 0.26 C ATOM 1598 O ILE B 45 1.348 -5.354 28.912 1.00 0.29 O ATOM 1599 CB ILE B 45 0.331 -5.669 31.700 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.570 -5.586 33.209 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -0.985 -6.401 31.433 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.400 -4.576 33.823 1.00 1.24 C ATOM 0 H ILE B 45 2.633 -4.684 31.470 1.00 0.28 H new ATOM 0 HA ILE B 45 1.503 -7.481 31.342 1.00 0.26 H new ATOM 0 HB ILE B 45 0.278 -4.663 31.283 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.429 -6.566 33.665 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.599 -5.287 33.409 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.806 -5.856 31.900 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.155 -6.463 30.358 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -0.933 -7.407 31.850 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.231 -4.516 34.898 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.237 -3.596 33.375 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.425 -4.895 33.634 1.00 1.24 H new ATOM 1614 N ILE B 46 1.146 -7.541 28.914 1.00 0.26 N ATOM 1615 CA ILE B 46 0.927 -7.578 27.439 1.00 0.29 C ATOM 1616 C ILE B 46 -0.508 -8.013 27.131 1.00 0.28 C ATOM 1617 O ILE B 46 -0.941 -9.077 27.521 1.00 0.31 O ATOM 1618 CB ILE B 46 1.930 -8.613 26.922 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.348 -8.060 27.069 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.648 -8.924 25.451 1.00 0.37 C ATOM 1621 CD1 ILE B 46 4.331 -9.225 27.204 1.00 0.50 C ATOM 0 H ILE B 46 1.130 -8.450 29.376 1.00 0.26 H new ATOM 0 HA ILE B 46 1.068 -6.604 26.970 1.00 0.29 H new ATOM 0 HB ILE B 46 1.833 -9.531 27.502 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.605 -7.450 26.203 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.410 -7.413 27.944 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.366 -9.661 25.091 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.638 -9.322 25.350 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.739 -8.011 24.862 1.00 0.37 H new ATOM 0 HD11 ILE B 46 5.344 -8.836 27.309 1.00 0.50 H new ATOM 0 HD12 ILE B 46 4.076 -9.816 28.084 1.00 0.50 H new ATOM 0 HD13 ILE B 46 4.274 -9.854 26.315 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.254 -7.197 26.439 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.663 -7.571 26.118 1.00 0.29 C ATOM 1635 C LEU B 47 -2.828 -7.759 24.610 1.00 0.31 C ATOM 1636 O LEU B 47 -2.383 -6.946 23.822 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.512 -6.396 26.602 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.276 -6.171 28.095 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.957 -5.422 28.298 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.425 -5.340 28.670 1.00 1.23 C ATOM 0 H LEU B 47 -0.952 -6.290 26.082 1.00 0.28 H new ATOM 0 HA LEU B 47 -2.956 -8.507 26.593 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.256 -5.496 26.044 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.567 -6.597 26.417 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.229 -7.133 28.604 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.790 -5.262 29.363 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.137 -6.011 27.886 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.003 -4.459 27.789 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.259 -5.178 29.735 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.470 -4.378 28.159 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.366 -5.871 28.526 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.490 -8.806 24.204 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.716 -9.028 22.748 1.00 0.34 C ATOM 1654 C LYS B 48 -5.120 -9.587 22.510 1.00 0.27 C ATOM 1655 O LYS B 48 -5.763 -10.077 23.417 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.654 -10.047 22.329 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.947 -11.400 22.979 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.884 -12.409 22.545 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.488 -13.815 22.543 1.00 1.54 C ATOM 1660 NZ LYS B 48 -3.567 -13.768 21.518 1.00 1.74 N ATOM 0 H LYS B 48 -3.885 -9.519 24.818 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.641 -8.104 22.174 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.644 -10.149 21.244 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.665 -9.698 22.626 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.950 -11.302 24.065 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.937 -11.750 22.688 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.514 -12.159 21.551 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.031 -12.369 23.222 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -1.739 -14.566 22.293 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -2.886 -14.075 23.524 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -3.703 -14.716 21.114 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -4.453 -13.450 21.961 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -3.300 -13.105 20.763 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.585 -9.561 21.291 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.927 -10.140 20.997 1.00 0.25 C ATOM 1676 C LYS B 49 -6.961 -11.613 21.404 1.00 0.22 C ATOM 1677 O LYS B 49 -5.954 -12.292 21.396 1.00 0.24 O ATOM 1678 CB LYS B 49 -7.107 -9.997 19.487 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.508 -10.470 19.094 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.667 -10.386 17.575 1.00 0.54 C ATOM 1681 CE LYS B 49 -10.115 -10.702 17.195 1.00 1.08 C ATOM 1682 NZ LYS B 49 -10.066 -11.042 15.746 1.00 1.65 N ATOM 0 H LYS B 49 -5.096 -9.165 20.488 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.722 -9.636 21.546 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.966 -8.958 19.190 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.353 -10.584 18.963 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.665 -11.495 19.431 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.262 -9.854 19.584 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.397 -9.390 17.225 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.991 -11.089 17.088 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.505 -11.533 17.783 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.767 -9.848 17.378 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -11.023 -11.271 15.411 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.697 -10.230 15.211 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.443 -11.863 15.603 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.095 -12.090 21.834 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.168 -13.495 22.329 1.00 0.22 C ATOM 1698 C TYR B 50 -8.842 -14.397 21.292 1.00 0.25 C ATOM 1699 O TYR B 50 -9.991 -14.213 20.947 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.015 -13.417 23.598 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.161 -14.798 24.192 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.138 -15.740 24.031 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.319 -15.135 24.901 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.275 -17.021 24.581 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.456 -16.416 25.450 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.433 -17.358 25.290 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.569 -18.619 25.832 1.00 0.65 O ATOM 0 H TYR B 50 -8.973 -11.571 21.865 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.180 -13.917 22.516 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.547 -12.747 24.319 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -9.997 -13.003 23.368 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.244 -15.479 23.483 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.107 -14.407 25.025 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.487 -17.749 24.458 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.350 -16.677 25.996 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.432 -18.686 26.292 1.00 0.65 H new